| 3397 | | > select #5.2/l:20 |
| 3398 | | |
| 3399 | | 20 atoms, 20 bonds, 1 residue, 1 model selected |
| 3400 | | |
| 3401 | | > select #5.2/l:20-29 |
| 3402 | | |
| 3403 | | 156 atoms, 159 bonds, 10 residues, 1 model selected |
| 3404 | | |
| 3405 | | > isolde sim start #5.2/l:24 |
| 3406 | | |
| 3407 | | ISOLDE: started sim |
| 3408 | | |
| 3409 | | > isolde sim stop |
| 3410 | | |
| 3411 | | Sim termination reason: None |
| 3412 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3413 | | chains... |
| 3414 | | ISOLDE: stopped sim |
| 3415 | | |
| 3416 | | > volume #5.1.1.1 level 0.3242 |
| 3417 | | |
| 3418 | | > isolde sim start #5.2/l:28-31 |
| 3419 | | |
| 3420 | | ISOLDE: started sim |
| 3421 | | |
| 3422 | | > isolde sim stop |
| 3423 | | |
| 3424 | | Sim termination reason: None |
| 3425 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3426 | | chains... |
| 3427 | | ISOLDE: stopped sim |
| 3428 | | |
| 3429 | | > volume #5.1.1.1 level 0.2491 |
| 3430 | | |
| 3431 | | > isolde sim start #5.2/l:31 |
| 3432 | | |
| 3433 | | ISOLDE: started sim |
| 3434 | | |
| 3435 | | > isolde sim pause |
| 3436 | | |
| 3437 | | > isolde sim stop discardTo start |
| 3438 | | |
| 3439 | | Sim termination reason: None |
| 3440 | | reverting to start |
| 3441 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3442 | | chains... |
| 3443 | | ISOLDE: stopped sim |
| 3444 | | |
| 3445 | | > show #!1 models |
| 3446 | | |
| 3447 | | > hide #!1 models |
| 3448 | | |
| 3449 | | > volume #5.1.1.1 level 0.2563 |
| 3450 | | |
| 3451 | | > show #!1 models |
| 3452 | | |
| 3453 | | > hide #!1 models |
| 3454 | | |
| 3455 | | > isolde sim start #5.2/l:31-35 |
| 3456 | | |
| 3457 | | ISOLDE: started sim |
| 3458 | | |
| 3459 | | > isolde cisflip #5.2/l:32 |
| 3460 | | |
| 3461 | | [Repeated 1 time(s)] |
| 3462 | | |
| 3463 | | > isolde sim pause |
| 3464 | | |
| 3465 | | > isolde sim resume |
| 3466 | | |
| 3467 | | > isolde sim pause |
| 3468 | | |
| 3469 | | > isolde sim resume |
| 3470 | | |
| 3471 | | > isolde cisflip #5.2/l:32 |
| 3472 | | |
| 3473 | | [Repeated 1 time(s)] |
| 3474 | | |
| 3475 | | > isolde sim pause |
| 3476 | | |
| 3477 | | > isolde sim resume |
| 3478 | | |
| 3479 | | > isolde sim pause |
| 3480 | | |
| 3481 | | > isolde sim resume |
| 3482 | | |
| 3483 | | > isolde sim pause |
| 3484 | | |
| 3485 | | > isolde sim resume |
| 3486 | | |
| 3487 | | > isolde sim stop discardTo start |
| 3488 | | |
| 3489 | | Sim termination reason: None |
| 3490 | | reverting to start |
| 3491 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3492 | | chains... |
| 3493 | | ISOLDE: stopped sim |
| 3494 | | |
| 3495 | | > isolde sim start #5.2/l:31-35 |
| 3496 | | |
| 3497 | | ISOLDE: started sim |
| 3498 | | |
| 3499 | | > isolde sim pause |
| 3500 | | |
| 3501 | | > isolde sim stop |
| 3502 | | |
| 3503 | | Sim termination reason: None |
| 3504 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3505 | | chains... |
| 3506 | | ISOLDE: stopped sim |
| 3507 | | |
| 3508 | | > show #!1 models |
| 3509 | | |
| 3510 | | > hide #!1 models |
| 3511 | | |
| 3512 | | > volume #5.1.1.1 level 0.06023 |
| 3513 | | |
| 3514 | | > volume #5.1.1.1 level 0.01654 |
| 3515 | | |
| 3516 | | > isolde sim start #5.2/l:38-40 |
| 3517 | | |
| 3518 | | ISOLDE: started sim |
| 3519 | | |
| 3520 | | > isolde sim pause |
| 3521 | | |
| 3522 | | > volume #5.1.1.1 level 0.06996 |
| 3523 | | |
| 3524 | | > volume #5.1.1.2 level 0.01354 |
| 3525 | | |
| 3526 | | > show #!1 models |
| 3527 | | |
| 3528 | | > hide #!1 models |
| 3529 | | |
| 3530 | | > show #!1 models |
| 3531 | | |
| 3532 | | > hide #!1 models |
| 3533 | | |
| 3534 | | > isolde sim resume |
| 3535 | | |
| 3536 | | > isolde sim pause |
| 3537 | | |
| 3538 | | > volume #5.1.1.1 level 0.01221 |
| 3539 | | |
| 3540 | | > volume #5.1.1.1 level 0.02953 |
| 3541 | | |
| 3542 | | > isolde sim resume |
| 3543 | | |
| 3544 | | > isolde sim stop |
| 3545 | | |
| 3546 | | Sim termination reason: None |
| 3547 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3548 | | chains... |
| 3549 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #5.2 to IUPAC-IUB |
| 3550 | | standards. |
| 3551 | | ISOLDE: stopped sim |
| 3552 | | |
| 3553 | | > isolde sim start #5.2/l:37 |
| 3554 | | |
| 3555 | | ISOLDE: started sim |
| 3556 | | |
| 3557 | | > isolde sim pause |
| 3558 | | |
| 3559 | | > show #!1 models |
| 3560 | | |
| 3561 | | > hide #!1 models |
| 3562 | | |
| 3563 | | > isolde sim resume |
| 3564 | | |
| 3565 | | > isolde sim pause |
| 3566 | | |
| 3567 | | > isolde sim stop |
| 3568 | | |
| 3569 | | Sim termination reason: None |
| 3570 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3571 | | chains... |
| 3572 | | ISOLDE: stopped sim |
| 3573 | | |
| 3574 | | > isolde sim start #5.2/l:41 |
| 3575 | | |
| 3576 | | ISOLDE: started sim |
| 3577 | | |
| 3578 | | > isolde sim stop |
| 3579 | | |
| 3580 | | Sim termination reason: None |
| 3581 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3582 | | chains... |
| 3583 | | ISOLDE: stopped sim |
| 3584 | | |
| 3585 | | > select #5.2/l:40 |
| 3586 | | |
| 3587 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 3588 | | |
| 3589 | | > select #5.2/l:40-47 |
| 3590 | | |
| 3591 | | 136 atoms, 135 bonds, 8 residues, 1 model selected |
| 3592 | | |
| 3593 | | > select #5.2/l:39 |
| 3594 | | |
| 3595 | | 12 atoms, 11 bonds, 1 residue, 1 model selected |
| 3596 | | |
| 3597 | | > select #5.2/l:39-43 |
| 3598 | | |
| 3599 | | 71 atoms, 70 bonds, 5 residues, 1 model selected |
| 3600 | | |
| 3601 | | > isolde sim start #5.2/l:39-43 |
| 3602 | | |
| 3603 | | ISOLDE: started sim |
| 3604 | | |
| 3605 | | > volume #5.1.1.1 level 0.06419 |
| 3606 | | |
| 3607 | | > isolde sim pause |
| 3608 | | |
| 3609 | | > isolde sim resume |
| 3610 | | |
| 3611 | | > isolde sim pause |
| 3612 | | |
| 3613 | | > isolde sim resume |
| 3614 | | |
| 3615 | | > isolde sim pause |
| 3616 | | |
| 3617 | | > isolde sim stop |
| 3618 | | |
| 3619 | | Sim termination reason: None |
| 3620 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3621 | | chains... |
| 3622 | | ISOLDE: stopped sim |
| 3623 | | |
| 3624 | | > isolde sim start #5.2/l:46 |
| 3625 | | |
| 3626 | | ISOLDE: started sim |
| 3627 | | |
| 3628 | | > isolde sim pause |
| 3629 | | |
| 3630 | | > isolde sim stop discardTo start |
| 3631 | | |
| 3632 | | Sim termination reason: None |
| 3633 | | reverting to start |
| 3634 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3635 | | chains... |
| 3636 | | ISOLDE: stopped sim |
| 3637 | | |
| 3638 | | > select #5.2/l:46 |
| 3639 | | |
| 3640 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 3641 | | |
| 3642 | | > select #5.2/l:46-52 |
| 3643 | | |
| 3644 | | 129 atoms, 130 bonds, 7 residues, 1 model selected |
| 3645 | | |
| 3646 | | > volume #5.1.1.1 level 0.192 |
| 3647 | | |
| 3648 | | > isolde sim start #5.2/l:55-57 |
| 3649 | | |
| 3650 | | ISOLDE: started sim |
| 3651 | | |
| 3652 | | > show #!1 models |
| 3653 | | |
| 3654 | | > hide #!1 models |
| 3655 | | |
| 3656 | | > isolde sim stop discardTo start |
| 3657 | | |
| 3658 | | Sim termination reason: None |
| 3659 | | reverting to start |
| 3660 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3661 | | chains... |
| 3662 | | ISOLDE: stopped sim |
| 3663 | | |
| 3664 | | > show #!1 models |
| 3665 | | |
| 3666 | | > hide #!1 models |
| 3667 | | |
| 3668 | | > isolde sim start #5.2/l:54-58 |
| 3669 | | |
| 3670 | | ISOLDE: started sim |
| 3671 | | |
| 3672 | | > isolde sim pause |
| 3673 | | |
| 3674 | | > isolde sim resume |
| 3675 | | |
| 3676 | | > isolde sim pause |
| 3677 | | |
| 3678 | | > isolde sim resume |
| 3679 | | |
| 3680 | | > isolde sim pause |
| 3681 | | |
| 3682 | | > volume #5.1.1.2 level 0.1252 |
| 3683 | | |
| 3684 | | > show #!1 models |
| 3685 | | |
| 3686 | | > hide #!1 models |
| 3687 | | |
| 3688 | | > show #!1 models |
| 3689 | | |
| 3690 | | > hide #!1 models |
| 3691 | | |
| 3692 | | > isolde sim resume |
| 3693 | | |
| 3694 | | > isolde sim pause |
| 3695 | | |
| 3696 | | > isolde sim stop |
| 3697 | | |
| 3698 | | Sim termination reason: None |
| 3699 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3700 | | chains... |
| 3701 | | ISOLDE: stopped sim |
| 3702 | | |
| 3703 | | > select #5.2/l:58 |
| 3704 | | |
| 3705 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 3706 | | |
| 3707 | | > select #5.2/l:58-63 |
| 3708 | | |
| 3709 | | 107 atoms, 108 bonds, 6 residues, 1 model selected |
| 3710 | | |
| 3711 | | > isolde sim start #5.2/l:62 |
| 3712 | | |
| 3713 | | ISOLDE: started sim |
| 3714 | | |
| 3715 | | > isolde sim pause |
| 3716 | | |
| 3717 | | > isolde sim stop discardTo start |
| 3718 | | |
| 3719 | | Sim termination reason: None |
| 3720 | | reverting to start |
| 3721 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3722 | | chains... |
| 3723 | | ISOLDE: stopped sim |
| 3724 | | |
| 3725 | | > select clear |
| 3726 | | |
| 3727 | | [Repeated 1 time(s)] |
| 3728 | | |
| 3729 | | > isolde sim start #5.2/l:69,71-72 |
| 3730 | | |
| 3731 | | ISOLDE: started sim |
| 3732 | | |
| 3733 | | > isolde sim pause |
| 3734 | | |
| 3735 | | > isolde sim resume |
| 3736 | | |
| 3737 | | > isolde sim pause |
| 3738 | | |
| 3739 | | > isolde sim stop |
| 3740 | | |
| 3741 | | Sim termination reason: None |
| 3742 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3743 | | chains... |
| 3744 | | ISOLDE: stopped sim |
| 3745 | | |
| 3746 | | > volume #5.1.1.1 level 0.2442 |
| 3747 | | |
| 3748 | | > volume #5.1.1.1 level 0.2055 |
| 3749 | | |
| 3750 | | > volume #5.1.1.2 level 0.1494 |
| 3751 | | |
| 3752 | | > volume #5.1.1.1 level 0.1122 |
| 3753 | | |
| 3754 | | > isolde sim start #5.2/l:77 |
| 3755 | | |
| 3756 | | ISOLDE: started sim |
| 3757 | | |
| 3758 | | > isolde sim stop |
| 3759 | | |
| 3760 | | Sim termination reason: None |
| 3761 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3762 | | chains... |
| 3763 | | ISOLDE: stopped sim |
| 3764 | | |
| 3765 | | > isolde sim start #5.2/l:79-81 |
| 3766 | | |
| 3767 | | ISOLDE: started sim |
| 3768 | | |
| 3769 | | > isolde sim pause |
| 3770 | | |
| 3771 | | > isolde sim resume |
| 3772 | | |
| 3773 | | > isolde sim pause |
| 3774 | | |
| 3775 | | > isolde sim stop |
| 3776 | | |
| 3777 | | Sim termination reason: None |
| 3778 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3779 | | chains... |
| 3780 | | ISOLDE: stopped sim |
| 3781 | | |
| 3782 | | > isolde sim start #5.2/l:84 |
| 3783 | | |
| 3784 | | ISOLDE: started sim |
| 3785 | | |
| 3786 | | > isolde sim pause |
| 3787 | | |
| 3788 | | > isolde sim stop |
| 3789 | | |
| 3790 | | Sim termination reason: None |
| 3791 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3792 | | chains... |
| 3793 | | ISOLDE: stopped sim |
| 3794 | | |
| 3795 | | > volume #5.1.1.1 level 0.336 |
| 3796 | | |
| 3797 | | > isolde sim start #5.2/l:86 |
| 3798 | | |
| 3799 | | ISOLDE: started sim |
| 3800 | | |
| 3801 | | > isolde sim stop discardTo start |
| 3802 | | |
| 3803 | | Sim termination reason: None |
| 3804 | | reverting to start |
| 3805 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3806 | | chains... |
| 3807 | | ISOLDE: stopped sim |
| 3808 | | |
| 3809 | | > isolde sim start #5.2/l:86/n:281 |
| 3810 | | |
| 3811 | | ISOLDE: started sim |
| 3812 | | |
| 3813 | | > isolde sim pause |
| 3814 | | |
| 3815 | | > isolde sim stop discardTo start |
| 3816 | | |
| 3817 | | Sim termination reason: None |
| 3818 | | reverting to start |
| 3819 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3820 | | chains... |
| 3821 | | ISOLDE: stopped sim |
| 3822 | | |
| 3823 | | > select #5.2/l:88 |
| 3824 | | |
| 3825 | | 12 atoms, 11 bonds, 1 residue, 1 model selected |
| 3826 | | |
| 3827 | | > select #5.2/l:88-93 |
| 3828 | | |
| 3829 | | 89 atoms, 90 bonds, 6 residues, 1 model selected |
| 3830 | | |
| 3831 | | > isolde sim start #5.2/l:95 |
| 3832 | | |
| 3833 | | ISOLDE: started sim |
| 3834 | | |
| 3835 | | > select clear |
| 3836 | | |
| 3837 | | [Repeated 1 time(s)] |
| 3838 | | |
| 3839 | | > isolde sim stop |
| 3840 | | |
| 3841 | | Sim termination reason: None |
| 3842 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3843 | | chains... |
| 3844 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #5.2 to IUPAC-IUB |
| 3845 | | standards. |
| 3846 | | ISOLDE: stopped sim |
| 3847 | | |
| 3848 | | > isolde sim start #5.2/l:105 |
| 3849 | | |
| 3850 | | ISOLDE: started sim |
| 3851 | | |
| 3852 | | > isolde sim pause |
| 3853 | | |
| 3854 | | > isolde sim stop |
| 3855 | | |
| 3856 | | Sim termination reason: None |
| 3857 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3858 | | chains... |
| 3859 | | ISOLDE: stopped sim |
| 3860 | | |
| 3861 | | > isolde sim start #5.2/l:107-108 |
| 3862 | | |
| 3863 | | ISOLDE: started sim |
| 3864 | | |
| 3865 | | > isolde sim pause |
| 3866 | | |
| 3867 | | > isolde sim stop |
| 3868 | | |
| 3869 | | Sim termination reason: None |
| 3870 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3871 | | chains... |
| 3872 | | ISOLDE: stopped sim |
| 3873 | | |
| 3874 | | > select #5.2/l:109 |
| 3875 | | |
| 3876 | | 7 atoms, 6 bonds, 1 residue, 1 model selected |
| 3877 | | |
| 3878 | | > select #5.2/l:109-121 |
| 3879 | | |
| 3880 | | 193 atoms, 192 bonds, 13 residues, 1 model selected |
| 3881 | | |
| 3882 | | > isolde sim start #5.2/l:125-129 |
| 3883 | | |
| 3884 | | ISOLDE: started sim |
| 3885 | | |
| 3886 | | > volume #5.1.1.1 level 0.1988 |
| 3887 | | |
| 3888 | | > isolde sim pause |
| 3889 | | |
| 3890 | | > isolde sim resume |
| 3891 | | |
| 3892 | | > isolde sim pause |
| 3893 | | |
| 3894 | | > isolde sim resume |
| 3895 | | |
| 3896 | | > isolde sim pause |
| 3897 | | |
| 3898 | | > isolde sim resume |
| 3899 | | |
| 3900 | | > isolde sim pause |
| 3901 | | |
| 3902 | | > isolde sim resume |
| 3903 | | |
| 3904 | | > isolde sim pause |
| 3905 | | |
| 3906 | | > show #!1 models |
| 3907 | | |
| 3908 | | > hide #!1 models |
| 3909 | | |
| 3910 | | > isolde sim stop |
| 3911 | | |
| 3912 | | Sim termination reason: None |
| 3913 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3914 | | chains... |
| 3915 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #5.2 to IUPAC-IUB |
| 3916 | | standards. |
| 3917 | | ISOLDE: stopped sim |
| 3918 | | |
| 3919 | | > select #5.2/l:129 |
| 3920 | | |
| 3921 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 3922 | | |
| 3923 | | > select #5.2/l:129-134 |
| 3924 | | |
| 3925 | | 91 atoms, 91 bonds, 6 residues, 1 model selected |
| 3926 | | |
| 3927 | | > isolde sim start #5.2/l:129-134 |
| 3928 | | |
| 3929 | | ISOLDE: started sim |
| 3930 | | |
| 3931 | | > isolde sim pause |
| 3932 | | |
| 3933 | | > isolde sim resume |
| 3934 | | |
| 3935 | | > isolde sim pause |
| 3936 | | |
| 3937 | | > isolde sim stop |
| 3938 | | |
| 3939 | | Sim termination reason: None |
| 3940 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3941 | | chains... |
| 3942 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #5.2 to IUPAC-IUB |
| 3943 | | standards. |
| 3944 | | ISOLDE: stopped sim |
| 3945 | | |
| 3946 | | > isolde sim start #5.2/l:129-134,144-146 |
| 3947 | | |
| 3948 | | ISOLDE: started sim |
| 3949 | | |
| 3950 | | > isolde sim pause |
| 3951 | | |
| 3952 | | > isolde sim stop |
| 3953 | | |
| 3954 | | Sim termination reason: None |
| 3955 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3956 | | chains... |
| 3957 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #5.2 to IUPAC-IUB |
| 3958 | | standards. |
| 3959 | | ISOLDE: stopped sim |
| 3960 | | |
| 3961 | | > isolde sim start #5.2/l:129-134,142-146 |
| 3962 | | |
| 3963 | | ISOLDE: started sim |
| 3964 | | |
| 3965 | | > isolde sim stop discardTo start |
| 3966 | | |
| 3967 | | Sim termination reason: None |
| 3968 | | reverting to start |
| 3969 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3970 | | chains... |
| 3971 | | ISOLDE: stopped sim |
| 3972 | | |
| 3973 | | > isolde sim start #5.2/l:129-134,139-146 |
| 3974 | | |
| 3975 | | ISOLDE: started sim |
| 3976 | | |
| 3977 | | > show #!1 models |
| 3978 | | |
| 3979 | | > hide #!1 models |
| 3980 | | |
| 3981 | | > isolde sim stop discardTo start |
| 3982 | | |
| 3983 | | Sim termination reason: None |
| 3984 | | reverting to start |
| 3985 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3986 | | chains... |
| 3987 | | ISOLDE: stopped sim |
| 3988 | | |
| 3989 | | > isolde sim start #5.2/l:172-174 |
| 3990 | | |
| 3991 | | ISOLDE: started sim |
| 3992 | | |
| 3993 | | > isolde sim pause |
| 3994 | | |
| 3995 | | > isolde sim stop |
| 3996 | | |
| 3997 | | Sim termination reason: None |
| 3998 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 3999 | | chains... |
| 4000 | | ISOLDE: stopped sim |
| 4001 | | |
| 4002 | | > volume #5.1.1.1 level 0.3729 |
| 4003 | | |
| 4004 | | > isolde sim start #5.2/l:172-176 |
| 4005 | | |
| 4006 | | ISOLDE: started sim |
| 4007 | | |
| 4008 | | > isolde sim pause |
| 4009 | | |
| 4010 | | > isolde sim resume |
| 4011 | | |
| 4012 | | > isolde sim pause |
| 4013 | | |
| 4014 | | > isolde sim resume |
| 4015 | | |
| 4016 | | > isolde sim pause |
| 4017 | | |
| 4018 | | > isolde sim resume |
| 4019 | | |
| 4020 | | > isolde sim pause |
| 4021 | | |
| 4022 | | > volume #5.1.1.1 level 0.152 |
| 4023 | | |
| 4024 | | > isolde sim stop |
| 4025 | | |
| 4026 | | Sim termination reason: None |
| 4027 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4028 | | chains... |
| 4029 | | ISOLDE: stopped sim |
| 4030 | | |
| 4031 | | > volume #5.1.1.1 level 0.3985 |
| 4032 | | |
| 4033 | | > isolde sim start #5.2/l:191,193 |
| 4034 | | |
| 4035 | | ISOLDE: started sim |
| 4036 | | |
| 4037 | | > isolde sim pause |
| 4038 | | |
| 4039 | | > isolde sim resume |
| 4040 | | |
| 4041 | | > isolde sim pause |
| 4042 | | |
| 4043 | | > isolde sim resume |
| 4044 | | |
| 4045 | | > isolde sim pause |
| 4046 | | |
| 4047 | | > isolde sim resume |
| 4048 | | |
| 4049 | | > isolde sim pause |
| 4050 | | |
| 4051 | | > isolde sim resume |
| 4052 | | |
| 4053 | | > isolde sim pause |
| 4054 | | |
| 4055 | | > isolde sim stop |
| 4056 | | |
| 4057 | | Sim termination reason: None |
| 4058 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4059 | | chains... |
| 4060 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #5.2 to IUPAC-IUB |
| 4061 | | standards. |
| 4062 | | ISOLDE: stopped sim |
| 4063 | | |
| 4064 | | > select #5.2/l:194 |
| 4065 | | |
| 4066 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 4067 | | |
| 4068 | | > select #5.2/l:194-204 |
| 4069 | | |
| 4070 | | 161 atoms, 161 bonds, 11 residues, 1 model selected |
| 4071 | | |
| 4072 | | > isolde sim start #5.2/l:199 |
| 4073 | | |
| 4074 | | ISOLDE: started sim |
| 4075 | | |
| 4076 | | > isolde sim stop discardTo start |
| 4077 | | |
| 4078 | | Sim termination reason: None |
| 4079 | | reverting to start |
| 4080 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4081 | | chains... |
| 4082 | | ISOLDE: stopped sim |
| 4083 | | |
| 4084 | | > isolde sim start #5.2/l:199 |
| 4085 | | |
| 4086 | | ISOLDE: started sim |
| 4087 | | |
| 4088 | | > isolde sim pause |
| 4089 | | |
| 4090 | | > select #5.2/l:199 |
| 4091 | | |
| 4092 | | 14 atoms, 13 bonds, 1 residue, 1 model selected |
| 4093 | | |
| 4094 | | > select #5.2/l:199-206 |
| 4095 | | |
| 4096 | | 116 atoms, 116 bonds, 8 residues, 1 model selected |
| 4097 | | |
| 4098 | | > isolde sim stop |
| 4099 | | |
| 4100 | | Sim termination reason: None |
| 4101 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4102 | | chains... |
| 4103 | | ISOLDE: stopped sim |
| 4104 | | |
| 4105 | | > volume #5.1.1.1 level 0.2804 |
| 4106 | | |
| 4107 | | > select #5.2/l:205 |
| 4108 | | |
| 4109 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 4110 | | |
| 4111 | | > select #5.2/l:205-214 |
| 4112 | | |
| 4113 | | 165 atoms, 166 bonds, 10 residues, 1 model selected |
| 4114 | | |
| 4115 | | > isolde sim start #5.2/l:205-214 |
| 4116 | | |
| 4117 | | ISOLDE: started sim |
| 4118 | | |
| 4119 | | > isolde sim pause |
| 4120 | | |
| 4121 | | > isolde sim resume |
| 4122 | | |
| 4123 | | > isolde sim pause |
| 4124 | | |
| 4125 | | > volume #5.1.1.1 level 0.2234 |
| 4126 | | |
| 4127 | | > isolde sim stop |
| 4128 | | |
| 4129 | | Sim termination reason: None |
| 4130 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4131 | | chains... |
| 4132 | | ISOLDE: stopped sim |
| 4133 | | |
| 4134 | | > select clear |
| 4135 | | |
| 4136 | | > isolde sim start #5.2/l:211-219 |
| 4137 | | |
| 4138 | | ISOLDE: started sim |
| 4139 | | |
| 4140 | | > select #5.2/l:211 |
| 4141 | | |
| 4142 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 4143 | | |
| 4144 | | > select #5.2/l:211-215 |
| 4145 | | |
| 4146 | | 88 atoms, 88 bonds, 5 residues, 1 model selected |
| 4147 | | |
| 4148 | | > isolde sim resume |
| 4149 | | |
| 4150 | | > isolde sim stop discardTo start |
| 4151 | | |
| 4152 | | Sim termination reason: None |
| 4153 | | reverting to start |
| 4154 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4155 | | chains... |
| 4156 | | ISOLDE: stopped sim |
| 4157 | | |
| 4158 | | > isolde sim start #5.2/l:211-215 |
| 4159 | | |
| 4160 | | ISOLDE: started sim |
| 4161 | | |
| 4162 | | > volume #5.1.1.1 level 0.03169 |
| 4163 | | |
| 4164 | | > select clear |
| 4165 | | |
| 4166 | | > volume #5.1.1.1 level 0.1722 |
| 4167 | | |
| 4168 | | > isolde sim pause |
| 4169 | | |
| 4170 | | > isolde sim stop |
| 4171 | | |
| 4172 | | Sim termination reason: None |
| 4173 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4174 | | chains... |
| 4175 | | ISOLDE: stopped sim |
| 4176 | | |
| 4177 | | > isolde sim start #5.2/l:216-220 |
| 4178 | | |
| 4179 | | ISOLDE: started sim |
| 4180 | | |
| 4181 | | > isolde sim pause |
| 4182 | | |
| 4183 | | > volume #5.1.1.1 level 0.1283 |
| 4184 | | |
| 4185 | | > isolde sim stop |
| 4186 | | |
| 4187 | | Sim termination reason: None |
| 4188 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4189 | | chains... |
| 4190 | | ISOLDE: stopped sim |
| 4191 | | |
| 4192 | | > show #!1 models |
| 4193 | | |
| 4194 | | > hide #!1 models |
| 4195 | | |
| 4196 | | > show #!1 models |
| 4197 | | |
| 4198 | | > show #!2 models |
| 4199 | | |
| 4200 | | > hide #!1 models |
| 4201 | | |
| 4202 | | > hide #!2 models |
| 4203 | | |
| 4204 | | > select #5.2/l:219 |
| 4205 | | |
| 4206 | | 14 atoms, 13 bonds, 1 residue, 1 model selected |
| 4207 | | |
| 4208 | | > select #5.2/l:219-227 |
| 4209 | | |
| 4210 | | 132 atoms, 134 bonds, 9 residues, 1 model selected |
| 4211 | | |
| 4212 | | > select clear |
| 4213 | | |
| 4214 | | [Repeated 2 time(s)] |
| 4215 | | |
| 4216 | | > select #5.2/l:221 |
| 4217 | | |
| 4218 | | 14 atoms, 13 bonds, 1 residue, 1 model selected |
| 4219 | | |
| 4220 | | > select #5.2/l:221-224 |
| 4221 | | |
| 4222 | | 54 atoms, 54 bonds, 4 residues, 1 model selected |
| 4223 | | |
| 4224 | | > isolde sim start #5.2/l:221-224 |
| 4225 | | |
| 4226 | | ISOLDE: started sim |
| 4227 | | |
| 4228 | | > isolde sim pause |
| 4229 | | |
| 4230 | | > isolde sim resume |
| 4231 | | |
| 4232 | | > isolde sim stop discardTo start |
| 4233 | | |
| 4234 | | Sim termination reason: None |
| 4235 | | reverting to start |
| 4236 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4237 | | chains... |
| 4238 | | ISOLDE: stopped sim |
| 4239 | | |
| 4240 | | > isolde sim start #5.2/l:221-224 |
| 4241 | | |
| 4242 | | ISOLDE: started sim |
| 4243 | | |
| 4244 | | > isolde sim pause |
| 4245 | | |
| 4246 | | > isolde sim resume |
| 4247 | | |
| 4248 | | > isolde sim stop |
| 4249 | | |
| 4250 | | Sim termination reason: None |
| 4251 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4252 | | chains... |
| 4253 | | ISOLDE: stopped sim |
| 4254 | | |
| 4255 | | > volume #5.1.1.1 level 0.1524 |
| 4256 | | |
| 4257 | | > isolde sim start #5.2/l:221-224 |
| 4258 | | |
| 4259 | | ISOLDE: started sim |
| 4260 | | |
| 4261 | | > isolde sim pause |
| 4262 | | |
| 4263 | | > isolde sim resume |
| 4264 | | |
| 4265 | | > isolde sim pause |
| 4266 | | |
| 4267 | | > isolde sim resume |
| 4268 | | |
| 4269 | | > isolde sim pause |
| 4270 | | |
| 4271 | | > isolde sim resume |
| 4272 | | |
| 4273 | | > isolde sim pause |
| 4274 | | |
| 4275 | | > isolde sim resume |
| 4276 | | |
| 4277 | | > isolde sim pause |
| 4278 | | |
| 4279 | | > isolde sim stop |
| 4280 | | |
| 4281 | | Sim termination reason: None |
| 4282 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4283 | | chains... |
| 4284 | | ISOLDE: stopped sim |
| 4285 | | |
| 4286 | | > isolde sim start #5.2/l:221 |
| 4287 | | |
| 4288 | | ISOLDE: started sim |
| 4289 | | |
| 4290 | | > isolde pepflip #5.2/l:221 |
| 4291 | | |
| 4292 | | > show #!1 models |
| 4293 | | |
| 4294 | | > hide #!1 models |
| 4295 | | |
| 4296 | | > show #!1 models |
| 4297 | | |
| 4298 | | > hide #!1 models |
| 4299 | | |
| 4300 | | > volume #5.1.1.1 level 0.1043 |
| 4301 | | |
| 4302 | | > isolde sim stop discardTo start |
| 4303 | | |
| 4304 | | Sim termination reason: None |
| 4305 | | reverting to start |
| 4306 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4307 | | chains... |
| 4308 | | ISOLDE: stopped sim |
| 4309 | | |
| 4310 | | > volume #5.1.1.1 level 0.1754 |
| 4311 | | |
| 4312 | | > isolde sim start #5.2/l:219 |
| 4313 | | |
| 4314 | | ISOLDE: started sim |
| 4315 | | |
| 4316 | | > volume #5.1.1.1 level 0.289 |
| 4317 | | |
| 4318 | | > isolde sim pause |
| 4319 | | |
| 4320 | | > volume #5.1.1.1 level 0.1274 |
| 4321 | | |
| 4322 | | > isolde sim resume |
| 4323 | | |
| 4324 | | > isolde sim pause |
| 4325 | | |
| 4326 | | > isolde sim resume |
| 4327 | | |
| 4328 | | > isolde sim pause |
| 4329 | | |
| 4330 | | > isolde sim resume |
| 4331 | | |
| 4332 | | > isolde sim pause |
| 4333 | | |
| 4334 | | > isolde sim stop |
| 4335 | | |
| 4336 | | Sim termination reason: None |
| 4337 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4338 | | chains... |
| 4339 | | ISOLDE: stopped sim |
| 4340 | | |
| 4341 | | > isolde sim start #5.2/l:220-222 |
| 4342 | | |
| 4343 | | ISOLDE: started sim |
| 4344 | | |
| 4345 | | > isolde sim stop discardTo start |
| 4346 | | |
| 4347 | | Sim termination reason: None |
| 4348 | | reverting to start |
| 4349 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4350 | | chains... |
| 4351 | | ISOLDE: stopped sim |
| 4352 | | |
| 4353 | | > volume #5.1.1.1 level 0.3242 |
| 4354 | | |
| 4355 | | > select clear |
| 4356 | | |
| 4357 | | > isolde sim start #5.2/l:233 |
| 4358 | | |
| 4359 | | ISOLDE: started sim |
| 4360 | | |
| 4361 | | > isolde sim pause |
| 4362 | | |
| 4363 | | > volume #5.1.1.1 level 0.1553 |
| 4364 | | |
| 4365 | | > isolde sim stop |
| 4366 | | |
| 4367 | | Sim termination reason: None |
| 4368 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4369 | | chains... |
| 4370 | | ISOLDE: stopped sim |
| 4371 | | |
| 4372 | | > volume #5.1.1.1 level 0.3261 |
| 4373 | | |
| 4374 | | > save |
| 4375 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_deepemhancer_beta_01.cxs |
| 4376 | | |
| 4377 | | Taking snapshot of stepper: 230822_Xt_14-3_6dimers- |
| 4378 | | rotamercorrect_real_space_refined_037.pdb |
| 4379 | | |
| 4380 | | > isolde sim start #5.2/l:238 |
| 4381 | | |
| 4382 | | ISOLDE: started sim |
| 4383 | | |
| 4384 | | > isolde sim stop |
| 4385 | | |
| 4386 | | Sim termination reason: None |
| 4387 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4388 | | chains... |
| 4389 | | ISOLDE: stopped sim |
| 4390 | | |
| 4391 | | > volume #5.1.1.1 level 0.2721 |
| 4392 | | |
| 4393 | | > isolde sim start #5.2/l:242 |
| 4394 | | |
| 4395 | | ISOLDE: started sim |
| 4396 | | |
| 4397 | | > isolde sim stop discardTo start |
| 4398 | | |
| 4399 | | Sim termination reason: None |
| 4400 | | reverting to start |
| 4401 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4402 | | chains... |
| 4403 | | ISOLDE: stopped sim |
| 4404 | | |
| 4405 | | > select #5.2/l:242-243 |
| 4406 | | |
| 4407 | | 34 atoms, 35 bonds, 2 residues, 1 model selected |
| 4408 | | |
| 4409 | | > select #5.2/l:242-248 |
| 4410 | | |
| 4411 | | 101 atoms, 102 bonds, 7 residues, 1 model selected |
| 4412 | | |
| 4413 | | > isolde sim start #5.2/l:249 |
| 4414 | | |
| 4415 | | ISOLDE: started sim |
| 4416 | | |
| 4417 | | > isolde sim pause |
| 4418 | | |
| 4419 | | > isolde sim stop |
| 4420 | | |
| 4421 | | Sim termination reason: None |
| 4422 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4423 | | chains... |
| 4424 | | ISOLDE: stopped sim |
| 4425 | | |
| 4426 | | > select #5.2/l:250 |
| 4427 | | |
| 4428 | | 19 atoms, 18 bonds, 1 residue, 1 model selected |
| 4429 | | |
| 4430 | | > select #5.2/l:250-255 |
| 4431 | | |
| 4432 | | 110 atoms, 109 bonds, 6 residues, 1 model selected |
| 4433 | | |
| 4434 | | > select #5.2/l:256 |
| 4435 | | |
| 4436 | | 14 atoms, 13 bonds, 1 residue, 1 model selected |
| 4437 | | |
| 4438 | | > select #5.2/l:256-339 |
| 4439 | | |
| 4440 | | 1334 atoms, 1349 bonds, 84 residues, 1 model selected |
| 4441 | | |
| 4442 | | > isolde sim start #5.2/l:258-259 |
| 4443 | | |
| 4444 | | ISOLDE: started sim |
| 4445 | | |
| 4446 | | > isolde sim pause |
| 4447 | | |
| 4448 | | > show #!1 models |
| 4449 | | |
| 4450 | | > isolde sim resume |
| 4451 | | |
| 4452 | | > hide #!1 models |
| 4453 | | |
| 4454 | | > isolde sim stop discardTo start |
| 4455 | | |
| 4456 | | Sim termination reason: None |
| 4457 | | reverting to start |
| 4458 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4459 | | chains... |
| 4460 | | ISOLDE: stopped sim |
| 4461 | | |
| 4462 | | > isolde sim start #5.2/l:259 |
| 4463 | | |
| 4464 | | ISOLDE: started sim |
| 4465 | | |
| 4466 | | > isolde pepflip #5.2/l:258 |
| 4467 | | |
| 4468 | | [Repeated 1 time(s)] |
| 4469 | | |
| 4470 | | > isolde pepflip #5.2/l:259 |
| 4471 | | |
| 4472 | | [Repeated 1 time(s)]Unable to flip peptide bond after 50 rounds. Giving up. |
| 4473 | | |
| 4474 | | > isolde pepflip #5.2/l:259 |
| 4475 | | |
| 4476 | | [Repeated 1 time(s)] |
| 4477 | | |
| 4478 | | > isolde pepflip #5.2/l:260 |
| 4479 | | |
| 4480 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 4481 | | |
| 4482 | | > isolde pepflip #5.2/l:260 |
| 4483 | | |
| 4484 | | [Repeated 1 time(s)] |
| 4485 | | |
| 4486 | | > isolde sim stop discardTo start |
| 4487 | | |
| 4488 | | Sim termination reason: None |
| 4489 | | reverting to start |
| 4490 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4491 | | chains... |
| 4492 | | ISOLDE: stopped sim |
| 4493 | | |
| 4494 | | > isolde sim start #5.2/l:258-261 |
| 4495 | | |
| 4496 | | ISOLDE: started sim |
| 4497 | | |
| 4498 | | > isolde pepflip #5.2/l:260 |
| 4499 | | |
| 4500 | | > isolde pepflip #5.2/l:261 |
| 4501 | | |
| 4502 | | > isolde sim pause |
| 4503 | | |
| 4504 | | > isolde sim stop |
| 4505 | | |
| 4506 | | Sim termination reason: None |
| 4507 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4508 | | chains... |
| 4509 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #5.2 to IUPAC-IUB |
| 4510 | | standards. |
| 4511 | | ISOLDE: stopped sim |
| 4512 | | |
| 4513 | | > isolde sim start #5.2/l:263 |
| 4514 | | |
| 4515 | | ISOLDE: started sim |
| 4516 | | |
| 4517 | | > isolde sim pause |
| 4518 | | |
| 4519 | | > isolde sim stop |
| 4520 | | |
| 4521 | | Sim termination reason: None |
| 4522 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4523 | | chains... |
| 4524 | | ISOLDE: stopped sim |
| 4525 | | |
| 4526 | | > select #5.2/l:264 |
| 4527 | | |
| 4528 | | 18 atoms, 18 bonds, 1 residue, 1 model selected |
| 4529 | | |
| 4530 | | > select #5.2/l:264-269 |
| 4531 | | |
| 4532 | | 96 atoms, 99 bonds, 6 residues, 1 model selected |
| 4533 | | |
| 4534 | | > isolde sim start #5.2/l:271-273 |
| 4535 | | |
| 4536 | | ISOLDE: started sim |
| 4537 | | |
| 4538 | | > isolde sim pause |
| 4539 | | |
| 4540 | | > isolde sim resume |
| 4541 | | |
| 4542 | | > isolde pepflip #5.2/l:271 |
| 4543 | | |
| 4544 | | [Repeated 1 time(s)] |
| 4545 | | |
| 4546 | | > isolde pepflip #5.2/l:272 |
| 4547 | | |
| 4548 | | [Repeated 1 time(s)] |
| 4549 | | |
| 4550 | | > isolde sim stop discardTo start |
| 4551 | | |
| 4552 | | Sim termination reason: None |
| 4553 | | reverting to start |
| 4554 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4555 | | chains... |
| 4556 | | ISOLDE: stopped sim |
| 4557 | | |
| 4558 | | > show #!1 models |
| 4559 | | |
| 4560 | | > hide #!1 models |
| 4561 | | |
| 4562 | | > isolde sim start #5.2/l:271 |
| 4563 | | |
| 4564 | | ISOLDE: started sim |
| 4565 | | |
| 4566 | | > isolde sim stop discardTo start |
| 4567 | | |
| 4568 | | Sim termination reason: None |
| 4569 | | reverting to start |
| 4570 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4571 | | chains... |
| 4572 | | ISOLDE: stopped sim |
| 4573 | | |
| 4574 | | > isolde sim start #5.2/l:270-277 |
| 4575 | | |
| 4576 | | ISOLDE: started sim |
| 4577 | | |
| 4578 | | > isolde sim pause |
| 4579 | | |
| 4580 | | > isolde sim stop discardTo start |
| 4581 | | |
| 4582 | | Sim termination reason: None |
| 4583 | | reverting to start |
| 4584 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4585 | | chains... |
| 4586 | | ISOLDE: stopped sim |
| 4587 | | |
| 4588 | | > isolde sim start #5.2/l:269-273 |
| 4589 | | |
| 4590 | | ISOLDE: started sim |
| 4591 | | |
| 4592 | | > isolde sim pause |
| 4593 | | |
| 4594 | | > isolde sim resume |
| 4595 | | |
| 4596 | | > isolde sim pause |
| 4597 | | |
| 4598 | | > isolde pepflip #5.2/l:271 |
| 4599 | | |
| 4600 | | > isolde sim resume |
| 4601 | | |
| 4602 | | > isolde pepflip #5.2/l:271 |
| 4603 | | |
| 4604 | | > isolde sim pause |
| 4605 | | |
| 4606 | | > isolde pepflip #5.2/l:270 |
| 4607 | | |
| 4608 | | > isolde pepflip #5.2/l:268 |
| 4609 | | |
| 4610 | | Peptide bond must be mobile in the simulation! |
| 4611 | | |
| 4612 | | > isolde sim resume |
| 4613 | | |
| 4614 | | > isolde pepflip #5.2/l:269 |
| 4615 | | |
| 4616 | | > isolde sim stop discardTo start |
| 4617 | | |
| 4618 | | Sim termination reason: None |
| 4619 | | reverting to start |
| 4620 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4621 | | chains... |
| 4622 | | ISOLDE: stopped sim |
| 4623 | | |
| 4624 | | > isolde sim start #5.2/l:271-272 |
| 4625 | | |
| 4626 | | ISOLDE: started sim |
| 4627 | | |
| 4628 | | > isolde sim stop discardTo start |
| 4629 | | |
| 4630 | | Sim termination reason: None |
| 4631 | | reverting to start |
| 4632 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4633 | | chains... |
| 4634 | | ISOLDE: stopped sim |
| 4635 | | |
| 4636 | | > select #5.2/l:273 |
| 4637 | | |
| 4638 | | 19 atoms, 18 bonds, 1 residue, 1 model selected |
| 4639 | | |
| 4640 | | > select #5.2/l:273-278 |
| 4641 | | |
| 4642 | | 86 atoms, 85 bonds, 6 residues, 1 model selected |
| 4643 | | |
| 4644 | | > volume #5.1.1.1 level 0.2324 |
| 4645 | | |
| 4646 | | > select clear |
| 4647 | | |
| 4648 | | > isolde sim start #5.2/l:272 |
| 4649 | | |
| 4650 | | ISOLDE: started sim |
| 4651 | | |
| 4652 | | > isolde cisflip #5.2/l:272 |
| 4653 | | |
| 4654 | | > isolde sim stop discardTo start |
| 4655 | | |
| 4656 | | Sim termination reason: None |
| 4657 | | reverting to start |
| 4658 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4659 | | chains... |
| 4660 | | ISOLDE: stopped sim |
| 4661 | | |
| 4662 | | > isolde sim start #5.2/l:271-273 |
| 4663 | | |
| 4664 | | ISOLDE: started sim |
| 4665 | | |
| 4666 | | > isolde cisflip #5.2/l:272 |
| 4667 | | |
| 4668 | | > isolde sim stop discardTo start |
| 4669 | | |
| 4670 | | Sim termination reason: None |
| 4671 | | reverting to start |
| 4672 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4673 | | chains... |
| 4674 | | ISOLDE: stopped sim |
| 4675 | | |
| 4676 | | > isolde sim start #5.2/l:271 |
| 4677 | | |
| 4678 | | ISOLDE: started sim |
| 4679 | | |
| 4680 | | > isolde sim pause |
| 4681 | | |
| 4682 | | > isolde sim resume |
| 4683 | | |
| 4684 | | > isolde sim pause |
| 4685 | | |
| 4686 | | > isolde sim resume |
| 4687 | | |
| 4688 | | > isolde sim stop discardTo start |
| 4689 | | |
| 4690 | | Sim termination reason: None |
| 4691 | | reverting to start |
| 4692 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4693 | | chains... |
| 4694 | | ISOLDE: stopped sim |
| 4695 | | |
| 4696 | | > volume #5.1.1.1 level 0.1617 |
| 4697 | | |
| 4698 | | > isolde sim start #5.2/l:275-278 |
| 4699 | | |
| 4700 | | ISOLDE: started sim |
| 4701 | | |
| 4702 | | > isolde sim pause |
| 4703 | | |
| 4704 | | > isolde sim stop discardTo start |
| 4705 | | |
| 4706 | | Sim termination reason: None |
| 4707 | | reverting to start |
| 4708 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4709 | | chains... |
| 4710 | | ISOLDE: stopped sim |
| 4711 | | |
| 4712 | | > show #!1 models |
| 4713 | | |
| 4714 | | > isolde sim start #5.2/l:273-279 |
| 4715 | | |
| 4716 | | ISOLDE: started sim |
| 4717 | | |
| 4718 | | > hide #!1 models |
| 4719 | | |
| 4720 | | > select clear |
| 4721 | | |
| 4722 | | > isolde sim pause |
| 4723 | | |
| 4724 | | > isolde sim resume |
| 4725 | | |
| 4726 | | > isolde pepflip #5.2/l:277 |
| 4727 | | |
| 4728 | | > isolde sim pause |
| 4729 | | |
| 4730 | | > show #!1 models |
| 4731 | | |
| 4732 | | > hide #!1 models |
| 4733 | | |
| 4734 | | > isolde sim stop |
| 4735 | | |
| 4736 | | Sim termination reason: None |
| 4737 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4738 | | chains... |
| 4739 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #5.2 to IUPAC-IUB |
| 4740 | | standards. |
| 4741 | | ISOLDE: stopped sim |
| 4742 | | |
| 4743 | | > isolde sim start #5.2/l:271-273 |
| 4744 | | |
| 4745 | | ISOLDE: started sim |
| 4746 | | |
| 4747 | | > isolde cisflip #5.2/l:272 |
| 4748 | | |
| 4749 | | > isolde sim pause |
| 4750 | | |
| 4751 | | > isolde sim stop |
| 4752 | | |
| 4753 | | Sim termination reason: None |
| 4754 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4755 | | chains... |
| 4756 | | ISOLDE: stopped sim |
| 4757 | | |
| 4758 | | > isolde sim start #5.2/l:281-285 |
| 4759 | | |
| 4760 | | ISOLDE: started sim |
| 4761 | | |
| 4762 | | > isolde sim pause |
| 4763 | | |
| 4764 | | > show #!1 models |
| 4765 | | |
| 4766 | | > isolde sim resume |
| 4767 | | |
| 4768 | | > select clear |
| 4769 | | |
| 4770 | | > hide #!1 models |
| 4771 | | |
| 4772 | | > isolde sim pause |
| 4773 | | |
| 4774 | | > isolde sim resume |
| 4775 | | |
| 4776 | | > isolde sim pause |
| 4777 | | |
| 4778 | | > isolde sim resume |
| 4779 | | |
| 4780 | | > isolde sim pause |
| 4781 | | |
| 4782 | | > isolde sim resume |
| 4783 | | |
| 4784 | | > isolde sim pause |
| 4785 | | |
| 4786 | | > isolde sim resume |
| 4787 | | |
| 4788 | | > isolde sim pause |
| 4789 | | |
| 4790 | | > isolde sim stop |
| 4791 | | |
| 4792 | | Sim termination reason: None |
| 4793 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4794 | | chains... |
| 4795 | | ISOLDE: stopped sim |
| 4796 | | |
| 4797 | | > volume #5.1.1.1 level 0.3552 |
| 4798 | | |
| 4799 | | > isolde sim start #5.2/l:297-299 |
| 4800 | | |
| 4801 | | ISOLDE: started sim |
| 4802 | | |
| 4803 | | > isolde sim pause |
| 4804 | | |
| 4805 | | > volume #5.1.1.1 level 0.03994 |
| 4806 | | |
| 4807 | | > isolde sim resume |
| 4808 | | |
| 4809 | | > isolde sim pause |
| 4810 | | |
| 4811 | | > volume #5.1.1.1 level 0.2372 |
| 4812 | | |
| 4813 | | > isolde sim stop |
| 4814 | | |
| 4815 | | Sim termination reason: None |
| 4816 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4817 | | chains... |
| 4818 | | ISOLDE: stopped sim |
| 4819 | | |
| 4820 | | > select #5.2/l:307 |
| 4821 | | |
| 4822 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 4823 | | |
| 4824 | | > select #5.2/l:307-314 |
| 4825 | | |
| 4826 | | 128 atoms, 129 bonds, 8 residues, 1 model selected |
| 4827 | | |
| 4828 | | > volume #5.1.1.1 level 0.4308 |
| 4829 | | |
| 4830 | | > show #!1 models |
| 4831 | | |
| 4832 | | > isolde sim start #5.2/l:322-323 |
| 4833 | | |
| 4834 | | ISOLDE: started sim |
| 4835 | | |
| 4836 | | > hide #!1 models |
| 4837 | | |
| 4838 | | > isolde sim pause |
| 4839 | | |
| 4840 | | > isolde sim stop |
| 4841 | | |
| 4842 | | Sim termination reason: None |
| 4843 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4844 | | chains... |
| 4845 | | ISOLDE: stopped sim |
| 4846 | | |
| 4847 | | > select #5.2/l:323-324 |
| 4848 | | |
| 4849 | | 39 atoms, 38 bonds, 2 residues, 1 model selected |
| 4850 | | |
| 4851 | | > select #5.2/l:323-328 |
| 4852 | | |
| 4853 | | 97 atoms, 96 bonds, 6 residues, 1 model selected |
| 4854 | | |
| 4855 | | > show #!1 models |
| 4856 | | |
| 4857 | | > hide #!1 models |
| 4858 | | |
| 4859 | | > show #!1 models |
| 4860 | | |
| 4861 | | > hide #!1 models |
| 4862 | | |
| 4863 | | > volume #5.1.1.1 level 0.3088 |
| 4864 | | |
| 4865 | | > select #5.2/l:324 |
| 4866 | | |
| 4867 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 4868 | | |
| 4869 | | > select #5.2/l:324-339 |
| 4870 | | |
| 4871 | | 252 atoms, 251 bonds, 16 residues, 1 model selected |
| 4872 | | |
| 4873 | | > select #5.2/l:323 |
| 4874 | | |
| 4875 | | 17 atoms, 16 bonds, 1 residue, 1 model selected |
| 4876 | | |
| 4877 | | > select #5.2/l:323-339 |
| 4878 | | |
| 4879 | | 269 atoms, 268 bonds, 17 residues, 1 model selected |
| 4880 | | |
| 4881 | | > isolde sim start #5.2/l:323-339 |
| 4882 | | |
| 4883 | | ISOLDE: started sim |
| 4884 | | |
| 4885 | | > isolde sim pause |
| 4886 | | |
| 4887 | | > isolde sim resume |
| 4888 | | |
| 4889 | | > isolde sim pause |
| 4890 | | |
| 4891 | | > isolde sim resume |
| 4892 | | |
| 4893 | | > isolde sim pause |
| 4894 | | |
| 4895 | | > isolde sim resume |
| 4896 | | |
| 4897 | | > isolde sim pause |
| 4898 | | |
| 4899 | | > isolde sim stop |
| 4900 | | |
| 4901 | | Sim termination reason: None |
| 4902 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4903 | | chains... |
| 4904 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #5.2 to IUPAC-IUB |
| 4905 | | standards. |
| 4906 | | ISOLDE: stopped sim |
| 4907 | | |
| 4908 | | > select #5.2/l:339 |
| 4909 | | |
| 4910 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 4911 | | |
| 4912 | | > select #5.2/l:339-349 |
| 4913 | | |
| 4914 | | 184 atoms, 188 bonds, 11 residues, 1 model selected |
| 4915 | | |
| 4916 | | > select #5.2/l:348 |
| 4917 | | |
| 4918 | | 14 atoms, 13 bonds, 1 residue, 1 model selected |
| 4919 | | |
| 4920 | | > select #5.2/l:348-356 |
| 4921 | | |
| 4922 | | 134 atoms, 133 bonds, 9 residues, 1 model selected |
| 4923 | | |
| 4924 | | > isolde sim start #5.2/l:356 |
| 4925 | | |
| 4926 | | ISOLDE: started sim |
| 4927 | | |
| 4928 | | > isolde sim pause |
| 4929 | | |
| 4930 | | > isolde sim resume |
| 4931 | | |
| 4932 | | > isolde sim pause |
| 4933 | | |
| 4934 | | > isolde sim resume |
| 4935 | | |
| 4936 | | > isolde sim pause |
| 4937 | | |
| 4938 | | > isolde sim resume |
| 4939 | | |
| 4940 | | > isolde sim pause |
| 4941 | | |
| 4942 | | > isolde sim resume |
| 4943 | | |
| 4944 | | > isolde sim pause |
| 4945 | | |
| 4946 | | > isolde sim resume |
| 4947 | | |
| 4948 | | > isolde sim pause |
| 4949 | | |
| 4950 | | > isolde sim resume |
| 4951 | | |
| 4952 | | > isolde sim pause |
| 4953 | | |
| 4954 | | > isolde sim stop |
| 4955 | | |
| 4956 | | Sim termination reason: None |
| 4957 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4958 | | chains... |
| 4959 | | ISOLDE: stopped sim |
| 4960 | | |
| 4961 | | > volume #5.1.1.1 level 0.2591 |
| 4962 | | |
| 4963 | | > show #!1 models |
| 4964 | | |
| 4965 | | > select clear |
| 4966 | | |
| 4967 | | > isolde sim start #5.2/l:360-361 |
| 4968 | | |
| 4969 | | ISOLDE: started sim |
| 4970 | | |
| 4971 | | > hide #!1 models |
| 4972 | | |
| 4973 | | > isolde sim pause |
| 4974 | | |
| 4975 | | > isolde sim stop |
| 4976 | | |
| 4977 | | Sim termination reason: None |
| 4978 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 4979 | | chains... |
| 4980 | | ISOLDE: stopped sim |
| 4981 | | |
| 4982 | | > volume #5.1.1.1 level 0.3744 |
| 4983 | | |
| 4984 | | > isolde sim start #5.2/l:364 |
| 4985 | | |
| 4986 | | ISOLDE: started sim |
| 4987 | | |
| 4988 | | > isolde sim pause |
| 4989 | | |
| 4990 | | > isolde sim resume |
| 4991 | | |
| 4992 | | > isolde sim pause |
| 4993 | | |
| 4994 | | > volume #5.1.1.1 level 0.08362 |
| 4995 | | |
| 4996 | | > isolde sim stop |
| 4997 | | |
| 4998 | | Sim termination reason: None |
| 4999 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5000 | | chains... |
| 5001 | | ISOLDE: stopped sim |
| 5002 | | |
| 5003 | | > volume #5.1.1.1 level 0.2073 |
| 5004 | | |
| 5005 | | > isolde sim start #5.2/l:284,363 |
| 5006 | | |
| 5007 | | ISOLDE: started sim |
| 5008 | | |
| 5009 | | > isolde sim pause |
| 5010 | | |
| 5011 | | > isolde sim resume |
| 5012 | | |
| 5013 | | > isolde sim pause |
| 5014 | | |
| 5015 | | > ui tool show "Ramachandran Plot" |
| 5016 | | |
| 5017 | | > isolde sim stop |
| 5018 | | |
| 5019 | | Sim termination reason: None |
| 5020 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5021 | | chains... |
| 5022 | | ISOLDE: stopped sim |
| 5023 | | |
| 5024 | | > select clear |
| 5025 | | |
| 5026 | | > isolde sim start #5.2/l:292 |
| 5027 | | |
| 5028 | | ISOLDE: started sim |
| 5029 | | |
| 5030 | | > isolde sim pause |
| 5031 | | |
| 5032 | | > isolde sim stop |
| 5033 | | |
| 5034 | | Sim termination reason: None |
| 5035 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5036 | | chains... |
| 5037 | | ISOLDE: stopped sim |
| 5038 | | |
| 5039 | | > isolde sim start #5.2/l:321 |
| 5040 | | |
| 5041 | | ISOLDE: started sim |
| 5042 | | |
| 5043 | | > isolde sim stop discardTo start |
| 5044 | | |
| 5045 | | Sim termination reason: None |
| 5046 | | reverting to start |
| 5047 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5048 | | chains... |
| 5049 | | ISOLDE: stopped sim |
| 5050 | | |
| 5051 | | > select clear |
| 5052 | | |
| 5053 | | > isolde sim start #5.2/l:321 |
| 5054 | | |
| 5055 | | ISOLDE: started sim |
| 5056 | | |
| 5057 | | > isolde sim pause |
| 5058 | | |
| 5059 | | > isolde sim stop |
| 5060 | | |
| 5061 | | Sim termination reason: None |
| 5062 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5063 | | chains... |
| 5064 | | ISOLDE: stopped sim |
| 5065 | | |
| 5066 | | > select #5.2/l:348 |
| 5067 | | |
| 5068 | | 14 atoms, 13 bonds, 1 residue, 1 model selected |
| 5069 | | |
| 5070 | | > select #5.2/l:348-356 |
| 5071 | | |
| 5072 | | 134 atoms, 133 bonds, 9 residues, 1 model selected |
| 5073 | | |
| 5074 | | > isolde sim start #5.2/l:353 |
| 5075 | | |
| 5076 | | ISOLDE: started sim |
| 5077 | | |
| 5078 | | > isolde sim stop discardTo start |
| 5079 | | |
| 5080 | | Sim termination reason: None |
| 5081 | | reverting to start |
| 5082 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5083 | | chains... |
| 5084 | | ISOLDE: stopped sim |
| 5085 | | |
| 5086 | | > isolde sim start #5.2/l:351-353 |
| 5087 | | |
| 5088 | | ISOLDE: started sim |
| 5089 | | |
| 5090 | | > isolde sim stop discardTo start |
| 5091 | | |
| 5092 | | Sim termination reason: None |
| 5093 | | reverting to start |
| 5094 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5095 | | chains... |
| 5096 | | ISOLDE: stopped sim |
| 5097 | | |
| 5098 | | > select #5.2/l:355 |
| 5099 | | |
| 5100 | | 12 atoms, 11 bonds, 1 residue, 1 model selected |
| 5101 | | |
| 5102 | | > select #5.2/l:355-357 |
| 5103 | | |
| 5104 | | 45 atoms, 45 bonds, 3 residues, 1 model selected |
| 5105 | | |
| 5106 | | > select #5.2/l:352 |
| 5107 | | |
| 5108 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5109 | | |
| 5110 | | > select #5.2/l:352-360 |
| 5111 | | |
| 5112 | | 127 atoms, 128 bonds, 9 residues, 1 model selected |
| 5113 | | |
| 5114 | | > isolde sim start #5.2/l:352-360 |
| 5115 | | |
| 5116 | | ISOLDE: started sim |
| 5117 | | |
| 5118 | | > isolde sim pause |
| 5119 | | |
| 5120 | | > isolde sim stop discardTo start |
| 5121 | | |
| 5122 | | Sim termination reason: None |
| 5123 | | reverting to start |
| 5124 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5125 | | chains... |
| 5126 | | ISOLDE: stopped sim |
| 5127 | | |
| 5128 | | > volume #5.1.1.1 level 0.2188 |
| 5129 | | |
| 5130 | | > volume #5.1.1.1 level 0.1459 |
| 5131 | | |
| 5132 | | > isolde sim start #5.2/l:376 |
| 5133 | | |
| 5134 | | ISOLDE: started sim |
| 5135 | | |
| 5136 | | > isolde sim stop discardTo start |
| 5137 | | |
| 5138 | | Sim termination reason: None |
| 5139 | | reverting to start |
| 5140 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5141 | | chains... |
| 5142 | | ISOLDE: stopped sim |
| 5143 | | |
| 5144 | | > isolde sim start #5.2/l:380 |
| 5145 | | |
| 5146 | | ISOLDE: started sim |
| 5147 | | |
| 5148 | | > volume #5.1.1.1 level 0.08303 |
| 5149 | | |
| 5150 | | > isolde sim pause |
| 5151 | | |
| 5152 | | > volume #5.1.1.1 level 0.1276 |
| 5153 | | |
| 5154 | | > isolde sim resume |
| 5155 | | |
| 5156 | | > isolde sim stop |
| 5157 | | |
| 5158 | | Sim termination reason: None |
| 5159 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5160 | | chains... |
| 5161 | | ISOLDE: stopped sim |
| 5162 | | |
| 5163 | | > isolde sim start #5.2/l:391 |
| 5164 | | |
| 5165 | | ISOLDE: started sim |
| 5166 | | |
| 5167 | | > isolde sim stop |
| 5168 | | |
| 5169 | | Sim termination reason: None |
| 5170 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5171 | | chains... |
| 5172 | | ISOLDE: stopped sim |
| 5173 | | |
| 5174 | | > volume #5.1.1.1 level 0.257 |
| 5175 | | |
| 5176 | | > volume #5.1.1.1 level 0.05166 |
| 5177 | | |
| 5178 | | > isolde sim start #5.2/l:426-429 |
| 5179 | | |
| 5180 | | ISOLDE: started sim |
| 5181 | | |
| 5182 | | > isolde sim pause |
| 5183 | | |
| 5184 | | > isolde sim resume |
| 5185 | | |
| 5186 | | > isolde sim pause |
| 5187 | | |
| 5188 | | > isolde sim stop |
| 5189 | | |
| 5190 | | Sim termination reason: None |
| 5191 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5192 | | chains... |
| 5193 | | ISOLDE: stopped sim |
| 5194 | | |
| 5195 | | > isolde sim start #5.2/l:425 |
| 5196 | | |
| 5197 | | ISOLDE: started sim |
| 5198 | | |
| 5199 | | > isolde sim pause |
| 5200 | | |
| 5201 | | > volume #5.1.1.1 level 0.2179 |
| 5202 | | |
| 5203 | | > isolde sim stop |
| 5204 | | |
| 5205 | | Sim termination reason: None |
| 5206 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5207 | | chains... |
| 5208 | | ISOLDE: stopped sim |
| 5209 | | |
| 5210 | | > select up |
| 5211 | | |
| 5212 | | 3232 atoms, 3240 bonds, 215 residues, 2 models selected |
| 5213 | | |
| 5214 | | > select up |
| 5215 | | |
| 5216 | | 3314 atoms, 3326 bonds, 215 residues, 2 models selected |
| 5217 | | |
| 5218 | | > select up |
| 5219 | | |
| 5220 | | 5791 atoms, 5850 bonds, 374 residues, 2 models selected |
| 5221 | | |
| 5222 | | > select up |
| 5223 | | |
| 5224 | | 13398 atoms, 13550 bonds, 868 residues, 2 models selected |
| 5225 | | |
| 5226 | | > ui tool show "Ramachandran Plot" |
| 5227 | | |
| 5228 | | > isolde sim start #5.2/a:402 |
| 5229 | | |
| 5230 | | ISOLDE: started sim |
| 5231 | | |
| 5232 | | > isolde sim stop discardTo start |
| 5233 | | |
| 5234 | | Sim termination reason: None |
| 5235 | | reverting to start |
| 5236 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5237 | | chains... |
| 5238 | | ISOLDE: stopped sim |
| 5239 | | |
| 5240 | | > isolde sim start #5.2/a:401-404 |
| 5241 | | |
| 5242 | | ISOLDE: started sim |
| 5243 | | |
| 5244 | | > isolde sim stop discardTo start |
| 5245 | | |
| 5246 | | Sim termination reason: None |
| 5247 | | reverting to start |
| 5248 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5249 | | chains... |
| 5250 | | ISOLDE: stopped sim |
| 5251 | | |
| 5252 | | > show #!1 models |
| 5253 | | |
| 5254 | | > hide #!1 models |
| 5255 | | |
| 5256 | | > isolde sim start #5.2/a:401-404 |
| 5257 | | |
| 5258 | | ISOLDE: started sim |
| 5259 | | |
| 5260 | | > isolde sim stop discardTo start |
| 5261 | | |
| 5262 | | Sim termination reason: None |
| 5263 | | reverting to start |
| 5264 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5265 | | chains... |
| 5266 | | ISOLDE: stopped sim |
| 5267 | | |
| 5268 | | > isolde sim start #5.2/a:402 |
| 5269 | | |
| 5270 | | ISOLDE: started sim |
| 5271 | | |
| 5272 | | > isolde sim pause |
| 5273 | | |
| 5274 | | > isolde sim resume |
| 5275 | | |
| 5276 | | > isolde sim pause |
| 5277 | | |
| 5278 | | > isolde sim stop discardTo start |
| 5279 | | |
| 5280 | | Sim termination reason: None |
| 5281 | | reverting to start |
| 5282 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5283 | | chains... |
| 5284 | | ISOLDE: stopped sim |
| 5285 | | |
| 5286 | | > volume #5.1.1.1 level 0.1237 |
| 5287 | | |
| 5288 | | > isolde sim start #5.2/a:402-404/l:260 |
| 5289 | | |
| 5290 | | ISOLDE: started sim |
| 5291 | | |
| 5292 | | > isolde sim pause |
| 5293 | | |
| 5294 | | > isolde sim resume |
| 5295 | | |
| 5296 | | > isolde sim pause |
| 5297 | | |
| 5298 | | > isolde sim resume |
| 5299 | | |
| 5300 | | > isolde sim pause |
| 5301 | | |
| 5302 | | > isolde sim resume |
| 5303 | | |
| 5304 | | > isolde sim pause |
| 5305 | | |
| 5306 | | > isolde sim resume |
| 5307 | | |
| 5308 | | > isolde sim pause |
| 5309 | | |
| 5310 | | > isolde sim resume |
| 5311 | | |
| 5312 | | > isolde sim stop discardTo start |
| 5313 | | |
| 5314 | | Sim termination reason: None |
| 5315 | | reverting to start |
| 5316 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5317 | | chains... |
| 5318 | | ISOLDE: stopped sim |
| 5319 | | |
| 5320 | | > isolde sim start #5.2/a:402 |
| 5321 | | |
| 5322 | | ISOLDE: started sim |
| 5323 | | |
| 5324 | | > isolde pepflip #5.2/a:401 |
| 5325 | | |
| 5326 | | [Repeated 1 time(s)] |
| 5327 | | |
| 5328 | | > isolde pepflip #5.2/a:402 |
| 5329 | | |
| 5330 | | [Repeated 1 time(s)] |
| 5331 | | |
| 5332 | | > isolde sim pause |
| 5333 | | |
| 5334 | | > volume #5.1.1.1 level 0.2988 |
| 5335 | | |
| 5336 | | > show #!1 models |
| 5337 | | |
| 5338 | | > isolde sim stop |
| 5339 | | |
| 5340 | | Sim termination reason: None |
| 5341 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5342 | | chains... |
| 5343 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #5.2 to IUPAC-IUB |
| 5344 | | standards. |
| 5345 | | ISOLDE: stopped sim |
| 5346 | | |
| 5347 | | > isolde sim start #5.2/l:259 |
| 5348 | | |
| 5349 | | ISOLDE: started sim |
| 5350 | | |
| 5351 | | > isolde pepflip #5.2/l:260 |
| 5352 | | |
| 5353 | | > isolde sim pause |
| 5354 | | |
| 5355 | | > isolde sim resume |
| 5356 | | |
| 5357 | | > isolde pepflip #5.2/a:402 |
| 5358 | | |
| 5359 | | [Repeated 1 time(s)] |
| 5360 | | |
| 5361 | | > isolde pepflip #5.2/a:403 |
| 5362 | | |
| 5363 | | > isolde sim pause |
| 5364 | | |
| 5365 | | > hide #!1 models |
| 5366 | | |
| 5367 | | > isolde sim stop |
| 5368 | | |
| 5369 | | Sim termination reason: None |
| 5370 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5371 | | chains... |
| 5372 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #5.2 to IUPAC-IUB |
| 5373 | | standards. |
| 5374 | | ISOLDE: stopped sim |
| 5375 | | |
| 5376 | | > select up |
| 5377 | | |
| 5378 | | 1834 atoms, 1831 bonds, 122 residues, 1 model selected |
| 5379 | | |
| 5380 | | > select up |
| 5381 | | |
| 5382 | | 1849 atoms, 1847 bonds, 122 residues, 1 model selected |
| 5383 | | |
| 5384 | | > select up |
| 5385 | | |
| 5386 | | 4301 atoms, 4334 bonds, 277 residues, 2 models selected |
| 5387 | | |
| 5388 | | > select up |
| 5389 | | |
| 5390 | | 13398 atoms, 13550 bonds, 868 residues, 2 models selected |
| 5391 | | |
| 5392 | | > isolde sim start #5.2/a:369 |
| 5393 | | |
| 5394 | | ISOLDE: started sim |
| 5395 | | |
| 5396 | | > isolde sim pause |
| 5397 | | |
| 5398 | | > isolde sim stop |
| 5399 | | |
| 5400 | | Sim termination reason: None |
| 5401 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5402 | | chains... |
| 5403 | | ISOLDE: stopped sim |
| 5404 | | |
| 5405 | | > select up |
| 5406 | | |
| 5407 | | 3327 atoms, 3348 bonds, 218 residues, 2 models selected |
| 5408 | | |
| 5409 | | > select up |
| 5410 | | |
| 5411 | | 13398 atoms, 13550 bonds, 868 residues, 2 models selected |
| 5412 | | |
| 5413 | | > isolde sim start #5.2/l:221 |
| 5414 | | |
| 5415 | | ISOLDE: started sim |
| 5416 | | |
| 5417 | | > volume #5.1.1.1 level 0.1148 |
| 5418 | | |
| 5419 | | > isolde sim stop discardTo start |
| 5420 | | |
| 5421 | | Sim termination reason: None |
| 5422 | | reverting to start |
| 5423 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5424 | | chains... |
| 5425 | | ISOLDE: stopped sim |
| 5426 | | |
| 5427 | | > isolde sim start #5.2/l:221 |
| 5428 | | |
| 5429 | | ISOLDE: started sim |
| 5430 | | |
| 5431 | | > isolde pepflip #5.2/l:222 |
| 5432 | | |
| 5433 | | > isolde sim stop discardTo start |
| 5434 | | |
| 5435 | | Sim termination reason: None |
| 5436 | | reverting to start |
| 5437 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5438 | | chains... |
| 5439 | | ISOLDE: stopped sim |
| 5440 | | |
| 5441 | | > volume #5.1.1.1 level 0.2524 |
| 5442 | | |
| 5443 | | > select up |
| 5444 | | |
| 5445 | | 2102 atoms, 2109 bonds, 136 residues, 2 models selected |
| 5446 | | |
| 5447 | | > select up |
| 5448 | | |
| 5449 | | 3975 atoms, 4014 bonds, 257 residues, 2 models selected |
| 5450 | | |
| 5451 | | > select up |
| 5452 | | |
| 5453 | | 13398 atoms, 13550 bonds, 868 residues, 2 models selected |
| 5454 | | |
| 5455 | | > select up |
| 5456 | | |
| 5457 | | 80898 atoms, 81828 bonds, 5226 residues, 2 models selected |
| 5458 | | |
| 5459 | | > select down |
| 5460 | | |
| 5461 | | 13398 atoms, 13550 bonds, 868 residues, 2 models selected |
| 5462 | | |
| 5463 | | > save |
| 5464 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_deepemhancer_complete_01.cxs |
| 5465 | | |
| 5466 | | Taking snapshot of stepper: 230822_Xt_14-3_6dimers- |
| 5467 | | rotamercorrect_real_space_refined_037.pdb |
| 5468 | | |
| 5469 | | > isolde sim start #5.2/l,a |
| 5470 | | |
| 5471 | | ISOLDE: started sim |
| 5472 | | |
| 5473 | | > isolde sim pause |
| 5474 | | |
| 5475 | | > isolde sim stop discardTo start |
| 5476 | | |
| 5477 | | Sim termination reason: None |
| 5478 | | reverting to start |
| 5479 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5480 | | chains... |
| 5481 | | ISOLDE: stopped sim |
| 5482 | | |
| 5483 | | > select up |
| 5484 | | |
| 5485 | | 4482 atoms, 4521 bonds, 296 residues, 1 model selected |
| 5486 | | |
| 5487 | | > select up |
| 5488 | | |
| 5489 | | 13398 atoms, 13550 bonds, 868 residues, 2 models selected |
| 5490 | | |
| 5491 | | > select up |
| 5492 | | |
| 5493 | | 80898 atoms, 81828 bonds, 5226 residues, 2 models selected |
| 5494 | | |
| 5495 | | > select down |
| 5496 | | |
| 5497 | | 13398 atoms, 13550 bonds, 868 residues, 2 models selected |
| 5498 | | |
| 5499 | | > save |
| 5500 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_deepemhancer_complete_01.pdb |
| 5501 | | > models #5 relModel #5.1.1.1 |
| 5502 | | |
| 5503 | | > select up |
| 5504 | | |
| 5505 | | 2000 atoms, 2020 bonds, 129 residues, 1 model selected |
| 5506 | | |
| 5507 | | > select up |
| 5508 | | |
| 5509 | | 6767 atoms, 6844 bonds, 438 residues, 1 model selected |
| 5510 | | |
| 5511 | | > select up |
| 5512 | | |
| 5513 | | 80898 atoms, 81828 bonds, 5226 residues, 2 models selected |
| 5514 | | |
| 5515 | | > select down |
| 5516 | | |
| 5517 | | 6767 atoms, 6844 bonds, 438 residues, 2 models selected |
| 5518 | | |
| 5519 | | > isolde sim start #5.2/a |
| 5520 | | |
| 5521 | | ISOLDE: started sim |
| 5522 | | |
| 5523 | | > isolde sim pause |
| 5524 | | |
| 5525 | | > isolde sim resume |
| 5526 | | |
| 5527 | | > isolde sim pause |
| 5528 | | |
| 5529 | | > isolde sim stop discardTo start |
| 5530 | | |
| 5531 | | Sim termination reason: None |
| 5532 | | reverting to start |
| 5533 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5534 | | chains... |
| 5535 | | ISOLDE: stopped sim |
| 5536 | | |
| 5537 | | > save |
| 5538 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_deepemhancer_complete_01.cxs |
| 5539 | | |
| 5540 | | Taking snapshot of stepper: 230822_Xt_14-3_6dimers- |
| 5541 | | rotamercorrect_real_space_refined_037.pdb |
| 5542 | | |
| 5543 | | > close session |
| 5544 | | |
| 5545 | | > open |
| 5546 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_deepemhancer_complete_01.pdb |
| 5547 | | |
| 5548 | | Chain information for 231009_Xt_14-3_deepemhancer_complete_01.pdb #1 |
| 5549 | | --- |
| 5550 | | Chain | Description |
| 5551 | | Z a b d f h | No description available |
| 5552 | | k l m n o p | No description available |
| 5553 | | |
| 5554 | | |
| 5555 | | > open |
| 5556 | | > /d/emr214/u/tl002/Xtropicalis_2209/deepemhancer/refine10-repeat/Xt_14-3_refine10repeated_deepemhancer.mrc |
| 5557 | | |
| 5558 | | Opened Xt_14-3_refine10repeated_deepemhancer.mrc as #2, grid size 416,416,416, |
| 5559 | | pixel 1.07, shown at level 0.085, step 2, values float32 |
| 5560 | | |
| 5561 | | > ui tool show "Model Panel" |
| 5562 | | |
| 5563 | | > hide #!2 models |
| 5564 | | |
| 5565 | | > select add #1 |
| 5566 | | |
| 5567 | | 80898 atoms, 81828 bonds, 30 pseudobonds, 5226 residues, 2 models selected |
| 5568 | | |
| 5569 | | > style sel stick |
| 5570 | | |
| 5571 | | Changed 80898 atom styles |
| 5572 | | |
| 5573 | | > hide sel atoms |
| 5574 | | |
| 5575 | | > show sel cartoons |
| 5576 | | |
| 5577 | | > select clear |
| 5578 | | |
| 5579 | | > select up |
| 5580 | | |
| 5581 | | 51831 atoms, 52389 bonds, 3350 residues, 1 model selected |
| 5582 | | |
| 5583 | | > select up |
| 5584 | | |
| 5585 | | 66990 atoms, 67750 bonds, 4340 residues, 1 model selected |
| 5586 | | |
| 5587 | | > select up |
| 5588 | | |
| 5589 | | 80898 atoms, 81828 bonds, 5226 residues, 1 model selected |
| 5590 | | |
| 5591 | | > select down |
| 5592 | | |
| 5593 | | 66990 atoms, 67750 bonds, 4340 residues, 1 model selected |
| 5594 | | |
| 5595 | | > delete atoms sel |
| 5596 | | |
| 5597 | | > delete bonds sel |
| 5598 | | |
| 5599 | | > style stick |
| 5600 | | |
| 5601 | | Changed 13908 atom styles |
| 5602 | | |
| 5603 | | > select add #1 |
| 5604 | | |
| 5605 | | 13908 atoms, 14078 bonds, 5 pseudobonds, 886 residues, 2 models selected |
| 5606 | | |
| 5607 | | > style sel stick |
| 5608 | | |
| 5609 | | Changed 13908 atom styles |
| 5610 | | |
| 5611 | | > show sel atoms |
| 5612 | | |
| 5613 | | > select clear |
| 5614 | | |
| 5615 | | > select up |
| 5616 | | |
| 5617 | | 421 atoms, 436 bonds, 15 residues, 1 model selected |
| 5618 | | |
| 5619 | | > select up |
| 5620 | | |
| 5621 | | 425 atoms, 440 bonds, 15 residues, 1 model selected |
| 5622 | | |
| 5623 | | > select up |
| 5624 | | |
| 5625 | | 13908 atoms, 14078 bonds, 886 residues, 1 model selected |
| 5626 | | |
| 5627 | | > select down |
| 5628 | | |
| 5629 | | 425 atoms, 440 bonds, 15 residues, 1 model selected |
| 5630 | | |
| 5631 | | > delete atoms sel |
| 5632 | | |
| 5633 | | > delete bonds sel |
| 5634 | | |
| 5635 | | > save |
| 5636 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer.pdb |
| 5637 | | > relModel #2 |
| 5638 | | |
| 5639 | | > open |
| 5640 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer.pdb |
| 5641 | | |
| 5642 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer.pdb #3 |
| 5643 | | --- |
| 5644 | | Chain | Description |
| 5645 | | a | No description available |
| 5646 | | l | No description available |
| 5647 | | |
| 5648 | | |
| 5649 | | > open |
| 5650 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer.pdb |
| 5651 | | |
| 5652 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer.pdb #4 |
| 5653 | | --- |
| 5654 | | Chain | Description |
| 5655 | | a | No description available |
| 5656 | | l | No description available |
| 5657 | | |
| 5658 | | |
| 5659 | | > open |
| 5660 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer.pdb |
| 5661 | | |
| 5662 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer.pdb #5 |
| 5663 | | --- |
| 5664 | | Chain | Description |
| 5665 | | a | No description available |
| 5666 | | l | No description available |
| 5667 | | |
| 5668 | | |
| 5669 | | > open |
| 5670 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer.pdb |
| 5671 | | |
| 5672 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer.pdb #6 |
| 5673 | | --- |
| 5674 | | Chain | Description |
| 5675 | | a | No description available |
| 5676 | | l | No description available |
| 5677 | | |
| 5678 | | |
| 5679 | | > open |
| 5680 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer.pdb |
| 5681 | | |
| 5682 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer.pdb #7 |
| 5683 | | --- |
| 5684 | | Chain | Description |
| 5685 | | a | No description available |
| 5686 | | l | No description available |
| 5687 | | |
| 5688 | | |
| 5689 | | > open |
| 5690 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer.pdb |
| 5691 | | |
| 5692 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer.pdb #8 |
| 5693 | | --- |
| 5694 | | Chain | Description |
| 5695 | | a | No description available |
| 5696 | | l | No description available |
| 5697 | | |
| 5698 | | |
| 5699 | | > show #!2 models |
| 5700 | | |
| 5701 | | > select add #3 |
| 5702 | | |
| 5703 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 5704 | | |
| 5705 | | > ui mousemode right "translate selected models" |
| 5706 | | |
| 5707 | | > select subtract #3 |
| 5708 | | |
| 5709 | | Nothing selected |
| 5710 | | |
| 5711 | | > close #4-8 |
| 5712 | | |
| 5713 | | > hide #!1 models |
| 5714 | | |
| 5715 | | > hide #!2 models |
| 5716 | | |
| 5717 | | > close #1 |
| 5718 | | |
| 5719 | | > rename #3/l #3/B |
| 5720 | | |
| 5721 | | No name or id option specified for renaming |
| 5722 | | |
| 5723 | | > rename #3/l B |
| 5724 | | |
| 5725 | | > select up |
| 5726 | | |
| 5727 | | 263 atoms, 265 bonds, 18 residues, 1 model selected |
| 5728 | | |
| 5729 | | > select up |
| 5730 | | |
| 5731 | | 6631 atoms, 6706 bonds, 430 residues, 1 model selected |
| 5732 | | |
| 5733 | | > select clear |
| 5734 | | |
| 5735 | | > ui tool show "Show Sequence Viewer" |
| 5736 | | |
| 5737 | | > sequence chain /a |
| 5738 | | |
| 5739 | | Alignment identifier is 3/a |
| 5740 | | |
| 5741 | | > alter #3/l "B" |
| 5742 | | |
| 5743 | | Unknown command: alter #3/l "B" |
| 5744 | | |
| 5745 | | > changechains #3/l #3/B |
| 5746 | | |
| 5747 | | Missing or invalid "fromIds" argument: Expected a text string |
| 5748 | | |
| 5749 | | > changechains #3/l B |
| 5750 | | |
| 5751 | | Chain IDs of 430 residues changed |
| 5752 | | |
| 5753 | | > changechains #3/F u |
| 5754 | | |
| 5755 | | Chain IDs of 1 residues changed |
| 5756 | | |
| 5757 | | > changechains #3/u n |
| 5758 | | |
| 5759 | | Chain IDs of 1 residues changed |
| 5760 | | |
| 5761 | | > changechains #3/n nt |
| 5762 | | |
| 5763 | | Chain IDs of 1 residues changed |
| 5764 | | |
| 5765 | | > changechains #3/X Nt |
| 5766 | | |
| 5767 | | Chain IDs of 1 residues changed |
| 5768 | | |
| 5769 | | > save |
| 5770 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 5771 | | > relModel #2 |
| 5772 | | |
| 5773 | | > open |
| 5774 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 5775 | | |
| 5776 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #1 |
| 5777 | | --- |
| 5778 | | Chain | Description |
| 5779 | | B | No description available |
| 5780 | | a | No description available |
| 5781 | | |
| 5782 | | |
| 5783 | | > open |
| 5784 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 5785 | | |
| 5786 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #4 |
| 5787 | | --- |
| 5788 | | Chain | Description |
| 5789 | | B | No description available |
| 5790 | | a | No description available |
| 5791 | | |
| 5792 | | |
| 5793 | | > open |
| 5794 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 5795 | | |
| 5796 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 |
| 5797 | | --- |
| 5798 | | Chain | Description |
| 5799 | | B | No description available |
| 5800 | | a | No description available |
| 5801 | | |
| 5802 | | |
| 5803 | | > open |
| 5804 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 5805 | | |
| 5806 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 |
| 5807 | | --- |
| 5808 | | Chain | Description |
| 5809 | | B | No description available |
| 5810 | | a | No description available |
| 5811 | | |
| 5812 | | |
| 5813 | | > open |
| 5814 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 5815 | | |
| 5816 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 |
| 5817 | | --- |
| 5818 | | Chain | Description |
| 5819 | | B | No description available |
| 5820 | | a | No description available |
| 5821 | | |
| 5822 | | |
| 5823 | | > open |
| 5824 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 5825 | | |
| 5826 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 |
| 5827 | | --- |
| 5828 | | Chain | Description |
| 5829 | | B | No description available |
| 5830 | | a | No description available |
| 5831 | | |
| 5832 | | |
| 5833 | | > open |
| 5834 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 5835 | | |
| 5836 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 |
| 5837 | | --- |
| 5838 | | Chain | Description |
| 5839 | | B | No description available |
| 5840 | | a | No description available |
| 5841 | | |
| 5842 | | |
| 5843 | | > select add #4 |
| 5844 | | |
| 5845 | | 13485 atoms, 13639 bonds, 5 pseudobonds, 872 residues, 3 models selected |
| 5846 | | |
| 5847 | | > ui mousemode right "translate selected models" |
| 5848 | | |
| 5849 | | > select add #2 |
| 5850 | | |
| 5851 | | 13485 atoms, 13639 bonds, 5 pseudobonds, 872 residues, 5 models selected |
| 5852 | | |
| 5853 | | > select subtract #2 |
| 5854 | | |
| 5855 | | 13485 atoms, 13639 bonds, 5 pseudobonds, 872 residues, 3 models selected |
| 5856 | | |
| 5857 | | > show #!2 models |
| 5858 | | |
| 5859 | | > select add #3 |
| 5860 | | |
| 5861 | | 26966 atoms, 27276 bonds, 10 pseudobonds, 1742 residues, 4 models selected |
| 5862 | | |
| 5863 | | > select subtract #3 |
| 5864 | | |
| 5865 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 5866 | | |
| 5867 | | > view matrix models #4,1,0,0,-22.579,0,1,0,47.444,0,0,1,-71.264 |
| 5868 | | |
| 5869 | | > view matrix models #4,1,0,0,-21.42,0,1,0,49.646,0,0,1,-75.879 |
| 5870 | | |
| 5871 | | > view matrix models #4,1,0,0,-19.525,0,1,0,46.307,0,0,1,-69.977 |
| 5872 | | |
| 5873 | | > select add #5 |
| 5874 | | |
| 5875 | | 26966 atoms, 27276 bonds, 10 pseudobonds, 1742 residues, 4 models selected |
| 5876 | | |
| 5877 | | > view matrix models |
| 5878 | | > #4,1,0,0,-20.325,0,1,0,47.211,0,0,1,-73.546,#5,1,0,0,-0.80011,0,1,0,0.9043,0,0,1,-3.5689 |
| 5879 | | |
| 5880 | | > select subtract #4 |
| 5881 | | |
| 5882 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 5883 | | |
| 5884 | | > view matrix models #5,1,0,0,-0.31573,0,1,0,-4.9415,0,0,1,-79.536 |
| 5885 | | |
| 5886 | | > select add #6 |
| 5887 | | |
| 5888 | | 26966 atoms, 27276 bonds, 10 pseudobonds, 1742 residues, 4 models selected |
| 5889 | | |
| 5890 | | > select subtract #5 |
| 5891 | | |
| 5892 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 5893 | | |
| 5894 | | > select add #9 |
| 5895 | | |
| 5896 | | 26966 atoms, 27276 bonds, 10 pseudobonds, 1742 residues, 4 models selected |
| 5897 | | |
| 5898 | | > view matrix models |
| 5899 | | > #6,1,0,0,27.558,0,1,0,-40.023,0,0,1,-7.967,#9,1,0,0,27.558,0,1,0,-40.023,0,0,1,-7.967 |
| 5900 | | |
| 5901 | | > view matrix models |
| 5902 | | > #6,1,0,0,33.949,0,1,0,-32.175,0,0,1,-4.2184,#9,1,0,0,33.949,0,1,0,-32.175,0,0,1,-4.2184 |
| 5903 | | |
| 5904 | | > select subtract #9 |
| 5905 | | |
| 5906 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 5907 | | |
| 5908 | | > view matrix models #6,1,0,0,37.94,0,1,0,-32.997,0,0,1,-91.497 |
| 5909 | | |
| 5910 | | > select add #8 |
| 5911 | | |
| 5912 | | 26966 atoms, 27276 bonds, 10 pseudobonds, 1742 residues, 4 models selected |
| 5913 | | |
| 5914 | | > select subtract #6 |
| 5915 | | |
| 5916 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 5917 | | |
| 5918 | | > view matrix models #8,1,0,0,-10.621,0,1,0,51.961,0,0,1,8.8295 |
| 5919 | | |
| 5920 | | > ui mousemode right "rotate selected models" |
| 5921 | | |
| 5922 | | > view matrix models |
| 5923 | | > #8,0.91279,0.40204,-0.071999,-45.995,-0.40497,0.91378,-0.031653,124.06,0.053066,0.05805,0.9969,-6.2759 |
| 5924 | | |
| 5925 | | > ui mousemode right "translate selected models" |
| 5926 | | |
| 5927 | | > view matrix models |
| 5928 | | > #8,0.91279,0.40204,-0.071999,-53.237,-0.40497,0.91378,-0.031653,120.3,0.053066,0.05805,0.9969,-4.4944 |
| 5929 | | |
| 5930 | | > ui tool show "Fit in Map" |
| 5931 | | |
| 5932 | | > fitmap #4 inMap #2 |
| 5933 | | |
| 5934 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#4) to map |
| 5935 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 5936 | | average map value = 0.1827, steps = 132 |
| 5937 | | shifted from previous position = 1.17 |
| 5938 | | rotated from previous position = 24.6 degrees |
| 5939 | | atoms outside contour = 5510, contour level = 0.085003 |
| 5940 | | |
| 5941 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#4) relative to |
| 5942 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 5943 | | Matrix rotation and translation |
| 5944 | | 0.90927753 0.41617495 -0.00357668 -71.42299439 |
| 5945 | | -0.41618618 0.90927322 -0.00335753 113.23103296 |
| 5946 | | 0.00185486 0.00454149 0.99998797 -74.03085494 |
| 5947 | | Axis 0.00948927 -0.00652502 -0.99993369 |
| 5948 | | Axis point 224.75324293 222.26752299 0.00000000 |
| 5949 | | Rotation angle (degrees) 24.59542336 |
| 5950 | | Shift along axis 72.60935880 |
| 5951 | | |
| 5952 | | |
| 5953 | | > fitmap #5 inMap #2 |
| 5954 | | |
| 5955 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#5) to map |
| 5956 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 5957 | | average map value = 0.2277, steps = 56 |
| 5958 | | shifted from previous position = 3.52 |
| 5959 | | rotated from previous position = 0.507 degrees |
| 5960 | | atoms outside contour = 4746, contour level = 0.085003 |
| 5961 | | |
| 5962 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#5) relative to |
| 5963 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 5964 | | Matrix rotation and translation |
| 5965 | | 0.99996277 -0.00802522 -0.00317206 2.96060465 |
| 5966 | | 0.00801892 0.99996586 -0.00199420 -2.61563942 |
| 5967 | | 0.00318795 0.00196869 0.99999298 -81.73309330 |
| 5968 | | Axis 0.22379300 -0.35916296 0.90604562 |
| 5969 | | Axis point 3581.36700243 2372.70633756 0.00000000 |
| 5970 | | Rotation angle (degrees) 0.50729967 |
| 5971 | | Shift along axis -72.45190761 |
| 5972 | | |
| 5973 | | |
| 5974 | | > fitmap #6 inMap #2 |
| 5975 | | |
| 5976 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#6) to map |
| 5977 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 5978 | | average map value = 0.1108, steps = 92 |
| 5979 | | shifted from previous position = 1.14 |
| 5980 | | rotated from previous position = 3.78 degrees |
| 5981 | | atoms outside contour = 8219, contour level = 0.085003 |
| 5982 | | |
| 5983 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#6) relative to |
| 5984 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 5985 | | Matrix rotation and translation |
| 5986 | | 0.99791113 -0.06374892 0.01046185 45.16738554 |
| 5987 | | 0.06360179 0.99787938 0.01384046 -43.38054481 |
| 5988 | | -0.01132198 -0.01314616 0.99984948 -89.04244874 |
| 5989 | | Axis -0.20446162 0.16504314 0.96486072 |
| 5990 | | Axis point 428.79513309 366.33696669 0.00000000 |
| 5991 | | Rotation angle (degrees) 3.78394760 |
| 5992 | | Shift along axis -102.30821912 |
| 5993 | | |
| 5994 | | |
| 5995 | | > fitmap #7 inMap #2 |
| 5996 | | |
| 5997 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#7) to map |
| 5998 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 5999 | | average map value = 0.2314, steps = 48 |
| 6000 | | shifted from previous position = 0.167 |
| 6001 | | rotated from previous position = 0.232 degrees |
| 6002 | | atoms outside contour = 4690, contour level = 0.085003 |
| 6003 | | |
| 6004 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#7) relative to |
| 6005 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6006 | | Matrix rotation and translation |
| 6007 | | 0.99999618 -0.00096541 -0.00258957 0.66695892 |
| 6008 | | 0.00095773 0.99999514 -0.00296639 0.39202863 |
| 6009 | | 0.00259242 0.00296390 0.99999225 -0.76327765 |
| 6010 | | Axis 0.73152263 -0.63921682 0.23722668 |
| 6011 | | Axis point 0.00000000 262.40231940 143.84493388 |
| 6012 | | Rotation angle (degrees) 0.23224239 |
| 6013 | | Shift along axis 0.05623443 |
| 6014 | | |
| 6015 | | |
| 6016 | | > fitmap #8 inMap #2 |
| 6017 | | |
| 6018 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#8) to map |
| 6019 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 6020 | | average map value = 0.1816, steps = 60 |
| 6021 | | shifted from previous position = 3.11 |
| 6022 | | rotated from previous position = 4.32 degrees |
| 6023 | | atoms outside contour = 5511, contour level = 0.085003 |
| 6024 | | |
| 6025 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#8) relative to |
| 6026 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6027 | | Matrix rotation and translation |
| 6028 | | 0.90624613 0.42272074 -0.00501242 -72.38351885 |
| 6029 | | -0.42274008 0.90624326 -0.00373880 116.59850087 |
| 6030 | | 0.00296200 0.00550722 0.99998045 6.67842804 |
| 6031 | | Axis 0.01093493 -0.00943105 -0.99989574 |
| 6032 | | Axis point 226.55366002 221.25742026 0.00000000 |
| 6033 | | Rotation angle (degrees) 25.00987709 |
| 6034 | | Shift along axis -8.56888720 |
| 6035 | | |
| 6036 | | |
| 6037 | | > fitmap #9 inMap #2 |
| 6038 | | |
| 6039 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#9) to map |
| 6040 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 6041 | | average map value = 0.1189, steps = 188 |
| 6042 | | shifted from previous position = 8.22 |
| 6043 | | rotated from previous position = 25.9 degrees |
| 6044 | | atoms outside contour = 7855, contour level = 0.085003 |
| 6045 | | |
| 6046 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#9) relative to |
| 6047 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6048 | | Matrix rotation and translation |
| 6049 | | 0.89984896 -0.43619330 0.00269247 120.11233580 |
| 6050 | | 0.43598998 0.89920299 -0.03669757 -65.11344719 |
| 6051 | | 0.01358615 0.03419616 0.99932279 -10.04069920 |
| 6052 | | Axis 0.08100959 -0.01244811 0.99663559 |
| 6053 | | Axis point 202.23491524 228.83214774 0.00000000 |
| 6054 | | Rotation angle (degrees) 25.94854419 |
| 6055 | | Shift along axis 0.53387244 |
| 6056 | | |
| 6057 | | |
| 6058 | | > select subtract #8 |
| 6059 | | |
| 6060 | | Nothing selected |
| 6061 | | |
| 6062 | | > select add #2 |
| 6063 | | |
| 6064 | | 4 models selected |
| 6065 | | |
| 6066 | | > select subtract #2 |
| 6067 | | |
| 6068 | | Nothing selected |
| 6069 | | |
| 6070 | | > select add #2 |
| 6071 | | |
| 6072 | | 4 models selected |
| 6073 | | |
| 6074 | | > transparency #2.1 40 |
| 6075 | | |
| 6076 | | > volume #2 step 1 |
| 6077 | | |
| 6078 | | > select clear |
| 6079 | | |
| 6080 | | > volume #2 level 0.228 |
| 6081 | | |
| 6082 | | > select add #6 |
| 6083 | | |
| 6084 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 6085 | | |
| 6086 | | > view matrix models |
| 6087 | | > #6,0.99791,-0.063749,0.010462,48.895,0.063602,0.99788,0.01384,-48.589,-0.011322,-0.013146,0.99985,-91.152 |
| 6088 | | |
| 6089 | | > view matrix models |
| 6090 | | > #6,0.99791,-0.063749,0.010462,52.705,0.063602,0.99788,0.01384,-45.701,-0.011322,-0.013146,0.99985,-90.668 |
| 6091 | | |
| 6092 | | > select add #9 |
| 6093 | | |
| 6094 | | 26966 atoms, 27276 bonds, 10 pseudobonds, 1742 residues, 4 models selected |
| 6095 | | |
| 6096 | | > view matrix models |
| 6097 | | > #6,0.99791,-0.063749,0.010462,55.14,0.063602,0.99788,0.01384,-43.771,-0.011322,-0.013146,0.99985,-89.551,#9,0.89985,-0.43619,0.0026925,122.55,0.43599,0.8992,-0.036698,-63.184,0.013586,0.034196,0.99932,-8.9237 |
| 6098 | | |
| 6099 | | > view matrix models |
| 6100 | | > #6,0.99791,-0.063749,0.010462,53.257,0.063602,0.99788,0.01384,-45.588,-0.011322,-0.013146,0.99985,-93.547,#9,0.89985,-0.43619,0.0026925,120.66,0.43599,0.8992,-0.036698,-65,0.013586,0.034196,0.99932,-12.92 |
| 6101 | | |
| 6102 | | > select subtract #6 |
| 6103 | | |
| 6104 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 6105 | | |
| 6106 | | > view matrix models |
| 6107 | | > #9,0.89985,-0.43619,0.0026925,118.48,0.43599,0.8992,-0.036698,-63.949,0.013586,0.034196,0.99932,-15.772 |
| 6108 | | |
| 6109 | | > ui mousemode right "rotate selected models" |
| 6110 | | |
| 6111 | | > view matrix models |
| 6112 | | > #9,0.77859,-0.62291,0.076103,146.53,0.62607,0.77933,-0.02622,-71.819,-0.042976,0.06806,0.99676,-13.271 |
| 6113 | | |
| 6114 | | > select add #6 |
| 6115 | | |
| 6116 | | 26966 atoms, 27276 bonds, 10 pseudobonds, 1742 residues, 4 models selected |
| 6117 | | |
| 6118 | | > select subtract #9 |
| 6119 | | |
| 6120 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 6121 | | |
| 6122 | | > ui mousemode right "rotate selected models" |
| 6123 | | |
| 6124 | | > view matrix models |
| 6125 | | > #6,0.90053,-0.43374,0.030229,118.87,0.43479,0.89867,-0.057958,-61.253,-0.0020271,0.065336,0.99786,-106.51 |
| 6126 | | |
| 6127 | | > ui mousemode right "translate selected models" |
| 6128 | | |
| 6129 | | > view matrix models |
| 6130 | | > #6,0.90053,-0.43374,0.030229,117.96,0.43479,0.89867,-0.057958,-58.063,-0.0020271,0.065336,0.99786,-99.02 |
| 6131 | | |
| 6132 | | > fitmap #9 inMap #2 |
| 6133 | | |
| 6134 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#9) to map |
| 6135 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 6136 | | average map value = 0.2068, steps = 76 |
| 6137 | | shifted from previous position = 2.83 |
| 6138 | | rotated from previous position = 13.9 degrees |
| 6139 | | atoms outside contour = 8856, contour level = 0.228 |
| 6140 | | |
| 6141 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#9) relative to |
| 6142 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6143 | | Matrix rotation and translation |
| 6144 | | 0.90186856 -0.43199588 0.00355729 117.86366547 |
| 6145 | | 0.43199178 0.90187556 0.00188863 -74.73025663 |
| 6146 | | -0.00402411 -0.00016658 0.99999189 -7.44055541 |
| 6147 | | Axis -0.00237866 0.00877453 0.99995867 |
| 6148 | | Axis point 223.26248207 222.07311904 0.00000000 |
| 6149 | | Rotation angle (degrees) 25.59529472 |
| 6150 | | Shift along axis -8.37632790 |
| 6151 | | |
| 6152 | | |
| 6153 | | > fitmap #6 inMap #2 |
| 6154 | | |
| 6155 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#6) to map |
| 6156 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 6157 | | average map value = 0.2107, steps = 76 |
| 6158 | | shifted from previous position = 6.42 |
| 6159 | | rotated from previous position = 3.77 degrees |
| 6160 | | atoms outside contour = 8792, contour level = 0.228 |
| 6161 | | |
| 6162 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#6) relative to |
| 6163 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6164 | | Matrix rotation and translation |
| 6165 | | 0.89927581 -0.43736394 0.00397652 120.21648837 |
| 6166 | | 0.43735856 0.89928457 0.00218009 -76.65766086 |
| 6167 | | -0.00452951 -0.00022134 0.99998972 -88.42217994 |
| 6168 | | Axis -0.00274523 0.00972376 0.99994895 |
| 6169 | | Axis point 224.54330296 222.59234931 0.00000000 |
| 6170 | | Rotation angle (degrees) 25.93706162 |
| 6171 | | Shift along axis -89.49308936 |
| 6172 | | |
| 6173 | | |
| 6174 | | > fitmap #6 inMap #2 |
| 6175 | | |
| 6176 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#6) to map |
| 6177 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 6178 | | average map value = 0.2107, steps = 28 |
| 6179 | | shifted from previous position = 0.0192 |
| 6180 | | rotated from previous position = 0.0148 degrees |
| 6181 | | atoms outside contour = 8796, contour level = 0.228 |
| 6182 | | |
| 6183 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#6) relative to |
| 6184 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6185 | | Matrix rotation and translation |
| 6186 | | 0.89933439 -0.43724539 0.00375689 120.24269167 |
| 6187 | | 0.43724018 0.89934219 0.00215515 -76.65069961 |
| 6188 | | -0.00432106 -0.00029554 0.99999062 -88.41900835 |
| 6189 | | Axis -0.00280231 0.00923693 0.99995341 |
| 6190 | | Axis point 224.68371772 222.69891567 0.00000000 |
| 6191 | | Rotation angle (degrees) 25.92938976 |
| 6192 | | Shift along axis -89.45986421 |
| 6193 | | |
| 6194 | | |
| 6195 | | > hide #!1 models |
| 6196 | | |
| 6197 | | > fitmap #4 inMap #2 |
| 6198 | | |
| 6199 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#4) to map |
| 6200 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 6201 | | average map value = 0.1827, steps = 48 |
| 6202 | | shifted from previous position = 0.00491 |
| 6203 | | rotated from previous position = 0.0248 degrees |
| 6204 | | atoms outside contour = 9446, contour level = 0.228 |
| 6205 | | |
| 6206 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#4) relative to |
| 6207 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6208 | | Matrix rotation and translation |
| 6209 | | 0.90928978 0.41614780 -0.00361878 -71.41091068 |
| 6210 | | -0.41615838 0.90928743 -0.00292816 113.12518140 |
| 6211 | | 0.00207197 0.00416853 0.99998917 -73.99873420 |
| 6212 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 6213 | | Axis point 224.62336106 222.05003957 0.00000000 |
| 6214 | | Rotation angle (degrees) 24.59351935 |
| 6215 | | Shift along axis 72.61203568 |
| 6216 | | |
| 6217 | | |
| 6218 | | > fitmap #5 inMap #2 |
| 6219 | | |
| 6220 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#5) to map |
| 6221 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 6222 | | average map value = 0.2277, steps = 40 |
| 6223 | | shifted from previous position = 0.00381 |
| 6224 | | rotated from previous position = 0.015 degrees |
| 6225 | | atoms outside contour = 8516, contour level = 0.228 |
| 6226 | | |
| 6227 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#5) relative to |
| 6228 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6229 | | Matrix rotation and translation |
| 6230 | | 0.99996338 -0.00800961 -0.00301512 2.92297229 |
| 6231 | | 0.00800299 0.99996555 -0.00220346 -2.56635404 |
| 6232 | | 0.00303267 0.00217925 0.99999303 -81.74918750 |
| 6233 | | Axis 0.24804734 -0.34228600 0.90626310 |
| 6234 | | Axis point 3431.91464568 2593.93915056 0.00000000 |
| 6235 | | Rotation angle (degrees) 0.50618108 |
| 6236 | | Shift along axis -72.48280982 |
| 6237 | | |
| 6238 | | |
| 6239 | | > fitmap #6 inMap #2 |
| 6240 | | |
| 6241 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#6) to map |
| 6242 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 6243 | | average map value = 0.2107, steps = 40 |
| 6244 | | shifted from previous position = 0.00122 |
| 6245 | | rotated from previous position = 0.00961 degrees |
| 6246 | | atoms outside contour = 8796, contour level = 0.228 |
| 6247 | | |
| 6248 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#6) relative to |
| 6249 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6250 | | Matrix rotation and translation |
| 6251 | | 0.89926721 -0.43738392 0.00371449 120.28172204 |
| 6252 | | 0.43737894 0.89927484 0.00210421 -76.64623236 |
| 6253 | | -0.00426070 -0.00026761 0.99999089 -88.42975218 |
| 6254 | | Axis -0.00271127 0.00911655 0.99995477 |
| 6255 | | Axis point 224.66308739 222.70653660 0.00000000 |
| 6256 | | Rotation angle (degrees) 25.93818546 |
| 6257 | | Shift along axis -89.45061771 |
| 6258 | | |
| 6259 | | |
| 6260 | | > fitmap #7 inMap #2 |
| 6261 | | |
| 6262 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#7) to map |
| 6263 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 6264 | | average map value = 0.2313, steps = 44 |
| 6265 | | shifted from previous position = 0.0157 |
| 6266 | | rotated from previous position = 0.0186 degrees |
| 6267 | | atoms outside contour = 8391, contour level = 0.228 |
| 6268 | | |
| 6269 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#7) relative to |
| 6270 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6271 | | Matrix rotation and translation |
| 6272 | | 0.99999562 -0.00102630 -0.00277473 0.72291447 |
| 6273 | | 0.00101879 0.99999582 -0.00270701 0.31246423 |
| 6274 | | 0.00277750 0.00270417 0.99999249 -0.74092397 |
| 6275 | | Axis 0.67486817 -0.69245785 0.25505897 |
| 6276 | | Axis point 274.98731741 0.00000000 240.02994251 |
| 6277 | | Rotation angle (degrees) 0.22970342 |
| 6278 | | Shift along axis 0.08252435 |
| 6279 | | |
| 6280 | | |
| 6281 | | > fitmap #8 inMap #2 |
| 6282 | | |
| 6283 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#8) to map |
| 6284 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 6285 | | average map value = 0.1816, steps = 44 |
| 6286 | | shifted from previous position = 0.00457 |
| 6287 | | rotated from previous position = 0.00164 degrees |
| 6288 | | atoms outside contour = 9523, contour level = 0.228 |
| 6289 | | |
| 6290 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#8) relative to |
| 6291 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6292 | | Matrix rotation and translation |
| 6293 | | 0.90625709 0.42269715 -0.00502122 -72.37947487 |
| 6294 | | -0.42271656 0.90625420 -0.00374681 116.59274764 |
| 6295 | | 0.00296674 0.00551813 0.99998037 6.67969942 |
| 6296 | | Axis 0.01095791 -0.00944759 -0.99989533 |
| 6297 | | Axis point 226.55851759 221.25481916 0.00000000 |
| 6298 | | Rotation angle (degrees) 25.00839837 |
| 6299 | | Shift along axis -8.57364900 |
| 6300 | | |
| 6301 | | |
| 6302 | | > fitmap #9 inMap #2 |
| 6303 | | |
| 6304 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#9) to map |
| 6305 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 6306 | | average map value = 0.2068, steps = 36 |
| 6307 | | shifted from previous position = 0.00541 |
| 6308 | | rotated from previous position = 0.0098 degrees |
| 6309 | | atoms outside contour = 8862, contour level = 0.228 |
| 6310 | | |
| 6311 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#9) relative to |
| 6312 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6313 | | Matrix rotation and translation |
| 6314 | | 0.90186365 -0.43200678 0.00347788 117.88500322 |
| 6315 | | 0.43200329 0.90187035 0.00173774 -74.69689225 |
| 6316 | | -0.00388731 -0.00006475 0.99999244 -7.46810848 |
| 6317 | | Axis -0.00208611 0.00852410 0.99996149 |
| 6318 | | Axis point 223.20119566 222.13408793 0.00000000 |
| 6319 | | Rotation angle (degrees) 25.59592919 |
| 6320 | | Shift along axis -8.35046606 |
| 6321 | | |
| 6322 | | |
| 6323 | | > select clear |
| 6324 | | |
| 6325 | | > combine #4-9 |
| 6326 | | |
| 6327 | | Remapping chain ID 'B' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'C' |
| 6328 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'N' |
| 6329 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'Nu' |
| 6330 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'b' |
| 6331 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'nu' |
| 6332 | | Remapping chain ID 'B' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'D' |
| 6333 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'O' |
| 6334 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'Nv' |
| 6335 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'c' |
| 6336 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'nv' |
| 6337 | | Remapping chain ID 'B' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'E' |
| 6338 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'P' |
| 6339 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'Nw' |
| 6340 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'd' |
| 6341 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'nw' |
| 6342 | | Remapping chain ID 'B' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'F' |
| 6343 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'Q' |
| 6344 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'Nx' |
| 6345 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'e' |
| 6346 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'nx' |
| 6347 | | Remapping chain ID 'B' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'G' |
| 6348 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'R' |
| 6349 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'Ny' |
| 6350 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'f' |
| 6351 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'ny' |
| 6352 | | |
| 6353 | | > hide #!4-9 target m |
| 6354 | | |
| 6355 | | > hide #!3 models |
| 6356 | | |
| 6357 | | > hide #!2 models |
| 6358 | | |
| 6359 | | > show #!2 models |
| 6360 | | |
| 6361 | | > hide #!2 models |
| 6362 | | |
| 6363 | | > show #!2 models |
| 6364 | | |
| 6365 | | > hide #!2 models |
| 6366 | | |
| 6367 | | > show #!2 models |
| 6368 | | |
| 6369 | | > split #10 |
| 6370 | | |
| 6371 | | Split combination (#10) into 30 models |
| 6372 | | Chain information for combination B #10.1 |
| 6373 | | --- |
| 6374 | | Chain | Description |
| 6375 | | B | No description available |
| 6376 | | |
| 6377 | | Chain information for combination C #10.2 |
| 6378 | | --- |
| 6379 | | Chain | Description |
| 6380 | | C | No description available |
| 6381 | | |
| 6382 | | Chain information for combination D #10.3 |
| 6383 | | --- |
| 6384 | | Chain | Description |
| 6385 | | D | No description available |
| 6386 | | |
| 6387 | | Chain information for combination E #10.4 |
| 6388 | | --- |
| 6389 | | Chain | Description |
| 6390 | | E | No description available |
| 6391 | | |
| 6392 | | Chain information for combination F #10.5 |
| 6393 | | --- |
| 6394 | | Chain | Description |
| 6395 | | F | No description available |
| 6396 | | |
| 6397 | | Chain information for combination G #10.6 |
| 6398 | | --- |
| 6399 | | Chain | Description |
| 6400 | | G | No description available |
| 6401 | | |
| 6402 | | Chain information for combination a #10.19 |
| 6403 | | --- |
| 6404 | | Chain | Description |
| 6405 | | a | No description available |
| 6406 | | |
| 6407 | | Chain information for combination b #10.20 |
| 6408 | | --- |
| 6409 | | Chain | Description |
| 6410 | | b | No description available |
| 6411 | | |
| 6412 | | Chain information for combination c #10.21 |
| 6413 | | --- |
| 6414 | | Chain | Description |
| 6415 | | c | No description available |
| 6416 | | |
| 6417 | | Chain information for combination d #10.22 |
| 6418 | | --- |
| 6419 | | Chain | Description |
| 6420 | | d | No description available |
| 6421 | | |
| 6422 | | Chain information for combination e #10.23 |
| 6423 | | --- |
| 6424 | | Chain | Description |
| 6425 | | e | No description available |
| 6426 | | |
| 6427 | | Chain information for combination f #10.24 |
| 6428 | | --- |
| 6429 | | Chain | Description |
| 6430 | | f | No description available |
| 6431 | | |
| 6432 | | |
| 6433 | | > fitmap #10 #3 eachModel true |
| 6434 | | |
| 6435 | | Missing required "in_map" argument |
| 6436 | | Must specify one map, got 0 |
| 6437 | | Must specify one map, got 0 |
| 6438 | | |
| 6439 | | > fitmap #10 inMap #2 eachModel true |
| 6440 | | |
| 6441 | | Fit molecule combination B (#10.1) to map |
| 6442 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 6443 | | average map value = 0.1856, steps = 48 |
| 6444 | | shifted from previous position = 0.118 |
| 6445 | | rotated from previous position = 0.303 degrees |
| 6446 | | atoms outside contour = 4617, contour level = 0.228 |
| 6447 | | |
| 6448 | | Position of combination B (#10.1) relative to |
| 6449 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6450 | | Matrix rotation and translation |
| 6451 | | 0.90856223 0.41774747 0.00131220 -72.45859781 |
| 6452 | | -0.41774068 0.90855895 -0.00365354 113.61423851 |
| 6453 | | -0.00271846 0.00277131 0.99999246 -73.20969250 |
| 6454 | | Axis 0.00768961 0.00482412 -0.99995880 |
| 6455 | | Axis point 222.21854498 223.43792249 0.00000000 |
| 6456 | | Rotation angle (degrees) 24.69332879 |
| 6457 | | Shift along axis 73.19758639 |
| 6458 | | |
| 6459 | | Fit molecule combination C (#10.2) to map |
| 6460 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 6461 | | average map value = 0.2259, steps = 44 |
| 6462 | | shifted from previous position = 0.0358 |
| 6463 | | rotated from previous position = 0.124 degrees |
| 6464 | | atoms outside contour = 4197, contour level = 0.228 |
| 6465 | | |
| 6466 | | Position of combination C (#10.2) relative to |
| 6467 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6468 | | Matrix rotation and translation |
| 6469 | | 0.90841180 0.41805997 -0.00372220 -71.48911868 |
| 6470 | | -0.41806992 0.90841152 -0.00246033 113.48008830 |
| 6471 | | 0.00235273 0.00379113 0.99999005 -74.00456354 |
| 6472 | | Axis 0.00747626 -0.00726513 -0.99994566 |
| 6473 | | Axis point 224.19352647 221.41724436 0.00000000 |
| 6474 | | Rotation angle (degrees) 24.71391262 |
| 6475 | | Shift along axis 72.64162276 |
| 6476 | | |
| 6477 | | Fit molecule combination D (#10.3) to map |
| 6478 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 6479 | | average map value = 0.2103, steps = 36 |
| 6480 | | shifted from previous position = 0.0972 |
| 6481 | | rotated from previous position = 0.207 degrees |
| 6482 | | atoms outside contour = 4323, contour level = 0.228 |
| 6483 | | |
| 6484 | | Position of combination D (#10.3) relative to |
| 6485 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6486 | | Matrix rotation and translation |
| 6487 | | 0.90846584 0.41791405 -0.00613712 -71.03049628 |
| 6488 | | -0.41792839 0.90847916 -0.00121646 113.29141762 |
| 6489 | | 0.00506708 0.00366999 0.99998043 -74.60713379 |
| 6490 | | Axis 0.00584551 -0.01340325 -0.99989309 |
| 6491 | | Axis point 225.16655815 220.29815584 0.00000000 |
| 6492 | | Rotation angle (degrees) 24.70623321 |
| 6493 | | Shift along axis 72.66547535 |
| 6494 | | |
| 6495 | | Fit molecule combination E (#10.4) to map |
| 6496 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 6497 | | average map value = 0.2277, steps = 48 |
| 6498 | | shifted from previous position = 0.0821 |
| 6499 | | rotated from previous position = 0.245 degrees |
| 6500 | | atoms outside contour = 4147, contour level = 0.228 |
| 6501 | | |
| 6502 | | Position of combination E (#10.4) relative to |
| 6503 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6504 | | Matrix rotation and translation |
| 6505 | | 0.90760803 0.41978943 -0.00494892 -71.23798631 |
| 6506 | | -0.41980792 0.90760596 -0.00356842 114.13288484 |
| 6507 | | 0.00299369 0.00531632 0.99998139 -74.34404603 |
| 6508 | | Axis 0.01058107 -0.00945907 -0.99989928 |
| 6509 | | Axis point 224.86017439 221.01657486 0.00000000 |
| 6510 | | Rotation angle (degrees) 24.82454721 |
| 6511 | | Shift along axis 72.50319218 |
| 6512 | | |
| 6513 | | Fit molecule combination F (#10.5) to map |
| 6514 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 6515 | | average map value = 0.1861, steps = 48 |
| 6516 | | shifted from previous position = 0.117 |
| 6517 | | rotated from previous position = 0.321 degrees |
| 6518 | | atoms outside contour = 4633, contour level = 0.228 |
| 6519 | | |
| 6520 | | Position of combination F (#10.5) relative to |
| 6521 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6522 | | Matrix rotation and translation |
| 6523 | | 0.90886080 0.41709533 0.00188102 -72.96251634 |
| 6524 | | -0.41708981 0.90886114 -0.00274199 113.27406769 |
| 6525 | | -0.00285325 0.00170754 0.99999447 -73.03957239 |
| 6526 | | Axis 0.00533382 0.00567515 -0.99996967 |
| 6527 | | Axis point 221.57616952 224.28377039 0.00000000 |
| 6528 | | Rotation angle (degrees) 24.65196237 |
| 6529 | | Shift along axis 73.29103580 |
| 6530 | | |
| 6531 | | Fit molecule combination G (#10.6) to map |
| 6532 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 6533 | | average map value = 0.2085, steps = 40 |
| 6534 | | shifted from previous position = 0.104 |
| 6535 | | rotated from previous position = 0.18 degrees |
| 6536 | | atoms outside contour = 4329, contour level = 0.228 |
| 6537 | | |
| 6538 | | Position of combination G (#10.6) relative to |
| 6539 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6540 | | Matrix rotation and translation |
| 6541 | | 0.90834012 0.41820221 -0.00501391 -71.13412774 |
| 6542 | | -0.41821275 0.90834828 -0.00122854 113.22854144 |
| 6543 | | 0.00404059 0.00321281 0.99998668 -74.36842227 |
| 6544 | | Axis 0.00530960 -0.01082458 -0.99992732 |
| 6545 | | Axis point 224.37104405 220.19557474 0.00000000 |
| 6546 | | Rotation angle (degrees) 24.72338719 |
| 6547 | | Shift along axis 72.75967100 |
| 6548 | | |
| 6549 | | Fit molecule combination M (#10.7) to map |
| 6550 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 6551 | | average map value = 1.074, steps = 60 |
| 6552 | | shifted from previous position = 3.74 |
| 6553 | | rotated from previous position = 0 degrees |
| 6554 | | atoms outside contour = 0, contour level = 0.228 |
| 6555 | | |
| 6556 | | Position of combination M (#10.7) relative to |
| 6557 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6558 | | Matrix rotation and translation |
| 6559 | | 0.90928978 0.41614780 -0.00361878 -74.20933506 |
| 6560 | | -0.41615838 0.90928743 -0.00292816 113.43152161 |
| 6561 | | 0.00207197 0.00416853 0.99998917 -71.53435666 |
| 6562 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 6563 | | Axis point 223.89833435 228.56557478 0.00000000 |
| 6564 | | Rotation angle (degrees) 24.59351935 |
| 6565 | | Shift along axis 70.12185146 |
| 6566 | | |
| 6567 | | Fit molecule combination N (#10.8) to map |
| 6568 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 6569 | | average map value = 1.121, steps = 60 |
| 6570 | | shifted from previous position = 3.39 |
| 6571 | | rotated from previous position = 0 degrees |
| 6572 | | atoms outside contour = 0, contour level = 0.228 |
| 6573 | | |
| 6574 | | Position of combination N (#10.8) relative to |
| 6575 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6576 | | Matrix rotation and translation |
| 6577 | | 0.90928978 0.41614780 -0.00361878 -73.18594767 |
| 6578 | | -0.41615838 0.90928743 -0.00292816 113.07289435 |
| 6579 | | 0.00207197 0.00416853 0.99998917 -71.11045068 |
| 6580 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 6581 | | Axis point 223.58268335 226.02912291 0.00000000 |
| 6582 | | Rotation angle (degrees) 24.59351935 |
| 6583 | | Shift along axis 69.70914813 |
| 6584 | | |
| 6585 | | Fit molecule combination Nt (#10.9) to map |
| 6586 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 6587 | | average map value = 0.4218, steps = 56 |
| 6588 | | shifted from previous position = 0.377 |
| 6589 | | rotated from previous position = 25.8 degrees |
| 6590 | | atoms outside contour = 12, contour level = 0.228 |
| 6591 | | |
| 6592 | | Position of combination Nt (#10.9) relative to |
| 6593 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6594 | | Matrix rotation and translation |
| 6595 | | 0.80616691 0.42674619 0.40985682 -138.74654998 |
| 6596 | | -0.40861688 0.90251929 -0.13598227 138.25381467 |
| 6597 | | -0.42793360 -0.05785001 0.90195688 8.93206795 |
| 6598 | | Axis 0.06589677 0.70659271 -0.70454550 |
| 6599 | | Axis point 68.30381417 0.00000000 384.05194148 |
| 6600 | | Rotation angle (degrees) 36.35868068 |
| 6601 | | Shift along axis 82.25314023 |
| 6602 | | |
| 6603 | | Fit molecule combination Nu (#10.10) to map |
| 6604 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 6605 | | average map value = 0.4531, steps = 48 |
| 6606 | | shifted from previous position = 0.337 |
| 6607 | | rotated from previous position = 6.89 degrees |
| 6608 | | atoms outside contour = 15, contour level = 0.228 |
| 6609 | | |
| 6610 | | Position of combination Nu (#10.10) relative to |
| 6611 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6612 | | Matrix rotation and translation |
| 6613 | | 0.89660600 0.42771262 0.11471525 -92.03697372 |
| 6614 | | -0.43144064 0.90209981 0.00865446 114.22015120 |
| 6615 | | -0.09978298 -0.05725246 0.99336072 -48.61268252 |
| 6616 | | Axis -0.07422169 0.24155918 -0.96754344 |
| 6617 | | Axis point 164.49055982 240.81224848 0.00000000 |
| 6618 | | Rotation angle (degrees) 26.35854046 |
| 6619 | | Shift along axis 81.45694823 |
| 6620 | | |
| 6621 | | Fit molecule combination Nv (#10.11) to map |
| 6622 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 6623 | | average map value = 0.436, steps = 52 |
| 6624 | | shifted from previous position = 1.14 |
| 6625 | | rotated from previous position = 5.11 degrees |
| 6626 | | atoms outside contour = 13, contour level = 0.228 |
| 6627 | | |
| 6628 | | Position of combination Nv (#10.11) relative to |
| 6629 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6630 | | Matrix rotation and translation |
| 6631 | | 0.92261392 0.37979103 0.06739682 -82.26997792 |
| 6632 | | -0.37790961 0.92500986 -0.03925676 110.29876059 |
| 6633 | | -0.07725209 0.01074893 0.99695365 -56.42770740 |
| 6634 | | Axis 0.06469014 0.18712586 -0.98020360 |
| 6635 | | Axis point 203.30124948 270.07383924 0.00000000 |
| 6636 | | Rotation angle (degrees) 22.73699698 |
| 6637 | | Shift along axis 70.62833656 |
| 6638 | | |
| 6639 | | Fit molecule combination Nw (#10.12) to map |
| 6640 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 6641 | | average map value = 0.4695, steps = 48 |
| 6642 | | shifted from previous position = 0.111 |
| 6643 | | rotated from previous position = 3.82 degrees |
| 6644 | | atoms outside contour = 11, contour level = 0.228 |
| 6645 | | |
| 6646 | | Position of combination Nw (#10.12) relative to |
| 6647 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6648 | | Matrix rotation and translation |
| 6649 | | 0.90552068 0.42070578 0.05512666 -86.83096373 |
| 6650 | | -0.42256964 0.90590837 0.02765718 106.40887665 |
| 6651 | | -0.03830417 -0.04833900 0.99809625 -60.52961345 |
| 6652 | | Axis -0.08921496 0.10968220 -0.98995480 |
| 6653 | | Axis point 180.00879263 229.99402096 0.00000000 |
| 6654 | | Rotation angle (degrees) 25.20866476 |
| 6655 | | Shift along axis 79.33936171 |
| 6656 | | |
| 6657 | | Fit molecule combination Nx (#10.13) to map |
| 6658 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 6659 | | average map value = 0.448, steps = 52 |
| 6660 | | shifted from previous position = 0.365 |
| 6661 | | rotated from previous position = 24.6 degrees |
| 6662 | | atoms outside contour = 11, contour level = 0.228 |
| 6663 | | |
| 6664 | | Position of combination Nx (#10.13) relative to |
| 6665 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6666 | | Matrix rotation and translation |
| 6667 | | 0.80604779 0.44737797 0.38747892 -169.36782338 |
| 6668 | | -0.42770804 0.89283321 -0.14111939 154.45884113 |
| 6669 | | -0.40908776 -0.05197888 0.91101339 10.82197215 |
| 6670 | | Axis 0.07511675 0.67124922 -0.73741573 |
| 6671 | | Axis point 119.56929163 444.34813777 0.00000000 |
| 6672 | | Rotation angle (degrees) 36.39484390 |
| 6673 | | Shift along axis 82.97772220 |
| 6674 | | |
| 6675 | | Fit molecule combination Ny (#10.14) to map |
| 6676 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 6677 | | average map value = 0.4045, steps = 68 |
| 6678 | | shifted from previous position = 0.552 |
| 6679 | | rotated from previous position = 1.74 degrees |
| 6680 | | atoms outside contour = 16, contour level = 0.228 |
| 6681 | | |
| 6682 | | Position of combination Ny (#10.14) relative to |
| 6683 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6684 | | Matrix rotation and translation |
| 6685 | | 0.91967062 0.39269058 -0.00023709 -71.51290318 |
| 6686 | | -0.39262523 0.91950622 -0.01880779 110.97235066 |
| 6687 | | -0.00716763 0.01739006 0.99982309 -73.33260200 |
| 6688 | | Axis 0.04604269 0.00881547 -0.99890057 |
| 6689 | | Axis point 232.26798631 237.94052953 0.00000000 |
| 6690 | | Rotation angle (degrees) 23.14691008 |
| 6691 | | Shift along axis 70.93760504 |
| 6692 | | |
| 6693 | | Fit molecule combination O (#10.15) to map |
| 6694 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 6695 | | average map value = 1.017, steps = 60 |
| 6696 | | shifted from previous position = 3.99 |
| 6697 | | rotated from previous position = 0 degrees |
| 6698 | | atoms outside contour = 0, contour level = 0.228 |
| 6699 | | |
| 6700 | | Position of combination O (#10.15) relative to |
| 6701 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6702 | | Matrix rotation and translation |
| 6703 | | 0.90928978 0.41614780 -0.00361878 -73.20523421 |
| 6704 | | -0.41615838 0.90928743 -0.00292816 111.18782736 |
| 6705 | | 0.00207197 0.00416853 0.99998917 -71.00271048 |
| 6706 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 6707 | | Axis point 219.24772724 225.12860553 0.00000000 |
| 6708 | | Rotation angle (degrees) 24.59351935 |
| 6709 | | Shift along axis 69.61413799 |
| 6710 | | |
| 6711 | | Fit molecule combination P (#10.16) to map |
| 6712 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 6713 | | average map value = 1.02, steps = 56 |
| 6714 | | shifted from previous position = 3.08 |
| 6715 | | rotated from previous position = 0 degrees |
| 6716 | | atoms outside contour = 0, contour level = 0.228 |
| 6717 | | |
| 6718 | | Position of combination P (#10.16) relative to |
| 6719 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6720 | | Matrix rotation and translation |
| 6721 | | 0.90928978 0.41614780 -0.00361878 -73.16527361 |
| 6722 | | -0.41615838 0.90928743 -0.00292816 112.39091563 |
| 6723 | | 0.00207197 0.00416853 0.99998917 -71.57271029 |
| 6724 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 6725 | | Axis point 222.03393815 225.65142342 0.00000000 |
| 6726 | | Rotation angle (degrees) 24.59351935 |
| 6727 | | Shift along axis 70.17621904 |
| 6728 | | |
| 6729 | | Fit molecule combination Q (#10.17) to map |
| 6730 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 6731 | | average map value = 0.9125, steps = 52 |
| 6732 | | shifted from previous position = 2.84 |
| 6733 | | rotated from previous position = 0 degrees |
| 6734 | | atoms outside contour = 0, contour level = 0.228 |
| 6735 | | |
| 6736 | | Position of combination Q (#10.17) relative to |
| 6737 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6738 | | Matrix rotation and translation |
| 6739 | | 0.90928978 0.41614780 -0.00361878 -72.76481018 |
| 6740 | | -0.41615838 0.90928743 -0.00292816 113.62907102 |
| 6741 | | 0.00207197 0.00416853 0.99998917 -71.54917300 |
| 6742 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 6743 | | Axis point 225.07410986 225.35121152 0.00000000 |
| 6744 | | Rotation angle (degrees) 24.59351935 |
| 6745 | | Shift along axis 70.14763235 |
| 6746 | | |
| 6747 | | Fit molecule combination R (#10.18) to map |
| 6748 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 6749 | | average map value = 1.119, steps = 100 |
| 6750 | | shifted from previous position = 4.45 |
| 6751 | | rotated from previous position = 0 degrees |
| 6752 | | atoms outside contour = 0, contour level = 0.228 |
| 6753 | | |
| 6754 | | Position of combination R (#10.18) relative to |
| 6755 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6756 | | Matrix rotation and translation |
| 6757 | | 0.90928978 0.41614780 -0.00361878 -73.77314814 |
| 6758 | | -0.41615838 0.90928743 -0.00292816 112.32889120 |
| 6759 | | 0.00207197 0.00416853 0.99998917 -70.30660236 |
| 6760 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 6761 | | Axis point 221.57318595 226.98567245 0.00000000 |
| 6762 | | Rotation angle (degrees) 24.59351935 |
| 6763 | | Shift along axis 68.90542803 |
| 6764 | | |
| 6765 | | Fit molecule combination a (#10.19) to map |
| 6766 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 6767 | | average map value = 0.1785, steps = 48 |
| 6768 | | shifted from previous position = 0.0904 |
| 6769 | | rotated from previous position = 0.354 degrees |
| 6770 | | atoms outside contour = 4777, contour level = 0.228 |
| 6771 | | |
| 6772 | | Position of combination a (#10.19) relative to |
| 6773 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6774 | | Matrix rotation and translation |
| 6775 | | 0.90952886 0.41563963 -0.00097397 -72.10041078 |
| 6776 | | -0.41563608 0.90952723 0.00262122 111.65053740 |
| 6777 | | 0.00197533 -0.00197926 0.99999609 -73.05988315 |
| 6778 | | Axis -0.00553413 -0.00354784 -0.99997839 |
| 6779 | | Axis point 221.22019854 220.64817031 0.00000000 |
| 6780 | | Rotation angle (degrees) 24.56005735 |
| 6781 | | Shift along axis 73.06119923 |
| 6782 | | |
| 6783 | | Fit molecule combination b (#10.20) to map |
| 6784 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 6785 | | average map value = 0.2266, steps = 48 |
| 6786 | | shifted from previous position = 0.0353 |
| 6787 | | rotated from previous position = 0.262 degrees |
| 6788 | | atoms outside contour = 4310, contour level = 0.228 |
| 6789 | | |
| 6790 | | Position of combination b (#10.20) relative to |
| 6791 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6792 | | Matrix rotation and translation |
| 6793 | | 0.90973018 0.41514705 -0.00662710 -70.64433653 |
| 6794 | | -0.41515411 0.90975104 0.00033682 112.10146925 |
| 6795 | | 0.00616884 0.00244485 0.99997798 -74.45483545 |
| 6796 | | Axis 0.00253857 -0.01540932 -0.99987805 |
| 6797 | | Axis point 224.99261610 219.53311262 0.00000000 |
| 6798 | | Rotation angle (degrees) 24.53198871 |
| 6799 | | Shift along axis 72.53901263 |
| 6800 | | |
| 6801 | | Fit molecule combination c (#10.21) to map |
| 6802 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 6803 | | average map value = 0.2097, steps = 48 |
| 6804 | | shifted from previous position = 0.0862 |
| 6805 | | rotated from previous position = 0.505 degrees |
| 6806 | | atoms outside contour = 4429, contour level = 0.228 |
| 6807 | | |
| 6808 | | Position of combination c (#10.21) relative to |
| 6809 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6810 | | Matrix rotation and translation |
| 6811 | | 0.90936721 0.41581517 -0.01220724 -69.34182733 |
| 6812 | | -0.41585667 0.90942966 -0.00096416 112.58113962 |
| 6813 | | 0.01070071 0.00595324 0.99992502 -76.03681029 |
| 6814 | | Axis 0.00831403 -0.02753306 -0.99958632 |
| 6815 | | Axis point 228.04980749 217.91403935 0.00000000 |
| 6816 | | Rotation angle (degrees) 24.58281204 |
| 6817 | | Shift along axis 72.32914190 |
| 6818 | | |
| 6819 | | Fit molecule combination d (#10.22) to map |
| 6820 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 6821 | | average map value = 0.2324, steps = 40 |
| 6822 | | shifted from previous position = 0.0447 |
| 6823 | | rotated from previous position = 0.308 degrees |
| 6824 | | atoms outside contour = 4190, contour level = 0.228 |
| 6825 | | |
| 6826 | | Position of combination d (#10.22) relative to |
| 6827 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6828 | | Matrix rotation and translation |
| 6829 | | 0.91010358 0.41432092 -0.00704616 -70.20582340 |
| 6830 | | -0.41432671 0.91012796 0.00068572 111.54853368 |
| 6831 | | 0.00669702 0.00229533 0.99997494 -74.51276825 |
| 6832 | | Axis 0.00194218 -0.01658275 -0.99986061 |
| 6833 | | Axis point 224.72548010 218.54720469 0.00000000 |
| 6834 | | Rotation angle (degrees) 24.48037757 |
| 6835 | | Shift along axis 72.51624789 |
| 6836 | | |
| 6837 | | Fit molecule combination e (#10.23) to map |
| 6838 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 6839 | | average map value = 0.1755, steps = 44 |
| 6840 | | shifted from previous position = 0.126 |
| 6841 | | rotated from previous position = 0.352 degrees |
| 6842 | | atoms outside contour = 4846, contour level = 0.228 |
| 6843 | | |
| 6844 | | Position of combination e (#10.23) relative to |
| 6845 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6846 | | Matrix rotation and translation |
| 6847 | | 0.90959606 0.41549344 -0.00045561 -72.50176212 |
| 6848 | | -0.41549146 0.90959422 0.00228300 111.27544500 |
| 6849 | | 0.00136299 -0.00188731 0.99999729 -72.96282638 |
| 6850 | | Axis -0.00501844 -0.00218846 -0.99998501 |
| 6851 | | Axis point 220.00943368 221.48297554 0.00000000 |
| 6852 | | Rotation angle (degrees) 24.55072445 |
| 6853 | | Shift along axis 73.08205675 |
| 6854 | | |
| 6855 | | Fit molecule combination f (#10.24) to map |
| 6856 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 6857 | | average map value = 0.2043, steps = 48 |
| 6858 | | shifted from previous position = 0.0826 |
| 6859 | | rotated from previous position = 0.539 degrees |
| 6860 | | atoms outside contour = 4483, contour level = 0.228 |
| 6861 | | |
| 6862 | | Position of combination f (#10.24) relative to |
| 6863 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6864 | | Matrix rotation and translation |
| 6865 | | 0.90940990 0.41570493 -0.01276912 -68.47308569 |
| 6866 | | -0.41574825 0.90947937 -0.00082333 112.35465745 |
| 6867 | | 0.01127099 0.00605748 0.99991813 -76.14029759 |
| 6868 | | Axis 0.00827190 -0.02890030 -0.99954807 |
| 6869 | | Axis point 228.26496082 215.89743424 0.00000000 |
| 6870 | | Rotation angle (degrees) 24.57692330 |
| 6871 | | Shift along axis 72.29240204 |
| 6872 | | |
| 6873 | | Fit molecule combination nt (#10.25) to map |
| 6874 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 6875 | | average map value = 0.448, steps = 80 |
| 6876 | | shifted from previous position = 0.698 |
| 6877 | | rotated from previous position = 29.8 degrees |
| 6878 | | atoms outside contour = 15, contour level = 0.228 |
| 6879 | | |
| 6880 | | Position of combination nt (#10.25) relative to |
| 6881 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6882 | | Matrix rotation and translation |
| 6883 | | 0.85560450 0.26168898 0.44660925 -144.83446021 |
| 6884 | | -0.21815367 0.96472727 -0.14734409 112.69354848 |
| 6885 | | -0.46941444 0.02863882 0.88251340 9.48242345 |
| 6886 | | Axis 0.16776885 0.87326796 -0.45744582 |
| 6887 | | Axis point 0.43498194 0.00000000 350.64966867 |
| 6888 | | Rotation angle (degrees) 31.63326406 |
| 6889 | | Shift along axis 69.77525988 |
| 6890 | | |
| 6891 | | Fit molecule combination nu (#10.26) to map |
| 6892 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 6893 | | average map value = 0.5339, steps = 48 |
| 6894 | | shifted from previous position = 0.382 |
| 6895 | | rotated from previous position = 3.95 degrees |
| 6896 | | atoms outside contour = 15, contour level = 0.228 |
| 6897 | | |
| 6898 | | Position of combination nu (#10.26) relative to |
| 6899 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6900 | | Matrix rotation and translation |
| 6901 | | 0.92463087 0.37738666 0.05135237 -81.31758102 |
| 6902 | | -0.37784159 0.92586981 -0.00091358 104.41182953 |
| 6903 | | -0.04789038 -0.01855834 0.99868018 -62.83622997 |
| 6904 | | Axis -0.02315813 0.13025260 -0.99121035 |
| 6905 | | Axis point 200.34055852 250.71404816 0.00000000 |
| 6906 | | Rotation angle (degrees) 22.39332428 |
| 6907 | | Shift along axis 77.76699657 |
| 6908 | | |
| 6909 | | Fit molecule combination nv (#10.27) to map |
| 6910 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 6911 | | average map value = 0.4159, steps = 68 |
| 6912 | | shifted from previous position = 0.533 |
| 6913 | | rotated from previous position = 9.42 degrees |
| 6914 | | atoms outside contour = 17, contour level = 0.228 |
| 6915 | | |
| 6916 | | Position of combination nv (#10.27) relative to |
| 6917 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6918 | | Matrix rotation and translation |
| 6919 | | 0.83831842 0.53820258 -0.08694942 -50.32844541 |
| 6920 | | -0.54062255 0.84124926 -0.00519064 147.97494329 |
| 6921 | | 0.07035252 0.05135822 0.99619921 -92.69125234 |
| 6922 | | Axis 0.05179898 -0.14408919 -0.98820806 |
| 6923 | | Axis point 241.10704368 172.45594180 0.00000000 |
| 6924 | | Rotation angle (degrees) 33.08271327 |
| 6925 | | Shift along axis 67.66969117 |
| 6926 | | |
| 6927 | | Fit molecule combination nw (#10.28) to map |
| 6928 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 6929 | | average map value = 0.4921, steps = 60 |
| 6930 | | shifted from previous position = 0.337 |
| 6931 | | rotated from previous position = 1.79 degrees |
| 6932 | | atoms outside contour = 15, contour level = 0.228 |
| 6933 | | |
| 6934 | | Position of combination nw (#10.28) relative to |
| 6935 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6936 | | Matrix rotation and translation |
| 6937 | | 0.91644614 0.39971760 0.01876985 -77.13359508 |
| 6938 | | -0.39993344 0.91649496 0.00949912 105.71683789 |
| 6939 | | -0.01340551 -0.01621212 0.99977871 -69.03877846 |
| 6940 | | Axis -0.03211052 0.04018349 -0.99867622 |
| 6941 | | Axis point 208.60580025 230.49657860 0.00000000 |
| 6942 | | Rotation angle (degrees) 23.60040447 |
| 6943 | | Shift along axis 75.67225796 |
| 6944 | | |
| 6945 | | Fit molecule combination nx (#10.29) to map |
| 6946 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 6947 | | average map value = 0.4107, steps = 72 |
| 6948 | | shifted from previous position = 1.55 |
| 6949 | | rotated from previous position = 25.7 degrees |
| 6950 | | atoms outside contour = 17, contour level = 0.228 |
| 6951 | | |
| 6952 | | Position of combination nx (#10.29) relative to |
| 6953 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6954 | | Matrix rotation and translation |
| 6955 | | 0.88318469 0.26749340 0.38526885 -165.36860977 |
| 6956 | | -0.23788891 0.96340122 -0.12355951 119.91915233 |
| 6957 | | -0.40421984 0.01747468 0.91449492 2.24660493 |
| 6958 | | Axis 0.14877932 0.83284480 -0.53313624 |
| 6959 | | Axis point 6.02218437 0.00000000 459.65980041 |
| 6960 | | Rotation angle (degrees) 28.29237781 |
| 6961 | | Shift along axis 74.07286677 |
| 6962 | | |
| 6963 | | Fit molecule combination ny (#10.30) to map |
| 6964 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 6965 | | average map value = 0.3749, steps = 60 |
| 6966 | | shifted from previous position = 0.27 |
| 6967 | | rotated from previous position = 6.07 degrees |
| 6968 | | atoms outside contour = 17, contour level = 0.228 |
| 6969 | | |
| 6970 | | Position of combination ny (#10.30) relative to |
| 6971 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6972 | | Matrix rotation and translation |
| 6973 | | 0.88098155 0.46735459 -0.07383225 -49.62521202 |
| 6974 | | -0.47148310 0.88021208 -0.05413297 143.41431711 |
| 6975 | | 0.03968875 0.08250080 0.99580039 -89.03503240 |
| 6976 | | Axis 0.14299778 -0.11880848 -0.98256612 |
| 6977 | | Axis point 270.72174857 194.50899727 0.00000000 |
| 6978 | | Rotation angle (degrees) 28.53841323 |
| 6979 | | Shift along axis 63.34767344 |
| 6980 | | |
| 6981 | | |
| 6982 | | > fitmap #10 inMap #2 eachModel true |
| 6983 | | |
| 6984 | | Fit molecule combination B (#10.1) to map |
| 6985 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 6986 | | average map value = 0.1856, steps = 40 |
| 6987 | | shifted from previous position = 0.0202 |
| 6988 | | rotated from previous position = 0.0514 degrees |
| 6989 | | atoms outside contour = 4614, contour level = 0.228 |
| 6990 | | |
| 6991 | | Position of combination B (#10.1) relative to |
| 6992 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 6993 | | Matrix rotation and translation |
| 6994 | | 0.90849900 0.41788571 0.00104788 -72.41877733 |
| 6995 | | -0.41788162 0.90849714 -0.00280979 113.48845139 |
| 6996 | | -0.00212617 0.00211480 0.99999550 -73.18992727 |
| 6997 | | Axis 0.00589216 0.00379768 -0.99997543 |
| 6998 | | Axis point 222.09399755 222.96015086 0.00000000 |
| 6999 | | Rotation angle (degrees) 24.70169393 |
| 7000 | | Shift along axis 73.19241890 |
| 7001 | | |
| 7002 | | Fit molecule combination C (#10.2) to map |
| 7003 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 7004 | | average map value = 0.2259, steps = 44 |
| 7005 | | shifted from previous position = 0.00159 |
| 7006 | | rotated from previous position = 0.035 degrees |
| 7007 | | atoms outside contour = 4198, contour level = 0.228 |
| 7008 | | |
| 7009 | | Position of combination C (#10.2) relative to |
| 7010 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7011 | | Matrix rotation and translation |
| 7012 | | 0.90830133 0.41830372 -0.00326849 -71.58804993 |
| 7013 | | -0.41831258 0.90829891 -0.00276970 113.59482967 |
| 7014 | | 0.00181019 0.00388297 0.99999082 -73.92349900 |
| 7015 | | Axis 0.00795147 -0.00607019 -0.99994996 |
| 7016 | | Axis point 224.02436028 221.62974438 0.00000000 |
| 7017 | | Rotation angle (degrees) 24.72914038 |
| 7018 | | Shift along axis 72.66102751 |
| 7019 | | |
| 7020 | | Fit molecule combination D (#10.3) to map |
| 7021 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 7022 | | average map value = 0.2103, steps = 40 |
| 7023 | | shifted from previous position = 0.0143 |
| 7024 | | rotated from previous position = 0.0215 degrees |
| 7025 | | atoms outside contour = 4328, contour level = 0.228 |
| 7026 | | |
| 7027 | | Position of combination D (#10.3) relative to |
| 7028 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7029 | | Matrix rotation and translation |
| 7030 | | 0.90844255 0.41796985 -0.00577346 -71.09897180 |
| 7031 | | -0.41798256 0.90845433 -0.00114680 113.29558010 |
| 7032 | | 0.00476559 0.00345501 0.99998268 -74.53374721 |
| 7033 | | Axis 0.00550436 -0.01260605 -0.99990539 |
| 7034 | | Axis point 224.98624931 220.34686037 0.00000000 |
| 7035 | | Rotation angle (degrees) 24.70937699 |
| 7036 | | Shift along axis 72.70713190 |
| 7037 | | |
| 7038 | | Fit molecule combination E (#10.4) to map |
| 7039 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 7040 | | average map value = 0.2277, steps = 36 |
| 7041 | | shifted from previous position = 0.0217 |
| 7042 | | rotated from previous position = 0.0181 degrees |
| 7043 | | atoms outside contour = 4141, contour level = 0.228 |
| 7044 | | |
| 7045 | | Position of combination E (#10.4) relative to |
| 7046 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7047 | | Matrix rotation and translation |
| 7048 | | 0.90772138 0.41954389 -0.00498150 -71.21600829 |
| 7049 | | -0.41956304 0.90771854 -0.00372973 114.12370596 |
| 7050 | | 0.00295702 0.00547561 0.99998064 -74.33497807 |
| 7051 | | Axis 0.01096924 -0.00945968 -0.99989509 |
| 7052 | | Axis point 225.00309564 221.13034346 0.00000000 |
| 7053 | | Rotation angle (degrees) 24.80917775 |
| 7054 | | Shift along axis 72.46642020 |
| 7055 | | |
| 7056 | | Fit molecule combination F (#10.5) to map |
| 7057 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 7058 | | average map value = 0.1861, steps = 44 |
| 7059 | | shifted from previous position = 0.00333 |
| 7060 | | rotated from previous position = 0.00207 degrees |
| 7061 | | atoms outside contour = 4635, contour level = 0.228 |
| 7062 | | |
| 7063 | | Position of combination F (#10.5) relative to |
| 7064 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7065 | | Matrix rotation and translation |
| 7066 | | 0.90886195 0.41709295 0.00185249 -72.95458499 |
| 7067 | | -0.41708755 0.90886224 -0.00272002 113.27021525 |
| 7068 | | -0.00281816 0.00169947 0.99999458 -73.04439246 |
| 7069 | | Axis 0.00529785 0.00559893 -0.99997029 |
| 7070 | | Axis point 221.58701471 224.26145623 0.00000000 |
| 7071 | | Rotation angle (degrees) 24.65179987 |
| 7072 | | Shift along axis 73.28991165 |
| 7073 | | |
| 7074 | | Fit molecule combination G (#10.6) to map |
| 7075 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 7076 | | average map value = 0.2085, steps = 40 |
| 7077 | | shifted from previous position = 0.0189 |
| 7078 | | rotated from previous position = 0.014 degrees |
| 7079 | | atoms outside contour = 4320, contour level = 0.228 |
| 7080 | | |
| 7081 | | Position of combination G (#10.6) relative to |
| 7082 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7083 | | Matrix rotation and translation |
| 7084 | | 0.90830358 0.41827968 -0.00516843 -71.09467049 |
| 7085 | | -0.41829142 0.90831181 -0.00139736 113.29610625 |
| 7086 | | 0.00411006 0.00343114 0.99998567 -74.38696201 |
| 7087 | | Axis 0.00577132 -0.01109023 -0.99992185 |
| 7088 | | Axis point 224.51701561 220.19174882 0.00000000 |
| 7089 | | Rotation angle (degrees) 24.72845659 |
| 7090 | | Shift along axis 72.71435896 |
| 7091 | | |
| 7092 | | Fit molecule combination M (#10.7) to map |
| 7093 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 7094 | | average map value = 1.071, steps = 40 |
| 7095 | | shifted from previous position = 0.0116 |
| 7096 | | rotated from previous position = 0 degrees |
| 7097 | | atoms outside contour = 0, contour level = 0.228 |
| 7098 | | |
| 7099 | | Position of combination M (#10.7) relative to |
| 7100 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7101 | | Matrix rotation and translation |
| 7102 | | 0.90928978 0.41614780 -0.00361878 -74.21653397 |
| 7103 | | -0.41615838 0.90928743 -0.00292816 113.43786770 |
| 7104 | | 0.00207197 0.00416853 0.99998917 -71.54086290 |
| 7105 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 7106 | | Axis point 223.90936528 228.58540933 0.00000000 |
| 7107 | | Rotation angle (degrees) 24.59351935 |
| 7108 | | Shift along axis 70.12825255 |
| 7109 | | |
| 7110 | | Fit molecule combination N (#10.8) to map |
| 7111 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 7112 | | average map value = 1.122, steps = 40 |
| 7113 | | shifted from previous position = 0.0412 |
| 7114 | | rotated from previous position = 0 degrees |
| 7115 | | atoms outside contour = 0, contour level = 0.228 |
| 7116 | | |
| 7117 | | Position of combination N (#10.8) relative to |
| 7118 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7119 | | Matrix rotation and translation |
| 7120 | | 0.90928978 0.41614780 -0.00361878 -73.21073778 |
| 7121 | | -0.41615838 0.90928743 -0.00292816 113.09661235 |
| 7122 | | 0.00207197 0.00416853 0.99998917 -71.08767031 |
| 7123 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 7124 | | Axis point 223.62443063 226.09731890 0.00000000 |
| 7125 | | Rotation angle (degrees) 24.59351935 |
| 7126 | | Shift along axis 69.68599560 |
| 7127 | | |
| 7128 | | Fit molecule combination Nt (#10.9) to map |
| 7129 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 7130 | | average map value = 0.4218, steps = 44 |
| 7131 | | shifted from previous position = 0.00203 |
| 7132 | | rotated from previous position = 0.0825 degrees |
| 7133 | | atoms outside contour = 12, contour level = 0.228 |
| 7134 | | |
| 7135 | | Position of combination Nt (#10.9) relative to |
| 7136 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7137 | | Matrix rotation and translation |
| 7138 | | 0.80601658 0.42597690 0.41095129 -138.82006206 |
| 7139 | | -0.40776827 0.90288217 -0.13612065 138.11674463 |
| 7140 | | -0.42902484 -0.05785740 0.90143786 9.16923965 |
| 7141 | | Axis 0.06598409 0.70818755 -0.70293420 |
| 7142 | | Axis point 68.04779047 0.00000000 383.12223920 |
| 7143 | | Rotation angle (degrees) 36.37348804 |
| 7144 | | Shift along axis 82.20727101 |
| 7145 | | |
| 7146 | | Fit molecule combination Nu (#10.10) to map |
| 7147 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 7148 | | average map value = 0.4536, steps = 40 |
| 7149 | | shifted from previous position = 0.0138 |
| 7150 | | rotated from previous position = 0.124 degrees |
| 7151 | | atoms outside contour = 15, contour level = 0.228 |
| 7152 | | |
| 7153 | | Position of combination Nu (#10.10) relative to |
| 7154 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7155 | | Matrix rotation and translation |
| 7156 | | 0.89753205 0.42603282 0.11372009 -91.80967522 |
| 7157 | | -0.42973377 0.90291017 0.00906138 113.76639162 |
| 7158 | | -0.09881858 -0.05700224 0.99347151 -48.83670945 |
| 7159 | | Axis -0.07471265 0.24036415 -0.96780323 |
| 7160 | | Axis point 164.75593069 240.83851104 0.00000000 |
| 7161 | | Rotation angle (degrees) 26.23910061 |
| 7162 | | Shift along axis 81.46903169 |
| 7163 | | |
| 7164 | | Fit molecule combination Nv (#10.11) to map |
| 7165 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 7166 | | average map value = 0.4358, steps = 40 |
| 7167 | | shifted from previous position = 0.00719 |
| 7168 | | rotated from previous position = 0.146 degrees |
| 7169 | | atoms outside contour = 13, contour level = 0.228 |
| 7170 | | |
| 7171 | | Position of combination Nv (#10.11) relative to |
| 7172 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7173 | | Matrix rotation and translation |
| 7174 | | 0.92221720 0.38049467 0.06884221 -82.51012941 |
| 7175 | | -0.37844296 0.92470554 -0.04123812 110.79959952 |
| 7176 | | -0.07934966 0.01197766 0.99677488 -56.06405904 |
| 7177 | | Axis 0.06865672 0.19119080 -0.97914878 |
| 7178 | | Axis point 203.26490903 271.10771811 0.00000000 |
| 7179 | | Rotation angle (degrees) 22.80212008 |
| 7180 | | Shift along axis 70.41404502 |
| 7181 | | |
| 7182 | | Fit molecule combination Nw (#10.12) to map |
| 7183 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 7184 | | average map value = 0.4692, steps = 40 |
| 7185 | | shifted from previous position = 0.0166 |
| 7186 | | rotated from previous position = 0.397 degrees |
| 7187 | | atoms outside contour = 12, contour level = 0.228 |
| 7188 | | |
| 7189 | | Position of combination Nw (#10.12) relative to |
| 7190 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7191 | | Matrix rotation and translation |
| 7192 | | 0.90649657 0.41787460 0.06037199 -88.03580760 |
| 7193 | | -0.42014801 0.90691857 0.03121478 104.93358841 |
| 7194 | | -0.04170861 -0.05366126 0.99768776 -59.22215232 |
| 7195 | | Axis -0.10003387 0.12031097 -0.98768340 |
| 7196 | | Axis point 175.72122009 230.86169766 0.00000000 |
| 7197 | | Rotation angle (degrees) 25.10234330 |
| 7198 | | Shift along axis 79.92396148 |
| 7199 | | |
| 7200 | | Fit molecule combination Nx (#10.13) to map |
| 7201 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 7202 | | average map value = 0.4481, steps = 44 |
| 7203 | | shifted from previous position = 0.0163 |
| 7204 | | rotated from previous position = 0.531 degrees |
| 7205 | | atoms outside contour = 13, contour level = 0.228 |
| 7206 | | |
| 7207 | | Position of combination Nx (#10.13) relative to |
| 7208 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7209 | | Matrix rotation and translation |
| 7210 | | 0.80458788 0.44353568 0.39486003 -170.61117650 |
| 7211 | | -0.42302324 0.89475172 -0.14307589 154.09387888 |
| 7212 | | -0.41676095 -0.05191785 0.90753228 12.72570939 |
| 7213 | | Axis 0.07655306 0.68158630 -0.72772230 |
| 7214 | | Axis point 118.73781787 451.24990515 -0.00000000 |
| 7215 | | Rotation angle (degrees) 36.54052570 |
| 7216 | | Shift along axis 82.70668691 |
| 7217 | | |
| 7218 | | Fit molecule combination Ny (#10.14) to map |
| 7219 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 7220 | | average map value = 0.4048, steps = 28 |
| 7221 | | shifted from previous position = 0.0292 |
| 7222 | | rotated from previous position = 0.32 degrees |
| 7223 | | atoms outside contour = 16, contour level = 0.228 |
| 7224 | | |
| 7225 | | Position of combination Ny (#10.14) relative to |
| 7226 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7227 | | Matrix rotation and translation |
| 7228 | | 0.91900311 0.39424974 -0.00065066 -71.44430258 |
| 7229 | | -0.39414965 0.91873001 -0.02410858 112.76156093 |
| 7230 | | -0.00890702 0.02241231 0.99970913 -73.46264744 |
| 7231 | | Axis 0.05890108 0.01045355 -0.99820909 |
| 7232 | | Axis point 234.74881526 239.94707578 0.00000000 |
| 7233 | | Rotation angle (degrees) 23.26016996 |
| 7234 | | Shift along axis 70.30169420 |
| 7235 | | |
| 7236 | | Fit molecule combination O (#10.15) to map |
| 7237 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 7238 | | average map value = 1.011, steps = 28 |
| 7239 | | shifted from previous position = 0.0284 |
| 7240 | | rotated from previous position = 0 degrees |
| 7241 | | atoms outside contour = 0, contour level = 0.228 |
| 7242 | | |
| 7243 | | Position of combination O (#10.15) relative to |
| 7244 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7245 | | Matrix rotation and translation |
| 7246 | | 0.90928978 0.41614780 -0.00361878 -73.18171501 |
| 7247 | | -0.41615838 0.90928743 -0.00292816 111.17258748 |
| 7248 | | 0.00207197 0.00416853 0.99998917 -70.99835885 |
| 7249 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 7250 | | Axis point 219.22448213 225.06693929 0.00000000 |
| 7251 | | Rotation angle (degrees) 24.59351935 |
| 7252 | | Shift along axis 69.61009133 |
| 7253 | | |
| 7254 | | Fit molecule combination P (#10.16) to map |
| 7255 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 7256 | | average map value = 1.023, steps = 28 |
| 7257 | | shifted from previous position = 0.0196 |
| 7258 | | rotated from previous position = 0 degrees |
| 7259 | | atoms outside contour = 0, contour level = 0.228 |
| 7260 | | |
| 7261 | | Position of combination P (#10.16) relative to |
| 7262 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7263 | | Matrix rotation and translation |
| 7264 | | 0.90928978 0.41614780 -0.00361878 -73.17464654 |
| 7265 | | -0.41615838 0.90928743 -0.00292816 112.40577943 |
| 7266 | | 0.00207197 0.00416853 0.99998917 -71.58142004 |
| 7267 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 7268 | | Axis point 222.06344536 225.68055308 0.00000000 |
| 7269 | | Rotation angle (degrees) 24.59351935 |
| 7270 | | Shift along axis 70.18474673 |
| 7271 | | |
| 7272 | | Fit molecule combination Q (#10.17) to map |
| 7273 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 7274 | | average map value = 0.9099, steps = 28 |
| 7275 | | shifted from previous position = 0.0282 |
| 7276 | | rotated from previous position = 0 degrees |
| 7277 | | atoms outside contour = 0, contour level = 0.228 |
| 7278 | | |
| 7279 | | Position of combination Q (#10.17) relative to |
| 7280 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7281 | | Matrix rotation and translation |
| 7282 | | 0.90928978 0.41614780 -0.00361878 -72.76235516 |
| 7283 | | -0.41615838 0.90928743 -0.00292816 113.60740572 |
| 7284 | | 0.00207197 0.00416853 0.99998917 -71.53125873 |
| 7285 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 7286 | | Axis point 225.02543596 225.33433884 0.00000000 |
| 7287 | | Rotation angle (degrees) 24.59351935 |
| 7288 | | Shift along axis 70.12988820 |
| 7289 | | |
| 7290 | | Fit molecule combination R (#10.18) to map |
| 7291 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 7292 | | average map value = 1.116, steps = 44 |
| 7293 | | shifted from previous position = 0.00777 |
| 7294 | | rotated from previous position = 0 degrees |
| 7295 | | atoms outside contour = 0, contour level = 0.228 |
| 7296 | | |
| 7297 | | Position of combination R (#10.18) relative to |
| 7298 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7299 | | Matrix rotation and translation |
| 7300 | | 0.90928978 0.41614780 -0.00361878 -73.76908638 |
| 7301 | | -0.41615838 0.90928743 -0.00292816 112.32683857 |
| 7302 | | 0.00207197 0.00416853 0.99998917 -70.30030308 |
| 7303 | | Axis 0.00852602 -0.00683692 -0.99994028 |
| 7304 | | Axis point 221.57043698 226.97518480 0.00000000 |
| 7305 | | Rotation angle (degrees) 24.59351935 |
| 7306 | | Shift along axis 68.89917778 |
| 7307 | | |
| 7308 | | Fit molecule combination a (#10.19) to map |
| 7309 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 7310 | | average map value = 0.1785, steps = 44 |
| 7311 | | shifted from previous position = 0.00347 |
| 7312 | | rotated from previous position = 0.00879 degrees |
| 7313 | | atoms outside contour = 4774, contour level = 0.228 |
| 7314 | | |
| 7315 | | Position of combination a (#10.19) relative to |
| 7316 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7317 | | Matrix rotation and translation |
| 7318 | | 0.90955812 0.41557525 -0.00111010 -72.06084847 |
| 7319 | | -0.41557144 0.90955677 0.00261753 111.63600816 |
| 7320 | | 0.00209748 -0.00191947 0.99999596 -73.08229439 |
| 7321 | | Axis -0.00545861 -0.00385913 -0.99997766 |
| 7322 | | Axis point 221.29984642 220.60242361 0.00000000 |
| 7323 | | Rotation angle (degrees) 24.55601303 |
| 7324 | | Shift along axis 73.04319600 |
| 7325 | | |
| 7326 | | Fit molecule combination b (#10.20) to map |
| 7327 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 7328 | | average map value = 0.2266, steps = 28 |
| 7329 | | shifted from previous position = 0.0288 |
| 7330 | | rotated from previous position = 0.0327 degrees |
| 7331 | | atoms outside contour = 4308, contour level = 0.228 |
| 7332 | | |
| 7333 | | Position of combination b (#10.20) relative to |
| 7334 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7335 | | Matrix rotation and translation |
| 7336 | | 0.90982425 0.41493302 -0.00710039 -70.52139594 |
| 7337 | | -0.41494270 0.90984754 0.00012016 112.11414147 |
| 7338 | | 0.00651014 0.00283693 0.99997478 -74.52882994 |
| 7339 | | Axis 0.00327324 -0.01639839 -0.99986018 |
| 7340 | | Axis point 225.36377386 219.50744149 0.00000000 |
| 7341 | | Rotation angle (degrees) 24.51905747 |
| 7342 | | Shift along axis 72.44908389 |
| 7343 | | |
| 7344 | | Fit molecule combination c (#10.21) to map |
| 7345 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 7346 | | average map value = 0.2097, steps = 40 |
| 7347 | | shifted from previous position = 0.0169 |
| 7348 | | rotated from previous position = 0.0251 degrees |
| 7349 | | atoms outside contour = 4425, contour level = 0.228 |
| 7350 | | |
| 7351 | | Position of combination c (#10.21) relative to |
| 7352 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7353 | | Matrix rotation and translation |
| 7354 | | 0.90937758 0.41580330 -0.01183342 -69.43046023 |
| 7355 | | -0.41584023 0.90943739 -0.00073595 112.52807069 |
| 7356 | | 0.01045574 0.00559007 0.99992971 -75.96361649 |
| 7357 | | Axis 0.00760370 -0.02679095 -0.99961214 |
| 7358 | | Axis point 227.80207536 217.95131985 0.00000000 |
| 7359 | | Rotation angle (degrees) 24.58124279 |
| 7360 | | Shift along axis 72.39149106 |
| 7361 | | |
| 7362 | | Fit molecule combination d (#10.22) to map |
| 7363 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 7364 | | average map value = 0.2323, steps = 40 |
| 7365 | | shifted from previous position = 0.000463 |
| 7366 | | rotated from previous position = 0.0189 degrees |
| 7367 | | atoms outside contour = 4192, contour level = 0.228 |
| 7368 | | |
| 7369 | | Position of combination d (#10.22) relative to |
| 7370 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7371 | | Matrix rotation and translation |
| 7372 | | 0.91016900 0.41417258 -0.00731185 -70.11411517 |
| 7373 | | -0.41417824 0.91019545 0.00079435 111.48195459 |
| 7374 | | 0.00698421 0.00230542 0.99997295 -74.56038364 |
| 7375 | | Axis 0.00182392 -0.01725587 -0.99984944 |
| 7376 | | Axis point 224.83602085 218.37174438 0.00000000 |
| 7377 | | Rotation angle (degrees) 24.47132484 |
| 7378 | | Shift along axis 72.49755708 |
| 7379 | | |
| 7380 | | Fit molecule combination e (#10.23) to map |
| 7381 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 7382 | | average map value = 0.1755, steps = 40 |
| 7383 | | shifted from previous position = 0.0188 |
| 7384 | | rotated from previous position = 0.0257 degrees |
| 7385 | | atoms outside contour = 4846, contour level = 0.228 |
| 7386 | | |
| 7387 | | Position of combination e (#10.23) relative to |
| 7388 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7389 | | Matrix rotation and translation |
| 7390 | | 0.90958175 0.41552492 -0.00029825 -72.55646050 |
| 7391 | | -0.41552268 0.90957880 0.00270213 111.15604736 |
| 7392 | | 0.00139408 -0.00233388 0.99999630 -72.91285893 |
| 7393 | | Axis -0.00605971 -0.00203634 -0.99997957 |
| 7394 | | Axis point 219.69884413 221.35407099 0.00000000 |
| 7395 | | Rotation angle (degrees) 24.55284187 |
| 7396 | | Shift along axis 73.12468895 |
| 7397 | | |
| 7398 | | Fit molecule combination f (#10.24) to map |
| 7399 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 7400 | | average map value = 0.2043, steps = 40 |
| 7401 | | shifted from previous position = 0.0165 |
| 7402 | | rotated from previous position = 0.0132 degrees |
| 7403 | | atoms outside contour = 4487, contour level = 0.228 |
| 7404 | | |
| 7405 | | Position of combination f (#10.24) relative to |
| 7406 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7407 | | Matrix rotation and translation |
| 7408 | | 0.90940934 0.41570946 -0.01266095 -68.50828375 |
| 7409 | | -0.41575438 0.90947635 -0.00102636 112.41990622 |
| 7410 | | 0.01108817 0.00619723 0.99991932 -76.13234657 |
| 7411 | | Axis 0.00868394 -0.02855030 -0.99955464 |
| 7412 | | Axis point 228.32000124 216.06373624 0.00000000 |
| 7413 | | Rotation angle (degrees) 24.57708757 |
| 7414 | | Shift along axis 72.29389583 |
| 7415 | | |
| 7416 | | Fit molecule combination nt (#10.25) to map |
| 7417 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 7418 | | average map value = 0.4478, steps = 60 |
| 7419 | | shifted from previous position = 0.0122 |
| 7420 | | rotated from previous position = 0.117 degrees |
| 7421 | | atoms outside contour = 15, contour level = 0.228 |
| 7422 | | |
| 7423 | | Position of combination nt (#10.25) relative to |
| 7424 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7425 | | Matrix rotation and translation |
| 7426 | | 0.85495221 0.26090184 0.44831568 -145.02313292 |
| 7427 | | -0.21721172 0.96494221 -0.14732822 112.54802678 |
| 7428 | | -0.47103692 0.02857917 0.88165041 9.89140913 |
| 7429 | | Axis 0.16736052 0.87468373 -0.45488331 |
| 7430 | | Axis point 0.43619013 0.00000000 349.63526083 |
| 7431 | | Rotation angle (degrees) 31.70421873 |
| 7432 | | Shift along axis 69.67334420 |
| 7433 | | |
| 7434 | | Fit molecule combination nu (#10.26) to map |
| 7435 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 7436 | | average map value = 0.5341, steps = 40 |
| 7437 | | shifted from previous position = 0.0211 |
| 7438 | | rotated from previous position = 0.51 degrees |
| 7439 | | atoms outside contour = 13, contour level = 0.228 |
| 7440 | | |
| 7441 | | Position of combination nu (#10.26) relative to |
| 7442 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7443 | | Matrix rotation and translation |
| 7444 | | 0.92596880 0.37298157 0.05887723 -82.72016884 |
| 7445 | | -0.37352591 0.92761783 -0.00188565 103.70085792 |
| 7446 | | -0.05531888 -0.02024612 0.99826345 -61.32433482 |
| 7447 | | Axis -0.02430517 0.15117011 -0.98820891 |
| 7448 | | Axis point 196.40046559 255.66175075 0.00000000 |
| 7449 | | Rotation angle (degrees) 22.19174097 |
| 7450 | | Shift along axis 78.28825148 |
| 7451 | | |
| 7452 | | Fit molecule combination nv (#10.27) to map |
| 7453 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 7454 | | average map value = 0.416, steps = 44 |
| 7455 | | shifted from previous position = 0.00693 |
| 7456 | | rotated from previous position = 0.516 degrees |
| 7457 | | atoms outside contour = 17, contour level = 0.228 |
| 7458 | | |
| 7459 | | Position of combination nv (#10.27) relative to |
| 7460 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7461 | | Matrix rotation and translation |
| 7462 | | 0.83582480 0.54082604 -0.09436152 -48.46544471 |
| 7463 | | -0.54390244 0.83910597 -0.00844399 149.61353526 |
| 7464 | | 0.07461259 0.05838116 0.99550219 -94.19691743 |
| 7465 | | Axis 0.06075882 -0.15363481 -0.98625793 |
| 7466 | | Axis point 243.39997080 171.02508161 0.00000000 |
| 7467 | | Rotation angle (degrees) 33.36161362 |
| 7468 | | Shift along axis 66.97190589 |
| 7469 | | |
| 7470 | | Fit molecule combination nw (#10.28) to map |
| 7471 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 7472 | | average map value = 0.4926, steps = 44 |
| 7473 | | shifted from previous position = 0.0204 |
| 7474 | | rotated from previous position = 0.218 degrees |
| 7475 | | atoms outside contour = 15, contour level = 0.228 |
| 7476 | | |
| 7477 | | Position of combination nw (#10.28) relative to |
| 7478 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7479 | | Matrix rotation and translation |
| 7480 | | 0.91605241 0.40068524 0.01730078 -76.74108656 |
| 7481 | | -0.40083499 0.91612969 0.00613973 106.94576502 |
| 7482 | | -0.01338965 -0.01255907 0.99983148 -69.50949876 |
| 7483 | | Axis -0.02330575 0.03825184 -0.99899632 |
| 7484 | | Axis point 211.20330261 231.39291659 0.00000000 |
| 7485 | | Rotation angle (degrees) 23.65088814 |
| 7486 | | Shift along axis 75.31911448 |
| 7487 | | |
| 7488 | | Fit molecule combination nx (#10.29) to map |
| 7489 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 7490 | | average map value = 0.4119, steps = 40 |
| 7491 | | shifted from previous position = 0.0531 |
| 7492 | | rotated from previous position = 0.121 degrees |
| 7493 | | atoms outside contour = 16, contour level = 0.228 |
| 7494 | | |
| 7495 | | Position of combination nx (#10.29) relative to |
| 7496 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7497 | | Matrix rotation and translation |
| 7498 | | 0.88254549 0.26760375 0.38665449 -165.69732501 |
| 7499 | | -0.23738019 0.96335227 -0.12491221 120.30834321 |
| 7500 | | -0.40591145 0.01845659 0.91372602 2.57139747 |
| 7501 | | Axis 0.15081228 0.83371470 -0.53120190 |
| 7502 | | Axis point 5.53605084 0.00000000 459.06562261 |
| 7503 | | Rotation angle (degrees) 28.38031978 |
| 7504 | | Shift along axis 73.94771168 |
| 7505 | | |
| 7506 | | Fit molecule combination ny (#10.30) to map |
| 7507 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 7508 | | average map value = 0.3751, steps = 40 |
| 7509 | | shifted from previous position = 0.00543 |
| 7510 | | rotated from previous position = 0.254 degrees |
| 7511 | | atoms outside contour = 17, contour level = 0.228 |
| 7512 | | |
| 7513 | | Position of combination ny (#10.30) relative to |
| 7514 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7515 | | Matrix rotation and translation |
| 7516 | | 0.88229574 0.46538247 -0.07052226 -50.68493438 |
| 7517 | | -0.46918237 0.88153628 -0.05255184 142.30623372 |
| 7518 | | 0.03771122 0.07945406 0.99612495 -88.38389840 |
| 7519 | | Axis 0.13894961 -0.11392673 -0.98372441 |
| 7520 | | Axis point 269.27617630 196.03150341 0.00000000 |
| 7521 | | Rotation angle (degrees) 28.36023228 |
| 7522 | | Shift along axis 63.69026229 |
| 7523 | | |
| 7524 | | |
| 7525 | | > show #!4 models |
| 7526 | | |
| 7527 | | > select add #5 |
| 7528 | | |
| 7529 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 7530 | | |
| 7531 | | > select subtract #5 |
| 7532 | | |
| 7533 | | Nothing selected |
| 7534 | | |
| 7535 | | > show #!5 models |
| 7536 | | |
| 7537 | | > show #!6 models |
| 7538 | | |
| 7539 | | > show #!7 models |
| 7540 | | |
| 7541 | | > show #!8 models |
| 7542 | | |
| 7543 | | > show #!9 models |
| 7544 | | |
| 7545 | | > hide #!2 models |
| 7546 | | |
| 7547 | | > hide #!10 models |
| 7548 | | |
| 7549 | | > show #!10 models |
| 7550 | | |
| 7551 | | > hide #!10 models |
| 7552 | | |
| 7553 | | > show #!10 models |
| 7554 | | |
| 7555 | | > hide #!10 models |
| 7556 | | |
| 7557 | | > show #!10 models |
| 7558 | | |
| 7559 | | > hide #!10 models |
| 7560 | | |
| 7561 | | > show #!10 models |
| 7562 | | |
| 7563 | | > hide #!10 models |
| 7564 | | |
| 7565 | | > show #!10 models |
| 7566 | | |
| 7567 | | > hide #!10 models |
| 7568 | | |
| 7569 | | > show #!10 models |
| 7570 | | |
| 7571 | | > hide #!10 models |
| 7572 | | |
| 7573 | | > show #!10 models |
| 7574 | | |
| 7575 | | > hide #!10 models |
| 7576 | | |
| 7577 | | > show #!10 models |
| 7578 | | |
| 7579 | | > hide #!10 models |
| 7580 | | |
| 7581 | | > show #!10 models |
| 7582 | | |
| 7583 | | > hide #!10 models |
| 7584 | | |
| 7585 | | > show #!10 models |
| 7586 | | |
| 7587 | | > hide #!10 models |
| 7588 | | |
| 7589 | | > select clear |
| 7590 | | |
| 7591 | | > show #!10 models |
| 7592 | | |
| 7593 | | > hide #!10 models |
| 7594 | | |
| 7595 | | > show #!10 models |
| 7596 | | |
| 7597 | | > hide #!10 models |
| 7598 | | |
| 7599 | | > hide #!4 models |
| 7600 | | |
| 7601 | | > hide #!5 models |
| 7602 | | |
| 7603 | | > hide #!6 models |
| 7604 | | |
| 7605 | | > hide #!7 models |
| 7606 | | |
| 7607 | | > hide #!8 models |
| 7608 | | |
| 7609 | | > hide #!9 models |
| 7610 | | |
| 7611 | | > show #!10 models |
| 7612 | | |
| 7613 | | > hide #!10 models |
| 7614 | | |
| 7615 | | > show #!10 models |
| 7616 | | |
| 7617 | | > show #!9 models |
| 7618 | | |
| 7619 | | > show #!8 models |
| 7620 | | |
| 7621 | | > hide #!10 models |
| 7622 | | |
| 7623 | | > show #!7 models |
| 7624 | | |
| 7625 | | > show #!6 models |
| 7626 | | |
| 7627 | | > show #!5 models |
| 7628 | | |
| 7629 | | > show #!4 models |
| 7630 | | |
| 7631 | | > changechains #4/B A |
| 7632 | | |
| 7633 | | Chain IDs of 430 residues changed |
| 7634 | | |
| 7635 | | > changechains #4-9/B A |
| 7636 | | |
| 7637 | | Chain IDs of 2150 residues changed |
| 7638 | | |
| 7639 | | > close #10 |
| 7640 | | |
| 7641 | | > select add #4 |
| 7642 | | |
| 7643 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 7644 | | |
| 7645 | | > select add #5 |
| 7646 | | |
| 7647 | | 26966 atoms, 27276 bonds, 10 pseudobonds, 1742 residues, 4 models selected |
| 7648 | | |
| 7649 | | > select add #6 |
| 7650 | | |
| 7651 | | 40449 atoms, 40914 bonds, 15 pseudobonds, 2613 residues, 6 models selected |
| 7652 | | |
| 7653 | | > select add #7 |
| 7654 | | |
| 7655 | | 53932 atoms, 54552 bonds, 20 pseudobonds, 3484 residues, 8 models selected |
| 7656 | | |
| 7657 | | > select add #8 |
| 7658 | | |
| 7659 | | 67415 atoms, 68190 bonds, 25 pseudobonds, 4355 residues, 10 models selected |
| 7660 | | |
| 7661 | | > select add #9 |
| 7662 | | |
| 7663 | | 80898 atoms, 81828 bonds, 30 pseudobonds, 5226 residues, 12 models selected |
| 7664 | | |
| 7665 | | > select subtract #9 |
| 7666 | | |
| 7667 | | 67415 atoms, 68190 bonds, 25 pseudobonds, 4355 residues, 10 models selected |
| 7668 | | |
| 7669 | | > select subtract #8 |
| 7670 | | |
| 7671 | | 53932 atoms, 54552 bonds, 20 pseudobonds, 3484 residues, 8 models selected |
| 7672 | | |
| 7673 | | > select subtract #7 |
| 7674 | | |
| 7675 | | 40449 atoms, 40914 bonds, 15 pseudobonds, 2613 residues, 6 models selected |
| 7676 | | |
| 7677 | | > select subtract #6 |
| 7678 | | |
| 7679 | | 26966 atoms, 27276 bonds, 10 pseudobonds, 1742 residues, 4 models selected |
| 7680 | | |
| 7681 | | > select subtract #5 |
| 7682 | | |
| 7683 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 7684 | | |
| 7685 | | > select subtract #4 |
| 7686 | | |
| 7687 | | Nothing selected |
| 7688 | | |
| 7689 | | > combine #4-9 |
| 7690 | | |
| 7691 | | Remapping chain ID 'A' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'B' |
| 7692 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'N' |
| 7693 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'Nu' |
| 7694 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'b' |
| 7695 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'nu' |
| 7696 | | Remapping chain ID 'A' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'C' |
| 7697 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'O' |
| 7698 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'Nv' |
| 7699 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'c' |
| 7700 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'nv' |
| 7701 | | Remapping chain ID 'A' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'D' |
| 7702 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'P' |
| 7703 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'Nw' |
| 7704 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'd' |
| 7705 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'nw' |
| 7706 | | Remapping chain ID 'A' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'E' |
| 7707 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'Q' |
| 7708 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'Nx' |
| 7709 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'e' |
| 7710 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'nx' |
| 7711 | | Remapping chain ID 'A' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'F' |
| 7712 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'R' |
| 7713 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'Ny' |
| 7714 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'f' |
| 7715 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'ny' |
| 7716 | | |
| 7717 | | > fitmap #10 inMap #2 eachModel true |
| 7718 | | |
| 7719 | | Fit molecule combination (#10) to map |
| 7720 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 80898 atoms |
| 7721 | | average map value = 0.2068, steps = 40 |
| 7722 | | shifted from previous position = 0.0171 |
| 7723 | | rotated from previous position = 0.00713 degrees |
| 7724 | | atoms outside contour = 53538, contour level = 0.228 |
| 7725 | | |
| 7726 | | Position of combination (#10) relative to |
| 7727 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7728 | | Matrix rotation and translation |
| 7729 | | 0.90926574 0.41620027 -0.00362732 -71.41045964 |
| 7730 | | -0.41621065 0.90926385 -0.00281805 113.11383137 |
| 7731 | | 0.00212532 0.00407209 0.99998945 -74.01213011 |
| 7732 | | Axis 0.00827684 -0.00691042 -0.99994187 |
| 7733 | | Axis point 224.58330054 221.98219535 0.00000000 |
| 7734 | | Rotation angle (degrees) 24.59677765 |
| 7735 | | Shift along axis 72.63511037 |
| 7736 | | |
| 7737 | | |
| 7738 | | > hide #!9 models |
| 7739 | | |
| 7740 | | > hide #!8 models |
| 7741 | | |
| 7742 | | > hide #!7 models |
| 7743 | | |
| 7744 | | > hide #!6 models |
| 7745 | | |
| 7746 | | > hide #!5 models |
| 7747 | | |
| 7748 | | > hide #!4 models |
| 7749 | | |
| 7750 | | > show #!9 models |
| 7751 | | |
| 7752 | | > show #!8 models |
| 7753 | | |
| 7754 | | > show #!7 models |
| 7755 | | |
| 7756 | | > show #!6 models |
| 7757 | | |
| 7758 | | > show #!5 models |
| 7759 | | |
| 7760 | | > show #!4 models |
| 7761 | | |
| 7762 | | > hide #!10 models |
| 7763 | | |
| 7764 | | > show #!10 models |
| 7765 | | |
| 7766 | | > hide #!10 models |
| 7767 | | |
| 7768 | | > show #!10 models |
| 7769 | | |
| 7770 | | > split #10 |
| 7771 | | |
| 7772 | | Split combination (#10) into 30 models |
| 7773 | | Chain information for combination A #10.1 |
| 7774 | | --- |
| 7775 | | Chain | Description |
| 7776 | | A | No description available |
| 7777 | | |
| 7778 | | Chain information for combination B #10.2 |
| 7779 | | --- |
| 7780 | | Chain | Description |
| 7781 | | B | No description available |
| 7782 | | |
| 7783 | | Chain information for combination C #10.3 |
| 7784 | | --- |
| 7785 | | Chain | Description |
| 7786 | | C | No description available |
| 7787 | | |
| 7788 | | Chain information for combination D #10.4 |
| 7789 | | --- |
| 7790 | | Chain | Description |
| 7791 | | D | No description available |
| 7792 | | |
| 7793 | | Chain information for combination E #10.5 |
| 7794 | | --- |
| 7795 | | Chain | Description |
| 7796 | | E | No description available |
| 7797 | | |
| 7798 | | Chain information for combination F #10.6 |
| 7799 | | --- |
| 7800 | | Chain | Description |
| 7801 | | F | No description available |
| 7802 | | |
| 7803 | | Chain information for combination a #10.19 |
| 7804 | | --- |
| 7805 | | Chain | Description |
| 7806 | | a | No description available |
| 7807 | | |
| 7808 | | Chain information for combination b #10.20 |
| 7809 | | --- |
| 7810 | | Chain | Description |
| 7811 | | b | No description available |
| 7812 | | |
| 7813 | | Chain information for combination c #10.21 |
| 7814 | | --- |
| 7815 | | Chain | Description |
| 7816 | | c | No description available |
| 7817 | | |
| 7818 | | Chain information for combination d #10.22 |
| 7819 | | --- |
| 7820 | | Chain | Description |
| 7821 | | d | No description available |
| 7822 | | |
| 7823 | | Chain information for combination e #10.23 |
| 7824 | | --- |
| 7825 | | Chain | Description |
| 7826 | | e | No description available |
| 7827 | | |
| 7828 | | Chain information for combination f #10.24 |
| 7829 | | --- |
| 7830 | | Chain | Description |
| 7831 | | f | No description available |
| 7832 | | |
| 7833 | | |
| 7834 | | > hide #!10 models |
| 7835 | | |
| 7836 | | > show #!10 models |
| 7837 | | |
| 7838 | | > fitmap #10 inMap #2 eachModel true |
| 7839 | | |
| 7840 | | Fit molecule combination A (#10.1) to map |
| 7841 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 7842 | | average map value = 0.1856, steps = 48 |
| 7843 | | shifted from previous position = 0.119 |
| 7844 | | rotated from previous position = 0.288 degrees |
| 7845 | | atoms outside contour = 4615, contour level = 0.228 |
| 7846 | | |
| 7847 | | Position of combination A (#10.1) relative to |
| 7848 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7849 | | Matrix rotation and translation |
| 7850 | | 0.90841347 0.41807182 0.00095782 -72.41773225 |
| 7851 | | -0.41806730 0.90841075 -0.00310660 113.59053109 |
| 7852 | | -0.00216887 0.00242164 0.99999472 -73.22992330 |
| 7853 | | Axis 0.00661143 0.00373934 -0.99997115 |
| 7854 | | Axis point 222.18431480 223.04924769 0.00000000 |
| 7855 | | Rotation angle (degrees) 24.71353133 |
| 7856 | | Shift along axis 73.17377914 |
| 7857 | | |
| 7858 | | Fit molecule combination B (#10.2) to map |
| 7859 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 7860 | | average map value = 0.2259, steps = 44 |
| 7861 | | shifted from previous position = 0.0381 |
| 7862 | | rotated from previous position = 0.14 degrees |
| 7863 | | atoms outside contour = 4205, contour level = 0.228 |
| 7864 | | |
| 7865 | | Position of combination B (#10.2) relative to |
| 7866 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7867 | | Matrix rotation and translation |
| 7868 | | 0.90825798 0.41839674 -0.00340663 -71.56444011 |
| 7869 | | -0.41840578 0.90825651 -0.00259241 113.57975058 |
| 7870 | | 0.00200944 0.00377993 0.99999084 -73.96911493 |
| 7871 | | Axis 0.00761472 -0.00647202 -0.99995006 |
| 7872 | | Axis point 224.01726618 221.48766029 0.00000000 |
| 7873 | | Rotation angle (degrees) 24.73501163 |
| 7874 | | Shift along axis 72.68538790 |
| 7875 | | |
| 7876 | | Fit molecule combination C (#10.3) to map |
| 7877 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 7878 | | average map value = 0.2103, steps = 40 |
| 7879 | | shifted from previous position = 0.0979 |
| 7880 | | rotated from previous position = 0.19 degrees |
| 7881 | | atoms outside contour = 4329, contour level = 0.228 |
| 7882 | | |
| 7883 | | Position of combination C (#10.3) relative to |
| 7884 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7885 | | Matrix rotation and translation |
| 7886 | | 0.90837713 0.41811269 -0.00572345 -71.11014288 |
| 7887 | | -0.41812605 0.90838806 -0.00132168 113.36494734 |
| 7888 | | 0.00464650 0.00359371 0.99998275 -74.50915888 |
| 7889 | | Axis 0.00587742 -0.01239953 -0.99990585 |
| 7890 | | Axis point 224.99179342 220.39918887 0.00000000 |
| 7891 | | Rotation angle (degrees) 24.71839549 |
| 7892 | | Shift along axis 72.67852684 |
| 7893 | | |
| 7894 | | Fit molecule combination D (#10.4) to map |
| 7895 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 7896 | | average map value = 0.2277, steps = 48 |
| 7897 | | shifted from previous position = 0.0496 |
| 7898 | | rotated from previous position = 0.234 degrees |
| 7899 | | atoms outside contour = 4140, contour level = 0.228 |
| 7900 | | |
| 7901 | | Position of combination D (#10.4) relative to |
| 7902 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7903 | | Matrix rotation and translation |
| 7904 | | 0.90770277 0.41958459 -0.00494593 -71.22596174 |
| 7905 | | -0.41960372 0.90769948 -0.00379086 114.14765389 |
| 7906 | | 0.00289883 0.00551631 0.99998058 -74.32372691 |
| 7907 | | Axis 0.01108951 -0.00934705 -0.99989482 |
| 7908 | | Axis point 225.00155061 221.16283998 0.00000000 |
| 7909 | | Rotation angle (degrees) 24.81175334 |
| 7910 | | Shift along axis 72.45910402 |
| 7911 | | |
| 7912 | | Fit molecule combination E (#10.5) to map |
| 7913 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 7914 | | average map value = 0.1861, steps = 60 |
| 7915 | | shifted from previous position = 0.11 |
| 7916 | | rotated from previous position = 0.314 degrees |
| 7917 | | atoms outside contour = 4633, contour level = 0.228 |
| 7918 | | |
| 7919 | | Position of combination E (#10.5) relative to |
| 7920 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7921 | | Matrix rotation and translation |
| 7922 | | 0.90882687 0.41716985 0.00174537 -72.93199536 |
| 7923 | | -0.41716516 0.90882720 -0.00251899 113.23933354 |
| 7924 | | -0.00263709 0.00156122 0.99999530 -73.04711015 |
| 7925 | | Axis 0.00489025 0.00525250 -0.99997425 |
| 7926 | | Axis point 221.54818315 224.10443248 0.00000000 |
| 7927 | | Rotation angle (degrees) 24.65656626 |
| 7928 | | Shift along axis 73.28336304 |
| 7929 | | |
| 7930 | | Fit molecule combination F (#10.6) to map |
| 7931 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6631 atoms |
| 7932 | | average map value = 0.2085, steps = 36 |
| 7933 | | shifted from previous position = 0.0959 |
| 7934 | | rotated from previous position = 0.177 degrees |
| 7935 | | atoms outside contour = 4324, contour level = 0.228 |
| 7936 | | |
| 7937 | | Position of combination F (#10.6) relative to |
| 7938 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7939 | | Matrix rotation and translation |
| 7940 | | 0.90829132 0.41830757 -0.00506551 -71.12248198 |
| 7941 | | -0.41831880 0.90829925 -0.00135929 113.29285442 |
| 7942 | | 0.00403240 0.00335363 0.99998625 -74.36319296 |
| 7943 | | Axis 0.00563282 -0.01087370 -0.99992501 |
| 7944 | | Axis point 224.44641850 220.21072927 0.00000000 |
| 7945 | | Rotation angle (degrees) 24.73011624 |
| 7946 | | Shift along axis 72.72508468 |
| 7947 | | |
| 7948 | | Fit molecule combination M (#10.7) to map |
| 7949 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 7950 | | average map value = 1.07, steps = 64 |
| 7951 | | shifted from previous position = 3.76 |
| 7952 | | rotated from previous position = 0 degrees |
| 7953 | | atoms outside contour = 0, contour level = 0.228 |
| 7954 | | |
| 7955 | | Position of combination M (#10.7) relative to |
| 7956 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7957 | | Matrix rotation and translation |
| 7958 | | 0.90926574 0.41620027 -0.00362732 -74.21847588 |
| 7959 | | -0.41621065 0.90926385 -0.00281805 113.42512820 |
| 7960 | | 0.00212532 0.00407209 0.99998945 -71.53530874 |
| 7961 | | Axis 0.00827684 -0.00691042 -0.99994187 |
| 7962 | | Axis point 223.86389116 228.52239274 0.00000000 |
| 7963 | | Rotation angle (degrees) 24.59677765 |
| 7964 | | Shift along axis 70.13304029 |
| 7965 | | |
| 7966 | | Fit molecule combination N (#10.8) to map |
| 7967 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 7968 | | average map value = 1.12, steps = 60 |
| 7969 | | shifted from previous position = 3.4 |
| 7970 | | rotated from previous position = 0 degrees |
| 7971 | | atoms outside contour = 0, contour level = 0.228 |
| 7972 | | |
| 7973 | | Position of combination N (#10.8) relative to |
| 7974 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7975 | | Matrix rotation and translation |
| 7976 | | 0.90926574 0.41620027 -0.00362732 -73.18297287 |
| 7977 | | -0.41621065 0.90926385 -0.00281805 113.05807713 |
| 7978 | | 0.00212532 0.00407209 0.99998945 -71.11574533 |
| 7979 | | Axis 0.00827684 -0.00691042 -0.99994187 |
| 7980 | | Axis point 223.53501864 225.95458197 0.00000000 |
| 7981 | | Rotation angle (degrees) 24.59677765 |
| 7982 | | Shift along axis 69.72460844 |
| 7983 | | |
| 7984 | | Fit molecule combination Nt (#10.9) to map |
| 7985 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 7986 | | average map value = 0.4218, steps = 52 |
| 7987 | | shifted from previous position = 0.368 |
| 7988 | | rotated from previous position = 25.8 degrees |
| 7989 | | atoms outside contour = 12, contour level = 0.228 |
| 7990 | | |
| 7991 | | Position of combination Nt (#10.9) relative to |
| 7992 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 7993 | | Matrix rotation and translation |
| 7994 | | 0.80600240 0.42756479 0.40932688 -138.74623179 |
| 7995 | | -0.40868192 0.90222981 -0.13769701 138.64326572 |
| 7996 | | -0.42818130 -0.05630038 0.90193738 8.71302247 |
| 7997 | | Axis 0.06861274 0.70597186 -0.70490852 |
| 7998 | | Axis point 67.57983618 0.00000000 384.77235136 |
| 7999 | | Rotation angle (degrees) 36.38155497 |
| 8000 | | Shift along axis 82.21660191 |
| 8001 | | |
| 8002 | | Fit molecule combination Nu (#10.10) to map |
| 8003 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 8004 | | average map value = 0.4529, steps = 48 |
| 8005 | | shifted from previous position = 0.336 |
| 8006 | | rotated from previous position = 6.9 degrees |
| 8007 | | atoms outside contour = 15, contour level = 0.228 |
| 8008 | | |
| 8009 | | Position of combination Nu (#10.10) relative to |
| 8010 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8011 | | Matrix rotation and translation |
| 8012 | | 0.89722610 0.42631956 0.11505194 -92.03805400 |
| 8013 | | -0.43012736 0.90271992 0.00933777 113.80053392 |
| 8014 | | -0.09987880 -0.05786508 0.99331559 -48.51513188 |
| 8015 | | Axis -0.07588759 0.24270659 -0.96712697 |
| 8016 | | Axis point 164.08133370 240.93334357 0.00000000 |
| 8017 | | Rotation angle (degrees) 26.28132363 |
| 8018 | | Shift along axis 81.52497800 |
| 8019 | | |
| 8020 | | Fit molecule combination Nv (#10.11) to map |
| 8021 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 8022 | | average map value = 0.4354, steps = 60 |
| 8023 | | shifted from previous position = 1.16 |
| 8024 | | rotated from previous position = 5.06 degrees |
| 8025 | | atoms outside contour = 12, contour level = 0.228 |
| 8026 | | |
| 8027 | | Position of combination Nv (#10.11) relative to |
| 8028 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8029 | | Matrix rotation and translation |
| 8030 | | 0.92292073 0.37918780 0.06658784 -82.12258346 |
| 8031 | | -0.37742645 0.92526849 -0.03778221 109.90538753 |
| 8032 | | -0.07593818 0.00973797 0.99706497 -56.61115485 |
| 8033 | | Axis 0.06160360 0.18476606 -0.98084989 |
| 8034 | | Axis point 203.21142920 269.38090529 0.00000000 |
| 8035 | | Rotation angle (degrees) 22.68678135 |
| 8036 | | Shift along axis 70.77478425 |
| 8037 | | |
| 8038 | | Fit molecule combination Nw (#10.12) to map |
| 8039 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 8040 | | average map value = 0.4686, steps = 48 |
| 8041 | | shifted from previous position = 0.148 |
| 8042 | | rotated from previous position = 4.14 degrees |
| 8043 | | atoms outside contour = 13, contour level = 0.228 |
| 8044 | | |
| 8045 | | Position of combination Nw (#10.12) relative to |
| 8046 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8047 | | Matrix rotation and translation |
| 8048 | | 0.90613154 0.41861718 0.06070658 -88.15348033 |
| 8049 | | -0.42084668 0.90664399 0.02974481 105.46936694 |
| 8050 | | -0.04258757 -0.05250087 0.99771236 -59.20878221 |
| 8051 | | Axis -0.09678417 0.12155336 -0.98785505 |
| 8052 | | Axis point 176.17009667 231.62662080 0.00000000 |
| 8053 | | Rotation angle (degrees) 25.14384164 |
| 8054 | | Shift along axis 79.84171208 |
| 8055 | | |
| 8056 | | Fit molecule combination Nx (#10.13) to map |
| 8057 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 8058 | | average map value = 0.4482, steps = 56 |
| 8059 | | shifted from previous position = 0.38 |
| 8060 | | rotated from previous position = 25 degrees |
| 8061 | | atoms outside contour = 13, contour level = 0.228 |
| 8062 | | |
| 8063 | | Position of combination Nx (#10.13) relative to |
| 8064 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8065 | | Matrix rotation and translation |
| 8066 | | 0.80473021 0.44588684 0.39191097 -170.17878207 |
| 8067 | | -0.42469817 0.89369279 -0.14472268 154.92914476 |
| 8068 | | -0.41477795 -0.04998116 0.90854892 11.90605594 |
| 8069 | | Axis 0.07957144 0.67752126 -0.73118625 |
| 8070 | | Axis point 120.40449330 449.15512845 0.00000000 |
| 8071 | | Rotation angle (degrees) 36.53571131 |
| 8072 | | Shift along axis 82.72087386 |
| 8073 | | |
| 8074 | | Fit molecule combination Ny (#10.14) to map |
| 8075 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 40 atoms |
| 8076 | | average map value = 0.4047, steps = 80 |
| 8077 | | shifted from previous position = 0.549 |
| 8078 | | rotated from previous position = 1.74 degrees |
| 8079 | | atoms outside contour = 16, contour level = 0.228 |
| 8080 | | |
| 8081 | | Position of combination Ny (#10.14) relative to |
| 8082 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8083 | | Matrix rotation and translation |
| 8084 | | 0.91921546 0.39375493 -0.00001290 -71.58787000 |
| 8085 | | -0.39367268 0.91902278 -0.02046818 111.68276132 |
| 8086 | | -0.00804759 0.01881974 0.99979050 -73.28614380 |
| 8087 | | Axis 0.04982943 0.01019052 -0.99870575 |
| 8088 | | Axis point 232.79886039 238.52516716 0.00000000 |
| 8089 | | Rotation angle (degrees) 23.21758768 |
| 8090 | | Shift along axis 70.76221650 |
| 8091 | | |
| 8092 | | Fit molecule combination O (#10.15) to map |
| 8093 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 8094 | | average map value = 1.01, steps = 64 |
| 8095 | | shifted from previous position = 4 |
| 8096 | | rotated from previous position = 0 degrees |
| 8097 | | atoms outside contour = 0, contour level = 0.228 |
| 8098 | | |
| 8099 | | Position of combination O (#10.15) relative to |
| 8100 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8101 | | Matrix rotation and translation |
| 8102 | | 0.90926574 0.41620027 -0.00362732 -73.17717378 |
| 8103 | | -0.41621065 0.90926385 -0.00281805 111.16188668 |
| 8104 | | 0.00212532 0.00407209 0.99998945 -70.99808167 |
| 8105 | | Axis 0.00827684 -0.00691042 -0.99994187 |
| 8106 | | Axis point 219.18755103 224.99079513 0.00000000 |
| 8107 | | Rotation angle (degrees) 24.59677765 |
| 8108 | | Shift along axis 69.62010309 |
| 8109 | | |
| 8110 | | Fit molecule combination P (#10.16) to map |
| 8111 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 8112 | | average map value = 1.02, steps = 60 |
| 8113 | | shifted from previous position = 3.1 |
| 8114 | | rotated from previous position = 0 degrees |
| 8115 | | atoms outside contour = 0, contour level = 0.228 |
| 8116 | | |
| 8117 | | Position of combination P (#10.16) relative to |
| 8118 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8119 | | Matrix rotation and translation |
| 8120 | | 0.90926574 0.41620027 -0.00362732 -73.16713364 |
| 8121 | | -0.41621065 0.90926385 -0.00281805 112.37297695 |
| 8122 | | 0.00212532 0.00407209 0.99998945 -71.57278177 |
| 8123 | | Axis 0.00827684 -0.00691042 -0.99994187 |
| 8124 | | Axis point 221.97698731 225.58604979 0.00000000 |
| 8125 | | Rotation angle (degrees) 24.59677765 |
| 8126 | | Shift along axis 70.18648374 |
| 8127 | | |
| 8128 | | Fit molecule combination Q (#10.17) to map |
| 8129 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 8130 | | average map value = 0.912, steps = 52 |
| 8131 | | shifted from previous position = 2.86 |
| 8132 | | rotated from previous position = 0 degrees |
| 8133 | | atoms outside contour = 0, contour level = 0.228 |
| 8134 | | |
| 8135 | | Position of combination Q (#10.17) relative to |
| 8136 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8137 | | Matrix rotation and translation |
| 8138 | | 0.90926574 0.41620027 -0.00362732 -72.76782688 |
| 8139 | | -0.41621065 0.90926385 -0.00281805 113.60003733 |
| 8140 | | 0.00212532 0.00407209 0.99998945 -71.53799663 |
| 8141 | | Axis 0.00827684 -0.00691042 -0.99994187 |
| 8142 | | Axis point 224.99059867 225.28283117 0.00000000 |
| 8143 | | Rotation angle (degrees) 24.59677765 |
| 8144 | | Shift along axis 70.14652611 |
| 8145 | | |
| 8146 | | Fit molecule combination R (#10.18) to map |
| 8147 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 1 atoms |
| 8148 | | average map value = 1.118, steps = 92 |
| 8149 | | shifted from previous position = 4.47 |
| 8150 | | rotated from previous position = 0 degrees |
| 8151 | | atoms outside contour = 0, contour level = 0.228 |
| 8152 | | |
| 8153 | | Position of combination R (#10.18) relative to |
| 8154 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8155 | | Matrix rotation and translation |
| 8156 | | 0.90926574 0.41620027 -0.00362732 -73.76791172 |
| 8157 | | -0.41621065 0.90926385 -0.00281805 112.30902850 |
| 8158 | | 0.00212532 0.00407209 0.99998945 -70.30536870 |
| 8159 | | Axis 0.00827684 -0.00691042 -0.99994187 |
| 8160 | | Axis point 221.51500901 226.90352553 0.00000000 |
| 8161 | | Rotation angle (degrees) 24.59677765 |
| 8162 | | Shift along axis 68.91461371 |
| 8163 | | |
| 8164 | | Fit molecule combination a (#10.19) to map |
| 8165 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 8166 | | average map value = 0.1785, steps = 48 |
| 8167 | | shifted from previous position = 0.0944 |
| 8168 | | rotated from previous position = 0.356 degrees |
| 8169 | | atoms outside contour = 4778, contour level = 0.228 |
| 8170 | | |
| 8171 | | Position of combination a (#10.19) relative to |
| 8172 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8173 | | Matrix rotation and translation |
| 8174 | | 0.90956486 0.41556066 -0.00105117 -72.07318261 |
| 8175 | | -0.41555660 0.90956304 0.00278917 111.59248085 |
| 8176 | | 0.00211517 -0.00210011 0.99999556 -73.06139702 |
| 8177 | | Axis -0.00588264 -0.00380965 -0.99997544 |
| 8178 | | Axis point 221.21088971 220.54215648 0.00000000 |
| 8179 | | Rotation angle (degrees) 24.55514401 |
| 8180 | | Shift along axis 73.05845538 |
| 8181 | | |
| 8182 | | Fit molecule combination b (#10.20) to map |
| 8183 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 8184 | | average map value = 0.2266, steps = 48 |
| 8185 | | shifted from previous position = 0.063 |
| 8186 | | rotated from previous position = 0.264 degrees |
| 8187 | | atoms outside contour = 4310, contour level = 0.228 |
| 8188 | | |
| 8189 | | Position of combination b (#10.20) relative to |
| 8190 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8191 | | Matrix rotation and translation |
| 8192 | | 0.90979835 0.41498942 -0.00712316 -70.51995311 |
| 8193 | | -0.41500087 0.90982100 -0.00014235 112.18732376 |
| 8194 | | 0.00642172 0.00308563 0.99997462 -74.54803990 |
| 8195 | | Axis 0.00388863 -0.01631702 -0.99985931 |
| 8196 | | Axis point 225.45615445 219.61555934 0.00000000 |
| 8197 | | Rotation angle (degrees) 24.52268828 |
| 8198 | | Shift along axis 72.43276220 |
| 8199 | | |
| 8200 | | Fit molecule combination c (#10.21) to map |
| 8201 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 8202 | | average map value = 0.2097, steps = 48 |
| 8203 | | shifted from previous position = 0.0881 |
| 8204 | | rotated from previous position = 0.508 degrees |
| 8205 | | atoms outside contour = 4429, contour level = 0.228 |
| 8206 | | |
| 8207 | | Position of combination c (#10.21) relative to |
| 8208 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8209 | | Matrix rotation and translation |
| 8210 | | 0.90941117 0.41571602 -0.01230894 -69.31818401 |
| 8211 | | -0.41575914 0.90947414 -0.00105916 112.57822706 |
| 8212 | | 0.01075435 0.00608077 0.99992368 -76.06280313 |
| 8213 | | Axis 0.00858345 -0.02772612 -0.99957870 |
| 8214 | | Axis point 228.14392723 217.95210470 0.00000000 |
| 8215 | | Rotation angle (degrees) 24.57681328 |
| 8216 | | Shift along axis 72.31441208 |
| 8217 | | |
| 8218 | | Fit molecule combination d (#10.22) to map |
| 8219 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 8220 | | average map value = 0.2323, steps = 40 |
| 8221 | | shifted from previous position = 0.0579 |
| 8222 | | rotated from previous position = 0.308 degrees |
| 8223 | | atoms outside contour = 4194, contour level = 0.228 |
| 8224 | | |
| 8225 | | Position of combination d (#10.22) relative to |
| 8226 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8227 | | Matrix rotation and translation |
| 8228 | | 0.91011970 0.41428463 -0.00709806 -70.18893488 |
| 8229 | | -0.41429042 0.91014447 0.00070330 111.53281686 |
| 8230 | | 0.00675162 0.00230057 0.99997456 -74.52836348 |
| 8231 | | Axis 0.00192745 -0.01671269 -0.99985848 |
| 8232 | | Axis point 224.74499942 218.51850841 0.00000000 |
| 8233 | | Rotation angle (degrees) 24.47814805 |
| 8234 | | Shift along axis 72.51851656 |
| 8235 | | |
| 8236 | | Fit molecule combination e (#10.23) to map |
| 8237 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 8238 | | average map value = 0.1755, steps = 48 |
| 8239 | | shifted from previous position = 0.136 |
| 8240 | | rotated from previous position = 0.339 degrees |
| 8241 | | atoms outside contour = 4848, contour level = 0.228 |
| 8242 | | |
| 8243 | | Position of combination e (#10.23) relative to |
| 8244 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8245 | | Matrix rotation and translation |
| 8246 | | 0.90961517 0.41545146 -0.00056649 -72.46151392 |
| 8247 | | -0.41544943 0.90961368 0.00217546 111.30050932 |
| 8248 | | 0.00141909 -0.00174348 0.99999747 -72.99227955 |
| 8249 | | Axis -0.00471644 -0.00238964 -0.99998602 |
| 8250 | | Axis point 220.13841019 221.47971110 0.00000000 |
| 8251 | | Rotation angle (degrees) 24.54805214 |
| 8252 | | Shift along axis 73.06705184 |
| 8253 | | |
| 8254 | | Fit molecule combination f (#10.24) to map |
| 8255 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 8256 | | average map value = 0.2043, steps = 60 |
| 8257 | | shifted from previous position = 0.0879 |
| 8258 | | rotated from previous position = 0.546 degrees |
| 8259 | | atoms outside contour = 4481, contour level = 0.228 |
| 8260 | | |
| 8261 | | Position of combination f (#10.24) relative to |
| 8262 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8263 | | Matrix rotation and translation |
| 8264 | | 0.90944618 0.41562008 -0.01294595 -68.41782090 |
| 8265 | | -0.41566573 0.90951698 -0.00093359 112.36739479 |
| 8266 | | 0.01138654 0.00623024 0.99991576 -76.18317954 |
| 8267 | | Axis 0.00861376 -0.02925728 -0.99953480 |
| 8268 | | Axis point 228.42430861 215.88234744 0.00000000 |
| 8269 | | Rotation angle (degrees) 24.57199649 |
| 8270 | | Shift along axis 72.27083987 |
| 8271 | | |
| 8272 | | Fit molecule combination nt (#10.25) to map |
| 8273 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 8274 | | average map value = 0.4481, steps = 72 |
| 8275 | | shifted from previous position = 0.702 |
| 8276 | | rotated from previous position = 29.6 degrees |
| 8277 | | atoms outside contour = 16, contour level = 0.228 |
| 8278 | | |
| 8279 | | Position of combination nt (#10.25) relative to |
| 8280 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8281 | | Matrix rotation and translation |
| 8282 | | 0.85695171 0.26288182 0.44331357 -144.42953303 |
| 8283 | | -0.22013775 0.96442652 -0.14635866 112.75888101 |
| 8284 | | -0.46601839 0.02783225 0.88433717 8.74778797 |
| 8285 | | Axis 0.16680371 0.87076838 -0.46253534 |
| 8286 | | Axis point 0.82868470 0.00000000 352.41998725 |
| 8287 | | Rotation angle (degrees) 31.47613793 |
| 8288 | | Shift along axis 70.04932606 |
| 8289 | | |
| 8290 | | Fit molecule combination nu (#10.26) to map |
| 8291 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 8292 | | average map value = 0.5339, steps = 48 |
| 8293 | | shifted from previous position = 0.376 |
| 8294 | | rotated from previous position = 4.01 degrees |
| 8295 | | atoms outside contour = 15, contour level = 0.228 |
| 8296 | | |
| 8297 | | Position of combination nu (#10.26) relative to |
| 8298 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8299 | | Matrix rotation and translation |
| 8300 | | 0.92479905 0.37688146 0.05202958 -81.43836481 |
| 8301 | | -0.37737409 0.92606082 -0.00038347 104.18982569 |
| 8302 | | -0.04832708 -0.01927999 0.99864547 -62.67103901 |
| 8303 | | Axis -0.02482669 0.13185093 -0.99095861 |
| 8304 | | Axis point 199.74503907 250.81170412 0.00000000 |
| 8305 | | Rotation angle (degrees) 22.36891034 |
| 8306 | | Shift along axis 77.86377653 |
| 8307 | | |
| 8308 | | Fit molecule combination nv (#10.27) to map |
| 8309 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 8310 | | average map value = 0.4165, steps = 64 |
| 8311 | | shifted from previous position = 0.523 |
| 8312 | | rotated from previous position = 10.1 degrees |
| 8313 | | atoms outside contour = 17, contour level = 0.228 |
| 8314 | | |
| 8315 | | Position of combination nv (#10.27) relative to |
| 8316 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8317 | | Matrix rotation and translation |
| 8318 | | 0.83463365 0.54135967 -0.10156955 -46.71012017 |
| 8319 | | -0.54478767 0.83854192 -0.00733821 149.60602551 |
| 8320 | | 0.08119771 0.06145855 0.99480138 -95.78897215 |
| 8321 | | Axis 0.06234054 -0.16561550 -0.98421805 |
| 8322 | | Axis point 244.84616147 168.74286399 0.00000000 |
| 8323 | | Rotation angle (degrees) 33.48934247 |
| 8324 | | Shift along axis 66.58822384 |
| 8325 | | |
| 8326 | | Fit molecule combination nw (#10.28) to map |
| 8327 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 8328 | | average map value = 0.4926, steps = 76 |
| 8329 | | shifted from previous position = 0.336 |
| 8330 | | rotated from previous position = 1.83 degrees |
| 8331 | | atoms outside contour = 15, contour level = 0.228 |
| 8332 | | |
| 8333 | | Position of combination nw (#10.28) relative to |
| 8334 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8335 | | Matrix rotation and translation |
| 8336 | | 0.91658738 0.39931817 0.02031196 -77.58190372 |
| 8337 | | -0.39953403 0.91668500 0.00782156 106.14540731 |
| 8338 | | -0.01549637 -0.01528447 0.99976310 -68.81624893 |
| 8339 | | Axis -0.02888297 0.04476108 -0.99858010 |
| 8340 | | Axis point 208.72634107 232.41008643 0.00000000 |
| 8341 | | Rotation angle (degrees) 23.57780649 |
| 8342 | | Shift along axis 75.71051587 |
| 8343 | | |
| 8344 | | Fit molecule combination nx (#10.29) to map |
| 8345 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 8346 | | average map value = 0.4105, steps = 72 |
| 8347 | | shifted from previous position = 1.56 |
| 8348 | | rotated from previous position = 25.5 degrees |
| 8349 | | atoms outside contour = 17, contour level = 0.228 |
| 8350 | | |
| 8351 | | Position of combination nx (#10.29) relative to |
| 8352 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8353 | | Matrix rotation and translation |
| 8354 | | 0.88396190 0.26924159 0.38225689 -164.79323304 |
| 8355 | | -0.24003512 0.96292070 -0.12315383 120.13780112 |
| 8356 | | -0.40124120 0.01710821 0.91581265 1.51413395 |
| 8357 | | Axis 0.14843538 0.82915400 -0.53895323 |
| 8358 | | Axis point 6.68640158 0.00000000 462.00118414 |
| 8359 | | Rotation angle (degrees) 28.19464399 |
| 8360 | | Shift along axis 74.33554549 |
| 8361 | | |
| 8362 | | Fit molecule combination ny (#10.30) to map |
| 8363 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 8364 | | average map value = 0.3755, steps = 48 |
| 8365 | | shifted from previous position = 0.255 |
| 8366 | | rotated from previous position = 5.14 degrees |
| 8367 | | atoms outside contour = 17, contour level = 0.228 |
| 8368 | | |
| 8369 | | Position of combination ny (#10.30) relative to |
| 8370 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8371 | | Matrix rotation and translation |
| 8372 | | 0.88579225 0.46007526 -0.06085096 -53.75948109 |
| 8373 | | -0.46302480 0.88498961 -0.04900425 139.55622459 |
| 8374 | | 0.03130683 0.07158309 0.99694320 -86.41943645 |
| 8375 | | Axis 0.12890238 -0.09851249 -0.98675198 |
| 8376 | | Axis point 265.26879109 200.79739302 0.00000000 |
| 8377 | | Rotation angle (degrees) 27.88813237 |
| 8378 | | Shift along axis 64.59679407 |
| 8379 | | |
| 8380 | | |
| 8381 | | > hide #!10 models |
| 8382 | | |
| 8383 | | > show #!10 models |
| 8384 | | |
| 8385 | | > hide #!10 models |
| 8386 | | |
| 8387 | | > show #!10 models |
| 8388 | | |
| 8389 | | > hide #!10 models |
| 8390 | | |
| 8391 | | > show #!10 models |
| 8392 | | |
| 8393 | | > hide #!10 models |
| 8394 | | |
| 8395 | | > show #!10 models |
| 8396 | | |
| 8397 | | > hide #!10 models |
| 8398 | | |
| 8399 | | > show #!10 models |
| 8400 | | |
| 8401 | | > hide #!10 models |
| 8402 | | |
| 8403 | | > show #!10 models |
| 8404 | | |
| 8405 | | > hide #!10 models |
| 8406 | | |
| 8407 | | > show #!10 models |
| 8408 | | |
| 8409 | | > hide #!9 models |
| 8410 | | |
| 8411 | | > hide #!8 models |
| 8412 | | |
| 8413 | | > hide #!7 models |
| 8414 | | |
| 8415 | | > hide #!6 models |
| 8416 | | |
| 8417 | | > hide #!5 models |
| 8418 | | |
| 8419 | | > hide #!4 models |
| 8420 | | |
| 8421 | | > show #!4 models |
| 8422 | | |
| 8423 | | > show #!5 models |
| 8424 | | |
| 8425 | | > show #!6 models |
| 8426 | | |
| 8427 | | > show #!7 models |
| 8428 | | |
| 8429 | | > show #!8 models |
| 8430 | | |
| 8431 | | > show #!9 models |
| 8432 | | |
| 8433 | | > hide #!10 models |
| 8434 | | |
| 8435 | | > select ::name="MG" |
| 8436 | | |
| 8437 | | 14 atoms, 14 residues, 14 models selected |
| 8438 | | |
| 8439 | | > select add #10 |
| 8440 | | |
| 8441 | | 80906 atoms, 81828 bonds, 5234 residues, 39 models selected |
| 8442 | | |
| 8443 | | > select subtract #10 |
| 8444 | | |
| 8445 | | 8 atoms, 8 residues, 8 models selected |
| 8446 | | |
| 8447 | | > select add #3 |
| 8448 | | |
| 8449 | | 13490 atoms, 13638 bonds, 5 pseudobonds, 878 residues, 9 models selected |
| 8450 | | |
| 8451 | | > select subtract #3 |
| 8452 | | |
| 8453 | | 7 atoms, 7 residues, 7 models selected |
| 8454 | | |
| 8455 | | > select add #1 |
| 8456 | | |
| 8457 | | 13489 atoms, 13638 bonds, 5 pseudobonds, 877 residues, 8 models selected |
| 8458 | | |
| 8459 | | > select subtract #1 |
| 8460 | | |
| 8461 | | 6 atoms, 6 residues, 6 models selected |
| 8462 | | |
| 8463 | | > combine #4-9 |
| 8464 | | |
| 8465 | | Remapping chain ID 'A' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'B' |
| 8466 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'N' |
| 8467 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'Nu' |
| 8468 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'b' |
| 8469 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'nu' |
| 8470 | | Remapping chain ID 'A' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'C' |
| 8471 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'O' |
| 8472 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'Nv' |
| 8473 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'c' |
| 8474 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'nv' |
| 8475 | | Remapping chain ID 'A' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'D' |
| 8476 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'P' |
| 8477 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'Nw' |
| 8478 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'd' |
| 8479 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'nw' |
| 8480 | | Remapping chain ID 'A' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'E' |
| 8481 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'Q' |
| 8482 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'Nx' |
| 8483 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'e' |
| 8484 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'nx' |
| 8485 | | Remapping chain ID 'A' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'F' |
| 8486 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'R' |
| 8487 | | Remapping chain ID 'Nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'Ny' |
| 8488 | | Remapping chain ID 'a' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'f' |
| 8489 | | Remapping chain ID 'nt' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'ny' |
| 8490 | | |
| 8491 | | > hide #!11 models |
| 8492 | | |
| 8493 | | > show #!11 models |
| 8494 | | |
| 8495 | | > hide #!11 models |
| 8496 | | |
| 8497 | | > select ~sel |
| 8498 | | |
| 8499 | | 269654 atoms, 272760 bonds, 40 pseudobonds, 17414 residues, 45 models selected |
| 8500 | | |
| 8501 | | > select subtract #10 |
| 8502 | | |
| 8503 | | 188756 atoms, 190932 bonds, 40 pseudobonds, 12188 residues, 14 models selected |
| 8504 | | |
| 8505 | | > select subtract #11 |
| 8506 | | |
| 8507 | | 107858 atoms, 109104 bonds, 10 pseudobonds, 6962 residues, 12 models selected |
| 8508 | | |
| 8509 | | > select subtract #3 |
| 8510 | | |
| 8511 | | 94375 atoms, 95466 bonds, 5 pseudobonds, 6091 residues, 10 models selected |
| 8512 | | |
| 8513 | | > select subtract #2 |
| 8514 | | |
| 8515 | | 94375 atoms, 95466 bonds, 5 pseudobonds, 6091 residues, 8 models selected |
| 8516 | | |
| 8517 | | > select subtract #1 |
| 8518 | | |
| 8519 | | 80892 atoms, 81828 bonds, 5220 residues, 6 models selected |
| 8520 | | |
| 8521 | | > select add #11 |
| 8522 | | |
| 8523 | | 161790 atoms, 163656 bonds, 30 pseudobonds, 10446 residues, 8 models selected |
| 8524 | | |
| 8525 | | > select subtract #11 |
| 8526 | | |
| 8527 | | 80892 atoms, 81828 bonds, 5220 residues, 6 models selected |
| 8528 | | |
| 8529 | | > delete atoms sel |
| 8530 | | |
| 8531 | | > delete bonds sel |
| 8532 | | |
| 8533 | | > show #!10 models |
| 8534 | | |
| 8535 | | > select ::name="MG" |
| 8536 | | |
| 8537 | | 20 atoms, 20 residues, 15 models selected |
| 8538 | | |
| 8539 | | > select subtract #4 |
| 8540 | | |
| 8541 | | 19 atoms, 19 residues, 14 models selected |
| 8542 | | |
| 8543 | | > select subtract #5 |
| 8544 | | |
| 8545 | | 18 atoms, 18 residues, 13 models selected |
| 8546 | | |
| 8547 | | > select subtract #6 |
| 8548 | | |
| 8549 | | 17 atoms, 17 residues, 12 models selected |
| 8550 | | |
| 8551 | | > select subtract #7 |
| 8552 | | |
| 8553 | | 16 atoms, 16 residues, 11 models selected |
| 8554 | | |
| 8555 | | > select subtract #8 |
| 8556 | | |
| 8557 | | 15 atoms, 15 residues, 10 models selected |
| 8558 | | |
| 8559 | | > select subtract #9 |
| 8560 | | |
| 8561 | | 14 atoms, 14 residues, 9 models selected |
| 8562 | | |
| 8563 | | > select add #11 |
| 8564 | | |
| 8565 | | 80906 atoms, 81828 bonds, 30 pseudobonds, 5234 residues, 10 models selected |
| 8566 | | |
| 8567 | | > select subtract #11 |
| 8568 | | |
| 8569 | | 8 atoms, 8 residues, 8 models selected |
| 8570 | | |
| 8571 | | > select add #3 |
| 8572 | | |
| 8573 | | 13490 atoms, 13638 bonds, 5 pseudobonds, 878 residues, 9 models selected |
| 8574 | | |
| 8575 | | > select subtract #3 |
| 8576 | | |
| 8577 | | 7 atoms, 7 residues, 7 models selected |
| 8578 | | |
| 8579 | | > select add #1 |
| 8580 | | |
| 8581 | | 13489 atoms, 13638 bonds, 5 pseudobonds, 877 residues, 8 models selected |
| 8582 | | |
| 8583 | | > select subtract #1 |
| 8584 | | |
| 8585 | | 6 atoms, 6 residues, 6 models selected |
| 8586 | | |
| 8587 | | > delete atoms sel |
| 8588 | | |
| 8589 | | > delete bonds sel |
| 8590 | | |
| 8591 | | > show #!11 models |
| 8592 | | |
| 8593 | | > combine #4-10 |
| 8594 | | |
| 8595 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 to 'N' |
| 8596 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #6 to 'O' |
| 8597 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #7 to 'P' |
| 8598 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #8 to 'Q' |
| 8599 | | Remapping chain ID 'M' in 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #9 to 'R' |
| 8600 | | |
| 8601 | | > hide #!10 models |
| 8602 | | |
| 8603 | | > hide #!9 models |
| 8604 | | |
| 8605 | | > hide #!8 models |
| 8606 | | |
| 8607 | | > hide #!7 models |
| 8608 | | |
| 8609 | | > hide #!6 models |
| 8610 | | |
| 8611 | | > hide #!5 models |
| 8612 | | |
| 8613 | | > hide #!4 models |
| 8614 | | |
| 8615 | | > hide #!11 models |
| 8616 | | |
| 8617 | | > show #!11 models |
| 8618 | | |
| 8619 | | > hide #!11 models |
| 8620 | | |
| 8621 | | > show #!11 models |
| 8622 | | |
| 8623 | | > hide #!12 models |
| 8624 | | |
| 8625 | | > show #!12 models |
| 8626 | | |
| 8627 | | > hide #!12 models |
| 8628 | | |
| 8629 | | > show #!12 models |
| 8630 | | |
| 8631 | | > hide #!12 models |
| 8632 | | |
| 8633 | | > show #!12 models |
| 8634 | | |
| 8635 | | > hide #!12 models |
| 8636 | | |
| 8637 | | > show #!12 models |
| 8638 | | |
| 8639 | | > hide #!12 models |
| 8640 | | |
| 8641 | | > show #!12 models |
| 8642 | | |
| 8643 | | > hide #!12 models |
| 8644 | | |
| 8645 | | > hide #!11 models |
| 8646 | | |
| 8647 | | > show #!11 models |
| 8648 | | |
| 8649 | | > show #!12 models |
| 8650 | | |
| 8651 | | > hide #!11 models |
| 8652 | | |
| 8653 | | > show #!11 models |
| 8654 | | |
| 8655 | | > hide #!11 models |
| 8656 | | |
| 8657 | | > show #!11 models |
| 8658 | | |
| 8659 | | > hide #!11 models |
| 8660 | | |
| 8661 | | > show #!11 models |
| 8662 | | |
| 8663 | | > hide #!11 models |
| 8664 | | |
| 8665 | | > show #!11 models |
| 8666 | | |
| 8667 | | > hide #!11 models |
| 8668 | | |
| 8669 | | > hide #!12 models |
| 8670 | | |
| 8671 | | > show #!11 models |
| 8672 | | |
| 8673 | | > save |
| 8674 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_6dimers.pdb |
| 8675 | | > models #11 relModel #2 |
| 8676 | | |
| 8677 | | > hide #!11 models |
| 8678 | | |
| 8679 | | > show #!12 models |
| 8680 | | |
| 8681 | | > show #!11 models |
| 8682 | | |
| 8683 | | > hide #!11 models |
| 8684 | | |
| 8685 | | > show #!11 models |
| 8686 | | |
| 8687 | | > hide #!11 models |
| 8688 | | |
| 8689 | | > show #!11 models |
| 8690 | | |
| 8691 | | > hide #!12 models |
| 8692 | | |
| 8693 | | > show #!12 models |
| 8694 | | |
| 8695 | | > hide #!12 models |
| 8696 | | |
| 8697 | | > show #!12 models |
| 8698 | | |
| 8699 | | > hide #!11 models |
| 8700 | | |
| 8701 | | > show #!11 models |
| 8702 | | |
| 8703 | | > hide #!11 models |
| 8704 | | |
| 8705 | | > show #!11 models |
| 8706 | | |
| 8707 | | > hide #!11 models |
| 8708 | | |
| 8709 | | > show #!11 models |
| 8710 | | |
| 8711 | | > hide #!11 models |
| 8712 | | |
| 8713 | | > show #!11 models |
| 8714 | | |
| 8715 | | > hide #!11 models |
| 8716 | | |
| 8717 | | > show #!11 models |
| 8718 | | |
| 8719 | | > select add #12 |
| 8720 | | |
| 8721 | | 80898 atoms, 81828 bonds, 5226 residues, 1 model selected |
| 8722 | | |
| 8723 | | > hide #!11 models |
| 8724 | | |
| 8725 | | > select subtract #12 |
| 8726 | | |
| 8727 | | Nothing selected |
| 8728 | | |
| 8729 | | > show #!11 models |
| 8730 | | |
| 8731 | | > hide #!11 models |
| 8732 | | |
| 8733 | | > show #!11 models |
| 8734 | | |
| 8735 | | > hide #!11 models |
| 8736 | | |
| 8737 | | > save |
| 8738 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_6dimers_individualchaindock.pdb |
| 8739 | | > models #12 relModel #2 |
| 8740 | | |
| 8741 | | > open |
| 8742 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_6dimers_individualchaindock.pdb |
| 8743 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_6dimers.pdb |
| 8744 | | |
| 8745 | | Chain information for 231009_Xt_14-3_dEMhcr_6dimers_individualchaindock.pdb |
| 8746 | | #13 |
| 8747 | | --- |
| 8748 | | Chain | Description |
| 8749 | | A B C D E F | No description available |
| 8750 | | a b c d e f | No description available |
| 8751 | | |
| 8752 | | Chain information for 231009_Xt_14-3_dEMhcr_6dimers.pdb #14 |
| 8753 | | --- |
| 8754 | | Chain | Description |
| 8755 | | A B C D E F | No description available |
| 8756 | | a b c d e f | No description available |
| 8757 | | |
| 8758 | | |
| 8759 | | > hide #!12 models |
| 8760 | | |
| 8761 | | > hide #13 models |
| 8762 | | |
| 8763 | | > hide #!14 models |
| 8764 | | |
| 8765 | | > show #!14 models |
| 8766 | | |
| 8767 | | > show #13 models |
| 8768 | | |
| 8769 | | > hide #13 models |
| 8770 | | |
| 8771 | | > show #13 models |
| 8772 | | |
| 8773 | | > hide #13 models |
| 8774 | | |
| 8775 | | > show #!2 models |
| 8776 | | |
| 8777 | | > select add #13 |
| 8778 | | |
| 8779 | | 80898 atoms, 81828 bonds, 5226 residues, 1 model selected |
| 8780 | | |
| 8781 | | > select add #14 |
| 8782 | | |
| 8783 | | 161796 atoms, 163656 bonds, 30 pseudobonds, 10452 residues, 3 models selected |
| 8784 | | |
| 8785 | | > show sel & #!14 atoms |
| 8786 | | |
| 8787 | | > style sel & #!14 stick |
| 8788 | | |
| 8789 | | Changed 80898 atom styles |
| 8790 | | |
| 8791 | | > hide sel & #!14 atoms |
| 8792 | | |
| 8793 | | > show sel & #!14 cartoons |
| 8794 | | |
| 8795 | | > show sel & #!14 atoms |
| 8796 | | |
| 8797 | | > hide HC |
| 8798 | | |
| 8799 | | > show #13 models |
| 8800 | | |
| 8801 | | > style sel stick |
| 8802 | | |
| 8803 | | Changed 161796 atom styles |
| 8804 | | |
| 8805 | | > show sel atoms |
| 8806 | | |
| 8807 | | > hide sel cartoons |
| 8808 | | |
| 8809 | | > show sel cartoons |
| 8810 | | |
| 8811 | | > hide HC |
| 8812 | | |
| 8813 | | > color (#13#!14 & sel) byhetero |
| 8814 | | |
| 8815 | | > select clear |
| 8816 | | |
| 8817 | | > hide #13 models |
| 8818 | | |
| 8819 | | > show #13 models |
| 8820 | | |
| 8821 | | > hide #!14 models |
| 8822 | | |
| 8823 | | > show #!14 models |
| 8824 | | |
| 8825 | | > hide #13 models |
| 8826 | | |
| 8827 | | > show #13 models |
| 8828 | | |
| 8829 | | > hide #13 models |
| 8830 | | |
| 8831 | | > show #13 models |
| 8832 | | |
| 8833 | | > hide #13 models |
| 8834 | | |
| 8835 | | > show #13 models |
| 8836 | | |
| 8837 | | > hide #13 models |
| 8838 | | |
| 8839 | | > show #13 models |
| 8840 | | |
| 8841 | | > hide #!14 models |
| 8842 | | |
| 8843 | | > show #!14 models |
| 8844 | | |
| 8845 | | > hide #!14 models |
| 8846 | | |
| 8847 | | > show #!14 models |
| 8848 | | |
| 8849 | | > hide #!14 models |
| 8850 | | |
| 8851 | | > show #!14 models |
| 8852 | | |
| 8853 | | > hide #13 models |
| 8854 | | |
| 8855 | | > show #13 models |
| 8856 | | |
| 8857 | | > hide #13 models |
| 8858 | | |
| 8859 | | > show #13 models |
| 8860 | | |
| 8861 | | > hide #13 models |
| 8862 | | |
| 8863 | | > show #13 models |
| 8864 | | |
| 8865 | | > hide #13 models |
| 8866 | | |
| 8867 | | > show #13 models |
| 8868 | | |
| 8869 | | > hide #13 models |
| 8870 | | |
| 8871 | | > show #13 models |
| 8872 | | |
| 8873 | | > hide #13 models |
| 8874 | | |
| 8875 | | > show #13 models |
| 8876 | | |
| 8877 | | > hide #13 models |
| 8878 | | |
| 8879 | | > show #13 models |
| 8880 | | |
| 8881 | | > hide #13 models |
| 8882 | | |
| 8883 | | > show #13 models |
| 8884 | | |
| 8885 | | > hide #13 models |
| 8886 | | |
| 8887 | | > show #13 models |
| 8888 | | |
| 8889 | | > hide #13 models |
| 8890 | | |
| 8891 | | > show #13 models |
| 8892 | | |
| 8893 | | > hide #13 models |
| 8894 | | |
| 8895 | | > show #13 models |
| 8896 | | |
| 8897 | | > hide #13 models |
| 8898 | | |
| 8899 | | > show #13 models |
| 8900 | | |
| 8901 | | > hide #13 models |
| 8902 | | |
| 8903 | | > show #13 models |
| 8904 | | |
| 8905 | | > hide #13 models |
| 8906 | | |
| 8907 | | > show #13 models |
| 8908 | | |
| 8909 | | > hide #13 models |
| 8910 | | |
| 8911 | | > hide #!14 models |
| 8912 | | |
| 8913 | | > hide #14.1 models |
| 8914 | | |
| 8915 | | > show #13 models |
| 8916 | | |
| 8917 | | > hide #13 models |
| 8918 | | |
| 8919 | | > close #11,13-14#4-10,12 |
| 8920 | | |
| 8921 | | > open |
| 8922 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 8923 | | |
| 8924 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #4 |
| 8925 | | --- |
| 8926 | | Chain | Description |
| 8927 | | B | No description available |
| 8928 | | a | No description available |
| 8929 | | |
| 8930 | | |
| 8931 | | > split #4 |
| 8932 | | |
| 8933 | | Split 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#4) into 5 models |
| 8934 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb B #4.1 |
| 8935 | | --- |
| 8936 | | Chain | Description |
| 8937 | | B | No description available |
| 8938 | | |
| 8939 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb a #4.4 |
| 8940 | | --- |
| 8941 | | Chain | Description |
| 8942 | | a | No description available |
| 8943 | | |
| 8944 | | |
| 8945 | | > fitmap #4.4 inMap #2 |
| 8946 | | |
| 8947 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb a (#4.4) to map |
| 8948 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6767 atoms |
| 8949 | | average map value = 0.2323, steps = 64 |
| 8950 | | shifted from previous position = 0.263 |
| 8951 | | rotated from previous position = 0.421 degrees |
| 8952 | | atoms outside contour = 4189, contour level = 0.228 |
| 8953 | | |
| 8954 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb a (#4.4) relative to |
| 8955 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8956 | | Matrix rotation and translation |
| 8957 | | 0.99997376 -0.00322836 -0.00648587 1.99967891 |
| 8958 | | 0.00323636 0.99999401 0.00122409 -0.95465235 |
| 8959 | | 0.00648188 -0.00124505 0.99997822 -0.58958943 |
| 8960 | | Axis -0.16798414 -0.88223771 0.43981582 |
| 8961 | | Axis point 108.77586303 0.00000000 314.27047849 |
| 8962 | | Rotation angle (degrees) 0.42109051 |
| 8963 | | Shift along axis 0.24700520 |
| 8964 | | |
| 8965 | | |
| 8966 | | > fitmap #4.5 inMap #2 |
| 8967 | | |
| 8968 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb nt (#4.5) to map |
| 8969 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 44 atoms |
| 8970 | | average map value = 0.4923, steps = 48 |
| 8971 | | shifted from previous position = 0.376 |
| 8972 | | rotated from previous position = 1.82 degrees |
| 8973 | | atoms outside contour = 15, contour level = 0.228 |
| 8974 | | |
| 8975 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb nt (#4.5) relative to |
| 8976 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 8977 | | Matrix rotation and translation |
| 8978 | | 0.99953081 -0.02063670 0.02263365 -1.79098418 |
| 8979 | | 0.02043912 0.99975125 0.00892623 -4.90196754 |
| 8980 | | -0.02281223 -0.00845943 0.99970398 4.19361690 |
| 8981 | | Axis -0.27302719 0.71368923 0.64506111 |
| 8982 | | Axis point 191.31228682 0.00000000 86.76650600 |
| 8983 | | Rotation angle (degrees) 1.82453160 |
| 8984 | | Shift along axis -0.30435491 |
| 8985 | | |
| 8986 | | |
| 8987 | | > show #!1 models |
| 8988 | | |
| 8989 | | > hide #!1 models |
| 8990 | | |
| 8991 | | > show #!1 models |
| 8992 | | |
| 8993 | | > combine #4.4,4.5,4.2 |
| 8994 | | |
| 8995 | | No structures specified |
| 8996 | | |
| 8997 | | > combine #4.4-4.5 |
| 8998 | | |
| 8999 | | No structures specified |
| 9000 | | |
| 9001 | | > select add #4.3 |
| 9002 | | |
| 9003 | | 40 atoms, 42 bonds, 1 residue, 1 model selected |
| 9004 | | |
| 9005 | | > select add #4.4 |
| 9006 | | |
| 9007 | | 6807 atoms, 6886 bonds, 439 residues, 2 models selected |
| 9008 | | |
| 9009 | | > select add #4.5 |
| 9010 | | |
| 9011 | | 6851 atoms, 6932 bonds, 440 residues, 3 models selected |
| 9012 | | |
| 9013 | | > select subtract #4.4 |
| 9014 | | |
| 9015 | | 84 atoms, 88 bonds, 2 residues, 2 models selected |
| 9016 | | |
| 9017 | | > select add #4.4 |
| 9018 | | |
| 9019 | | 6851 atoms, 6932 bonds, 440 residues, 3 models selected |
| 9020 | | |
| 9021 | | > select subtract #4.5 |
| 9022 | | |
| 9023 | | 6807 atoms, 6886 bonds, 439 residues, 2 models selected |
| 9024 | | |
| 9025 | | > select add #4.2 |
| 9026 | | |
| 9027 | | 6808 atoms, 6886 bonds, 440 residues, 3 models selected |
| 9028 | | |
| 9029 | | > select subtract #4.3 |
| 9030 | | |
| 9031 | | 6768 atoms, 6844 bonds, 439 residues, 2 models selected |
| 9032 | | |
| 9033 | | > select add #4.5 |
| 9034 | | |
| 9035 | | 6812 atoms, 6890 bonds, 440 residues, 3 models selected |
| 9036 | | |
| 9037 | | > open |
| 9038 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 9039 | | |
| 9040 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 |
| 9041 | | --- |
| 9042 | | Chain | Description |
| 9043 | | B | No description available |
| 9044 | | a | No description available |
| 9045 | | |
| 9046 | | |
| 9047 | | > close #4#5 |
| 9048 | | |
| 9049 | | > open |
| 9050 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 9051 | | |
| 9052 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #4 |
| 9053 | | --- |
| 9054 | | Chain | Description |
| 9055 | | B | No description available |
| 9056 | | a | No description available |
| 9057 | | |
| 9058 | | |
| 9059 | | > open |
| 9060 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_6dimers_individualchaindock.pdb |
| 9061 | | |
| 9062 | | Chain information for 231009_Xt_14-3_dEMhcr_6dimers_individualchaindock.pdb #5 |
| 9063 | | --- |
| 9064 | | Chain | Description |
| 9065 | | A B C D E F | No description available |
| 9066 | | a b c d e f | No description available |
| 9067 | | |
| 9068 | | |
| 9069 | | > close #5 |
| 9070 | | |
| 9071 | | > open |
| 9072 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 9073 | | |
| 9074 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 |
| 9075 | | --- |
| 9076 | | Chain | Description |
| 9077 | | B | No description available |
| 9078 | | a | No description available |
| 9079 | | |
| 9080 | | |
| 9081 | | > hide #!5 models |
| 9082 | | |
| 9083 | | > show #!5 models |
| 9084 | | |
| 9085 | | > hide #!5 models |
| 9086 | | |
| 9087 | | > show #!5 models |
| 9088 | | |
| 9089 | | > hide #!2 models |
| 9090 | | |
| 9091 | | > hide #!1 models |
| 9092 | | |
| 9093 | | > hide #!5 models |
| 9094 | | |
| 9095 | | > select up |
| 9096 | | |
| 9097 | | 3726 atoms, 3760 bonds, 244 residues, 1 model selected |
| 9098 | | |
| 9099 | | > select up |
| 9100 | | |
| 9101 | | 4571 atoms, 4620 bonds, 299 residues, 1 model selected |
| 9102 | | |
| 9103 | | > select up |
| 9104 | | |
| 9105 | | 6671 atoms, 6748 bonds, 431 residues, 1 model selected |
| 9106 | | |
| 9107 | | > select up |
| 9108 | | |
| 9109 | | 13483 atoms, 13638 bonds, 871 residues, 1 model selected |
| 9110 | | |
| 9111 | | > select down |
| 9112 | | |
| 9113 | | 6671 atoms, 6748 bonds, 431 residues, 1 model selected |
| 9114 | | |
| 9115 | | > delete atoms sel |
| 9116 | | |
| 9117 | | > delete bonds sel |
| 9118 | | |
| 9119 | | > show #!5 models |
| 9120 | | |
| 9121 | | > hide #!4 models |
| 9122 | | |
| 9123 | | > show #!4 models |
| 9124 | | |
| 9125 | | > hide #!5 models |
| 9126 | | |
| 9127 | | > show #!5 models |
| 9128 | | |
| 9129 | | > hide #!4 models |
| 9130 | | |
| 9131 | | > show #!4 models |
| 9132 | | |
| 9133 | | > hide #!5 models |
| 9134 | | |
| 9135 | | > show #!5 models |
| 9136 | | |
| 9137 | | > hide #!5 models |
| 9138 | | |
| 9139 | | > show #!5 models |
| 9140 | | |
| 9141 | | > hide #!4 models |
| 9142 | | |
| 9143 | | > show #!4 models |
| 9144 | | |
| 9145 | | > hide #!5 models |
| 9146 | | |
| 9147 | | > show #!5 models |
| 9148 | | |
| 9149 | | > select up |
| 9150 | | |
| 9151 | | 7502 atoms, 7544 bonds, 490 residues, 2 models selected |
| 9152 | | |
| 9153 | | > select up |
| 9154 | | |
| 9155 | | 7580 atoms, 7630 bonds, 490 residues, 2 models selected |
| 9156 | | |
| 9157 | | > select up |
| 9158 | | |
| 9159 | | 9604 atoms, 9702 bonds, 622 residues, 2 models selected |
| 9160 | | |
| 9161 | | > select up |
| 9162 | | |
| 9163 | | 13622 atoms, 13780 bonds, 878 residues, 2 models selected |
| 9164 | | |
| 9165 | | > select up |
| 9166 | | |
| 9167 | | 20295 atoms, 20528 bonds, 4 pseudobonds, 1311 residues, 3 models selected |
| 9168 | | |
| 9169 | | > select down |
| 9170 | | |
| 9171 | | 13623 atoms, 13780 bonds, 1 pseudobond, 879 residues, 3 models selected |
| 9172 | | |
| 9173 | | > delete atoms (#!4-5 & sel) |
| 9174 | | |
| 9175 | | > delete bonds (#!4-5 & sel) |
| 9176 | | |
| 9177 | | > hide #!5 models |
| 9178 | | |
| 9179 | | > show #!5 models |
| 9180 | | |
| 9181 | | > hide #!5 models |
| 9182 | | |
| 9183 | | > show #!5 models |
| 9184 | | |
| 9185 | | > close #5 |
| 9186 | | |
| 9187 | | > open |
| 9188 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 9189 | | |
| 9190 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #4 |
| 9191 | | --- |
| 9192 | | Chain | Description |
| 9193 | | B | No description available |
| 9194 | | a | No description available |
| 9195 | | |
| 9196 | | |
| 9197 | | > open |
| 9198 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb |
| 9199 | | |
| 9200 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb #5 |
| 9201 | | --- |
| 9202 | | Chain | Description |
| 9203 | | B | No description available |
| 9204 | | a | No description available |
| 9205 | | |
| 9206 | | |
| 9207 | | > hide #!5 models |
| 9208 | | |
| 9209 | | > hide #!4 models |
| 9210 | | |
| 9211 | | > show #!5 models |
| 9212 | | |
| 9213 | | > select up |
| 9214 | | |
| 9215 | | 4515 atoms, 4564 bonds, 295 residues, 1 model selected |
| 9216 | | |
| 9217 | | > select up |
| 9218 | | |
| 9219 | | 4976 atoms, 5032 bonds, 324 residues, 1 model selected |
| 9220 | | |
| 9221 | | > select up |
| 9222 | | |
| 9223 | | 6671 atoms, 6748 bonds, 431 residues, 1 model selected |
| 9224 | | |
| 9225 | | > select up |
| 9226 | | |
| 9227 | | 13483 atoms, 13638 bonds, 871 residues, 1 model selected |
| 9228 | | |
| 9229 | | > select down |
| 9230 | | |
| 9231 | | 6671 atoms, 6748 bonds, 431 residues, 1 model selected |
| 9232 | | |
| 9233 | | > delete atoms sel |
| 9234 | | |
| 9235 | | > delete bonds sel |
| 9236 | | |
| 9237 | | > show #!4 models |
| 9238 | | |
| 9239 | | > hide #!5 models |
| 9240 | | |
| 9241 | | > select up |
| 9242 | | |
| 9243 | | 3716 atoms, 3751 bonds, 242 residues, 1 model selected |
| 9244 | | |
| 9245 | | > select up |
| 9246 | | |
| 9247 | | 4458 atoms, 4503 bonds, 292 residues, 1 model selected |
| 9248 | | |
| 9249 | | > select up |
| 9250 | | |
| 9251 | | 6671 atoms, 6748 bonds, 431 residues, 1 model selected |
| 9252 | | |
| 9253 | | > select ~sel |
| 9254 | | |
| 9255 | | 40590 atoms, 41056 bonds, 18 pseudobonds, 2622 residues, 10 models selected |
| 9256 | | |
| 9257 | | > delete atoms (#!4 & sel) |
| 9258 | | |
| 9259 | | > delete bonds (#!4 & sel) |
| 9260 | | |
| 9261 | | > show #!5 models |
| 9262 | | |
| 9263 | | > select clear |
| 9264 | | |
| 9265 | | > select add #1 |
| 9266 | | |
| 9267 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 9268 | | |
| 9269 | | > select add #2 |
| 9270 | | |
| 9271 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 4 models selected |
| 9272 | | |
| 9273 | | > select add #3 |
| 9274 | | |
| 9275 | | 26966 atoms, 27276 bonds, 10 pseudobonds, 1742 residues, 6 models selected |
| 9276 | | |
| 9277 | | > select subtract #2 |
| 9278 | | |
| 9279 | | 26966 atoms, 27276 bonds, 10 pseudobonds, 1742 residues, 4 models selected |
| 9280 | | |
| 9281 | | > select subtract #1 |
| 9282 | | |
| 9283 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 9284 | | |
| 9285 | | > select subtract #3 |
| 9286 | | |
| 9287 | | Nothing selected |
| 9288 | | |
| 9289 | | > show #!1 models |
| 9290 | | |
| 9291 | | > show #!2 models |
| 9292 | | |
| 9293 | | > show #!3 models |
| 9294 | | |
| 9295 | | > hide #!3 models |
| 9296 | | |
| 9297 | | > hide #!2 models |
| 9298 | | |
| 9299 | | > show #!2 models |
| 9300 | | |
| 9301 | | > hide #!2 models |
| 9302 | | |
| 9303 | | > hide #!1 models |
| 9304 | | |
| 9305 | | > show #!3 models |
| 9306 | | |
| 9307 | | > hide #!3 models |
| 9308 | | |
| 9309 | | > fitmap #4 inMap #2 |
| 9310 | | |
| 9311 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#4) to map |
| 9312 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6671 atoms |
| 9313 | | average map value = 0.2292, steps = 44 |
| 9314 | | shifted from previous position = 0.102 |
| 9315 | | rotated from previous position = 0.348 degrees |
| 9316 | | atoms outside contour = 4160, contour level = 0.228 |
| 9317 | | |
| 9318 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#4) relative to |
| 9319 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9320 | | Matrix rotation and translation |
| 9321 | | 0.99998612 0.00263436 -0.00456278 0.49266974 |
| 9322 | | -0.00264814 0.99999194 -0.00301861 0.87319663 |
| 9323 | | 0.00455479 0.00303065 0.99998503 -1.07160056 |
| 9324 | | Axis 0.49787195 -0.75040185 -0.43476498 |
| 9325 | | Axis point 230.26259946 0.00000000 101.17230727 |
| 9326 | | Rotation angle (degrees) 0.34808092 |
| 9327 | | Shift along axis 0.05593247 |
| 9328 | | |
| 9329 | | |
| 9330 | | > fitmap #5 inMap #2 |
| 9331 | | |
| 9332 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#5) to map |
| 9333 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6812 atoms |
| 9334 | | average map value = 0.234, steps = 64 |
| 9335 | | shifted from previous position = 0.263 |
| 9336 | | rotated from previous position = 0.434 degrees |
| 9337 | | atoms outside contour = 4198, contour level = 0.228 |
| 9338 | | |
| 9339 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#5) relative to |
| 9340 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9341 | | Matrix rotation and translation |
| 9342 | | 0.99997183 -0.00311749 -0.00682726 2.07298412 |
| 9343 | | 0.00312458 0.99999459 0.00102802 -0.89152478 |
| 9344 | | 0.00682401 -0.00104933 0.99997617 -0.64621433 |
| 9345 | | Axis -0.13708477 -0.90085122 0.41191606 |
| 9346 | | Axis point 111.03165532 0.00000000 308.25091629 |
| 9347 | | Rotation angle (degrees) 0.43412697 |
| 9348 | | Shift along axis 0.25277058 |
| 9349 | | |
| 9350 | | |
| 9351 | | > fitmap #5 inMap #2 |
| 9352 | | |
| 9353 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#5) to map |
| 9354 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6812 atoms |
| 9355 | | average map value = 0.234, steps = 44 |
| 9356 | | shifted from previous position = 0.017 |
| 9357 | | rotated from previous position = 0.0187 degrees |
| 9358 | | atoms outside contour = 4211, contour level = 0.228 |
| 9359 | | |
| 9360 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#5) relative to |
| 9361 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9362 | | Matrix rotation and translation |
| 9363 | | 0.99997304 -0.00328422 -0.00656684 2.03265762 |
| 9364 | | 0.00329173 0.99999394 0.00113349 -0.94082457 |
| 9365 | | 0.00656308 -0.00115507 0.99997780 -0.61428470 |
| 9366 | | Axis -0.15398842 -0.88346278 0.44247156 |
| 9367 | | Axis point 111.27243527 0.00000000 314.85426886 |
| 9368 | | Rotation angle (degrees) 0.42576529 |
| 9369 | | Shift along axis 0.24637424 |
| 9370 | | |
| 9371 | | |
| 9372 | | > fitmap #4 inMap #2 |
| 9373 | | |
| 9374 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#4) to map |
| 9375 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6671 atoms |
| 9376 | | average map value = 0.2292, steps = 44 |
| 9377 | | shifted from previous position = 0.00114 |
| 9378 | | rotated from previous position = 0.00759 degrees |
| 9379 | | atoms outside contour = 4161, contour level = 0.228 |
| 9380 | | |
| 9381 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#4) relative to |
| 9382 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9383 | | Matrix rotation and translation |
| 9384 | | 0.99998599 0.00263726 -0.00458994 0.49882226 |
| 9385 | | -0.00265172 0.99999153 -0.00314818 0.89984348 |
| 9386 | | 0.00458160 0.00316030 0.99998451 -1.09406683 |
| 9387 | | Axis 0.51187481 -0.74418624 -0.42915152 |
| 9388 | | Axis point 233.96902158 0.00000000 101.80660444 |
| 9389 | | Rotation angle (degrees) 0.35306631 |
| 9390 | | Shift along axis 0.05520386 |
| 9391 | | |
| 9392 | | |
| 9393 | | > fitmap #5 inMap #2 |
| 9394 | | |
| 9395 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#5) to map |
| 9396 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 6812 atoms |
| 9397 | | average map value = 0.234, steps = 40 |
| 9398 | | shifted from previous position = 0.00632 |
| 9399 | | rotated from previous position = 0.00576 degrees |
| 9400 | | atoms outside contour = 4206, contour level = 0.228 |
| 9401 | | |
| 9402 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed.pdb (#5) relative to |
| 9403 | | Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9404 | | Matrix rotation and translation |
| 9405 | | 0.99997240 -0.00328036 -0.00666654 2.05784322 |
| 9406 | | 0.00328807 0.99999394 0.00114610 -0.94314135 |
| 9407 | | 0.00666274 -0.00116799 0.99997712 -0.63091106 |
| 9408 | | Axis -0.15387304 -0.88631898 0.43676282 |
| 9409 | | Axis point 111.74669893 0.00000000 313.84524523 |
| 9410 | | Rotation angle (degrees) 0.43083710 |
| 9411 | | Shift along axis 0.24371899 |
| 9412 | | |
| 9413 | | |
| 9414 | | > select up |
| 9415 | | |
| 9416 | | 6321 atoms, 2823 bonds, 4 pseudobonds, 414 residues, 3 models selected |
| 9417 | | |
| 9418 | | > select up |
| 9419 | | |
| 9420 | | 6366 atoms, 6417 bonds, 4 pseudobonds, 414 residues, 3 models selected |
| 9421 | | |
| 9422 | | > select up |
| 9423 | | |
| 9424 | | 8672 atoms, 8759 bonds, 4 pseudobonds, 562 residues, 3 models selected |
| 9425 | | |
| 9426 | | > select up |
| 9427 | | |
| 9428 | | 13483 atoms, 13638 bonds, 4 pseudobonds, 871 residues, 3 models selected |
| 9429 | | |
| 9430 | | > select down |
| 9431 | | |
| 9432 | | 8672 atoms, 8759 bonds, 4 pseudobonds, 562 residues, 3 models selected |
| 9433 | | |
| 9434 | | > select clear |
| 9435 | | |
| 9436 | | > combine #4-5 |
| 9437 | | |
| 9438 | | > save |
| 9439 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9440 | | > models #6 relModel #2 |
| 9441 | | |
| 9442 | | > hide #!4 models |
| 9443 | | |
| 9444 | | > hide #!5 models |
| 9445 | | |
| 9446 | | > open |
| 9447 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9448 | | |
| 9449 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9450 | | #7 |
| 9451 | | --- |
| 9452 | | Chain | Description |
| 9453 | | B | No description available |
| 9454 | | a | No description available |
| 9455 | | |
| 9456 | | |
| 9457 | | > hide #!6 models |
| 9458 | | |
| 9459 | | > open |
| 9460 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9461 | | |
| 9462 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9463 | | #8 |
| 9464 | | --- |
| 9465 | | Chain | Description |
| 9466 | | B | No description available |
| 9467 | | a | No description available |
| 9468 | | |
| 9469 | | |
| 9470 | | > open |
| 9471 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9472 | | |
| 9473 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9474 | | #9 |
| 9475 | | --- |
| 9476 | | Chain | Description |
| 9477 | | B | No description available |
| 9478 | | a | No description available |
| 9479 | | |
| 9480 | | |
| 9481 | | > open |
| 9482 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9483 | | |
| 9484 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9485 | | #10 |
| 9486 | | --- |
| 9487 | | Chain | Description |
| 9488 | | B | No description available |
| 9489 | | a | No description available |
| 9490 | | |
| 9491 | | |
| 9492 | | > open |
| 9493 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9494 | | |
| 9495 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9496 | | #11 |
| 9497 | | --- |
| 9498 | | Chain | Description |
| 9499 | | B | No description available |
| 9500 | | a | No description available |
| 9501 | | |
| 9502 | | |
| 9503 | | > open |
| 9504 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9505 | | |
| 9506 | | Chain information for 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb |
| 9507 | | #12 |
| 9508 | | --- |
| 9509 | | Chain | Description |
| 9510 | | B | No description available |
| 9511 | | a | No description available |
| 9512 | | |
| 9513 | | |
| 9514 | | > ui tool show Matchmaker |
| 9515 | | |
| 9516 | | > select add #3 |
| 9517 | | |
| 9518 | | 13483 atoms, 13638 bonds, 5 pseudobonds, 871 residues, 2 models selected |
| 9519 | | |
| 9520 | | > select subtract #3 |
| 9521 | | |
| 9522 | | Nothing selected |
| 9523 | | |
| 9524 | | > select add #2 |
| 9525 | | |
| 9526 | | 2 models selected |
| 9527 | | |
| 9528 | | > select subtract #2 |
| 9529 | | |
| 9530 | | Nothing selected |
| 9531 | | |
| 9532 | | > select add #2 |
| 9533 | | |
| 9534 | | 2 models selected |
| 9535 | | |
| 9536 | | > show #!2 models |
| 9537 | | |
| 9538 | | > select add #7 |
| 9539 | | |
| 9540 | | 13483 atoms, 13638 bonds, 4 pseudobonds, 871 residues, 4 models selected |
| 9541 | | |
| 9542 | | > select add #10 |
| 9543 | | |
| 9544 | | 26966 atoms, 27276 bonds, 8 pseudobonds, 1742 residues, 6 models selected |
| 9545 | | |
| 9546 | | > ui mousemode right "translate selected models" |
| 9547 | | |
| 9548 | | > view matrix models |
| 9549 | | > #2,1,0,0,0.24818,0,1,0,-0.5083,0,0,1,-0.13664,#7,1,0,0,0.24818,0,1,0,-0.5083,0,0,1,-0.13664,#10,1,0,0,0.24818,0,1,0,-0.5083,0,0,1,-0.13664 |
| 9550 | | |
| 9551 | | > select subtract #10 |
| 9552 | | |
| 9553 | | 13483 atoms, 13638 bonds, 4 pseudobonds, 871 residues, 4 models selected |
| 9554 | | |
| 9555 | | > select add #10 |
| 9556 | | |
| 9557 | | 26966 atoms, 27276 bonds, 8 pseudobonds, 1742 residues, 6 models selected |
| 9558 | | |
| 9559 | | > select subtract #2 |
| 9560 | | |
| 9561 | | 26966 atoms, 27276 bonds, 8 pseudobonds, 1742 residues, 4 models selected |
| 9562 | | |
| 9563 | | > view matrix models |
| 9564 | | > #7,1,0,0,-22.483,0,1,0,46.277,0,0,1,9.4719,#10,1,0,0,-22.483,0,1,0,46.277,0,0,1,9.4719 |
| 9565 | | |
| 9566 | | > ui mousemode right "rotate selected models" |
| 9567 | | |
| 9568 | | > view matrix models |
| 9569 | | > #7,0.95114,0.30512,0.047191,-74.374,-0.30831,0.94679,0.092419,73.027,-0.016481,-0.10245,0.9946,28.733,#10,0.95114,0.30512,0.047191,-74.374,-0.30831,0.94679,0.092419,73.027,-0.016481,-0.10245,0.9946,28.733 |
| 9570 | | |
| 9571 | | > view matrix models |
| 9572 | | > #7,0.91052,0.4134,-0.0074958,-73.787,-0.41339,0.90988,-0.034907,120.73,-0.0076101,0.034882,0.99936,5.1517,#10,0.91052,0.4134,-0.0074958,-73.787,-0.41339,0.90988,-0.034907,120.73,-0.0076101,0.034882,0.99936,5.1517 |
| 9573 | | |
| 9574 | | > view matrix models |
| 9575 | | > #7,0.91547,0.40122,-0.030577,-67.338,-0.40236,0.91189,-0.080998,129.36,-0.0046154,0.086454,0.99625,-2.5593,#10,0.91547,0.40122,-0.030577,-67.338,-0.40236,0.91189,-0.080998,129.36,-0.0046154,0.086454,0.99625,-2.5593 |
| 9576 | | |
| 9577 | | > view matrix models |
| 9578 | | > #7,0.90867,0.39374,-0.1389,-40.985,-0.40077,0.91582,-0.025711,116.13,0.11708,0.079029,0.98997,-15.474,#10,0.90867,0.39374,-0.1389,-40.985,-0.40077,0.91582,-0.025711,116.13,0.11708,0.079029,0.98997,-15.474 |
| 9579 | | |
| 9580 | | > view matrix models |
| 9581 | | > #7,0.9128,0.40387,-0.060684,-60.651,-0.40597,0.91348,-0.027176,117.49,0.044458,0.049442,0.99779,-3.3846,#10,0.9128,0.40387,-0.060684,-60.651,-0.40597,0.91348,-0.027176,117.49,0.044458,0.049442,0.99779,-3.3846 |
| 9582 | | |
| 9583 | | > view matrix models |
| 9584 | | > #7,0.89078,0.44003,0.11353,-102.6,-0.43851,0.89786,-0.039346,126.79,-0.11924,-0.014733,0.99276,28.56,#10,0.89078,0.44003,0.11353,-102.6,-0.43851,0.89786,-0.039346,126.79,-0.11924,-0.014733,0.99276,28.56 |
| 9585 | | |
| 9586 | | > view matrix models |
| 9587 | | > #7,0.91332,0.40261,0.061224,-87.894,-0.40116,0.91534,-0.035047,118.35,-0.070151,0.0074492,0.99751,17.794,#10,0.91332,0.40261,0.061224,-87.894,-0.40116,0.91534,-0.035047,118.35,-0.070151,0.0074492,0.99751,17.794 |
| 9588 | | |
| 9589 | | > ui mousemode right "translate selected models" |
| 9590 | | |
| 9591 | | > view matrix models |
| 9592 | | > #7,0.91332,0.40261,0.061224,-85.143,-0.40116,0.91534,-0.035047,119.23,-0.070151,0.0074492,0.99751,17.623,#10,0.91332,0.40261,0.061224,-85.143,-0.40116,0.91534,-0.035047,119.23,-0.070151,0.0074492,0.99751,17.623 |
| 9593 | | |
| 9594 | | > select subtract #10 |
| 9595 | | |
| 9596 | | 13483 atoms, 13638 bonds, 4 pseudobonds, 871 residues, 2 models selected |
| 9597 | | |
| 9598 | | > view matrix models |
| 9599 | | > #7,0.91332,0.40261,0.061224,-90.176,-0.40116,0.91534,-0.035047,131.39,-0.070151,0.0074492,0.99751,-61.862 |
| 9600 | | |
| 9601 | | > view matrix models |
| 9602 | | > #7,0.91332,0.40261,0.061224,-97.127,-0.40116,0.91534,-0.035047,119.77,-0.070151,0.0074492,0.99751,-62.039 |
| 9603 | | |
| 9604 | | > view matrix models |
| 9605 | | > #7,0.91332,0.40261,0.061224,-89.905,-0.40116,0.91534,-0.035047,116.9,-0.070151,0.0074492,0.99751,-68.105 |
| 9606 | | |
| 9607 | | > select add #8 |
| 9608 | | |
| 9609 | | 26966 atoms, 27276 bonds, 8 pseudobonds, 1742 residues, 4 models selected |
| 9610 | | |
| 9611 | | > select subtract #7 |
| 9612 | | |
| 9613 | | 13483 atoms, 13638 bonds, 4 pseudobonds, 871 residues, 2 models selected |
| 9614 | | |
| 9615 | | > view matrix models #8,1,0,0,12.046,0,1,0,1.5826,0,0,1,-82.489 |
| 9616 | | |
| 9617 | | > view matrix models #8,1,0,0,4.9572,0,1,0,-7.3867,0,0,1,-82.426 |
| 9618 | | |
| 9619 | | > view matrix models #8,1,0,0,-1.8307,0,1,0,-5.2244,0,0,1,-82.633 |
| 9620 | | |
| 9621 | | > select subtract #8 |
| 9622 | | |
| 9623 | | Nothing selected |
| 9624 | | |
| 9625 | | > select add #9 |
| 9626 | | |
| 9627 | | 13483 atoms, 13638 bonds, 4 pseudobonds, 871 residues, 2 models selected |
| 9628 | | |
| 9629 | | > select add #12 |
| 9630 | | |
| 9631 | | 26966 atoms, 27276 bonds, 8 pseudobonds, 1742 residues, 4 models selected |
| 9632 | | |
| 9633 | | > view matrix models |
| 9634 | | > #9,1,0,0,43.979,0,1,0,-29.31,0,0,1,-9.3433,#12,1,0,0,43.979,0,1,0,-29.31,0,0,1,-9.3433 |
| 9635 | | |
| 9636 | | > view matrix models |
| 9637 | | > #9,1,0,0,42.682,0,1,0,-37.885,0,0,1,-9.098,#12,1,0,0,42.682,0,1,0,-37.885,0,0,1,-9.098 |
| 9638 | | |
| 9639 | | > ui mousemode right "rotate selected models" |
| 9640 | | |
| 9641 | | > view matrix models |
| 9642 | | > #9,0.71815,-0.69222,0.071349,170.29,0.69238,0.72105,0.026386,-88.445,-0.069711,0.030452,0.9971,-4.3218,#12,0.71815,-0.69222,0.071349,170.29,0.69238,0.72105,0.026386,-88.445,-0.069711,0.030452,0.9971,-4.3218 |
| 9643 | | |
| 9644 | | > ui mousemode right "translate selected models" |
| 9645 | | |
| 9646 | | > view matrix models |
| 9647 | | > #9,0.71815,-0.69222,0.071349,167.41,0.69238,0.72105,0.026386,-86.381,-0.069711,0.030452,0.9971,-1.4692,#12,0.71815,-0.69222,0.071349,167.41,0.69238,0.72105,0.026386,-86.381,-0.069711,0.030452,0.9971,-1.4692 |
| 9648 | | |
| 9649 | | > select subtract #9 |
| 9650 | | |
| 9651 | | 13483 atoms, 13638 bonds, 4 pseudobonds, 871 residues, 2 models selected |
| 9652 | | |
| 9653 | | > select add #9 |
| 9654 | | |
| 9655 | | 26966 atoms, 27276 bonds, 8 pseudobonds, 1742 residues, 4 models selected |
| 9656 | | |
| 9657 | | > select subtract #12 |
| 9658 | | |
| 9659 | | 13483 atoms, 13638 bonds, 4 pseudobonds, 871 residues, 2 models selected |
| 9660 | | |
| 9661 | | > view matrix models |
| 9662 | | > #9,0.71815,-0.69222,0.071349,170.2,0.69238,0.72105,0.026386,-82.458,-0.069711,0.030452,0.9971,-82.501 |
| 9663 | | |
| 9664 | | > view matrix models |
| 9665 | | > #9,0.71815,-0.69222,0.071349,169.51,0.69238,0.72105,0.026386,-87.115,-0.069711,0.030452,0.9971,-83.555 |
| 9666 | | |
| 9667 | | > fitmap #7 inMap #2 |
| 9668 | | |
| 9669 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#7) to |
| 9670 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9671 | | average map value = 0.1219, steps = 128 |
| 9672 | | shifted from previous position = 5.23 |
| 9673 | | rotated from previous position = 4.71 degrees |
| 9674 | | atoms outside contour = 10872, contour level = 0.228 |
| 9675 | | |
| 9676 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#7) |
| 9677 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9678 | | Matrix rotation and translation |
| 9679 | | 0.90075949 0.43427603 -0.00605621 -73.43295203 |
| 9680 | | -0.43429984 0.90076213 -0.00335180 117.60370511 |
| 9681 | | 0.00399960 0.00564937 0.99997604 -79.48437836 |
| 9682 | | Axis 0.01036189 -0.01157595 -0.99987931 |
| 9683 | | Axis point 222.18936358 221.71303518 0.00000000 |
| 9684 | | Rotation angle (degrees) 25.74332707 |
| 9685 | | Shift along axis 77.35250658 |
| 9686 | | |
| 9687 | | |
| 9688 | | > fitmap #8 inMap #2 |
| 9689 | | |
| 9690 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#8) to |
| 9691 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9692 | | average map value = 0.2277, steps = 76 |
| 9693 | | shifted from previous position = 4.49 |
| 9694 | | rotated from previous position = 0.393 degrees |
| 9695 | | atoms outside contour = 8545, contour level = 0.228 |
| 9696 | | |
| 9697 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#8) |
| 9698 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9699 | | Matrix rotation and translation |
| 9700 | | 0.99997680 -0.00680364 -0.00031929 2.18640833 |
| 9701 | | 0.00680391 0.99997650 0.00084292 -2.93211955 |
| 9702 | | 0.00031355 -0.00084507 0.99999959 -80.94671445 |
| 9703 | | Axis -0.12297410 -0.04610330 0.99133842 |
| 9704 | | Axis point 971.67675973 -1134.78946751 0.00000000 |
| 9705 | | Rotation angle (degrees) 0.39323669 |
| 9706 | | Shift along axis -80.37927895 |
| 9707 | | |
| 9708 | | |
| 9709 | | > fitmap #9 inMap #2 |
| 9710 | | |
| 9711 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#9) to |
| 9712 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9713 | | average map value = 0.2111, steps = 88 |
| 9714 | | shifted from previous position = 2.94 |
| 9715 | | rotated from previous position = 18.5 degrees |
| 9716 | | atoms outside contour = 8767, contour level = 0.228 |
| 9717 | | |
| 9718 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#9) |
| 9719 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9720 | | Matrix rotation and translation |
| 9721 | | 0.89973488 -0.43640947 0.00489001 119.79396393 |
| 9722 | | 0.43637917 0.89974165 0.00617912 -77.33185391 |
| 9723 | | -0.00709638 -0.00342567 0.99996895 -87.57958274 |
| 9724 | | Axis -0.01100302 0.01373131 0.99984518 |
| 9725 | | Axis point 225.04829139 220.52636381 0.00000000 |
| 9726 | | Rotation angle (degrees) 25.87835297 |
| 9727 | | Shift along axis -89.94598635 |
| 9728 | | |
| 9729 | | |
| 9730 | | > fitmap #10 inMap #2 |
| 9731 | | |
| 9732 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#10) to |
| 9733 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9734 | | average map value = 0.1816, steps = 80 |
| 9735 | | shifted from previous position = 1.65 |
| 9736 | | rotated from previous position = 4.25 degrees |
| 9737 | | atoms outside contour = 9529, contour level = 0.228 |
| 9738 | | |
| 9739 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#10) |
| 9740 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9741 | | Matrix rotation and translation |
| 9742 | | 0.90595451 0.42337398 -0.00095043 -73.22855240 |
| 9743 | | -0.42337502 0.90595286 -0.00173118 116.41030731 |
| 9744 | | 0.00012811 0.00197076 0.99999805 7.55607402 |
| 9745 | | Axis 0.00437189 -0.00127373 -0.99998963 |
| 9746 | | Axis point 225.40793631 222.95198991 0.00000000 |
| 9747 | | Rotation angle (degrees) 25.04809547 |
| 9748 | | Shift along axis -8.02441791 |
| 9749 | | |
| 9750 | | |
| 9751 | | > fitmap #11 inMap #2 |
| 9752 | | |
| 9753 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#11) to |
| 9754 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9755 | | average map value = 0.2316, steps = 68 |
| 9756 | | shifted from previous position = 0.581 |
| 9757 | | rotated from previous position = 0.0133 degrees |
| 9758 | | atoms outside contour = 8372, contour level = 0.228 |
| 9759 | | |
| 9760 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#11) |
| 9761 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9762 | | Matrix rotation and translation |
| 9763 | | 0.99999999 0.00014449 -0.00002166 -0.01781924 |
| 9764 | | -0.00014449 0.99999997 0.00018086 -0.02357251 |
| 9765 | | 0.00002169 -0.00018085 0.99999998 0.02924277 |
| 9766 | | Axis -0.77787743 -0.09321991 -0.62146340 |
| 9767 | | Axis point 0.00000000 154.41507641 131.45157093 |
| 9768 | | Rotation angle (degrees) 0.01332110 |
| 9769 | | Shift along axis -0.00211470 |
| 9770 | | |
| 9771 | | |
| 9772 | | > fitmap #12 inMap #2 |
| 9773 | | |
| 9774 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#12) to |
| 9775 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9776 | | average map value = 0.2073, steps = 92 |
| 9777 | | shifted from previous position = 2.7 |
| 9778 | | rotated from previous position = 18.8 degrees |
| 9779 | | atoms outside contour = 8874, contour level = 0.228 |
| 9780 | | |
| 9781 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#12) |
| 9782 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9783 | | Matrix rotation and translation |
| 9784 | | 0.90231729 -0.43104597 0.00478333 117.37109490 |
| 9785 | | 0.43101834 0.90232426 0.00584071 -75.38717878 |
| 9786 | | -0.00683372 -0.00320847 0.99997150 -6.62191933 |
| 9787 | | Axis -0.01049557 0.01347388 0.99985414 |
| 9788 | | Axis point 224.74304937 221.14695452 0.00000000 |
| 9789 | | Rotation angle (degrees) 25.53707397 |
| 9790 | | Shift along axis -8.86858759 |
| 9791 | | |
| 9792 | | |
| 9793 | | > select clear |
| 9794 | | |
| 9795 | | > select add #7 |
| 9796 | | |
| 9797 | | 13483 atoms, 13638 bonds, 4 pseudobonds, 871 residues, 2 models selected |
| 9798 | | |
| 9799 | | > ui mousemode right "rotate selected models" |
| 9800 | | |
| 9801 | | > view matrix models |
| 9802 | | > #7,0.95917,0.25606,0.12012,-81.196,-0.26336,0.96344,0.049209,73.791,-0.10313,-0.078835,0.99154,-50.946 |
| 9803 | | |
| 9804 | | > fitmap #7 inMap #2 |
| 9805 | | |
| 9806 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#7) to |
| 9807 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9808 | | average map value = 0.1828, steps = 104 |
| 9809 | | shifted from previous position = 4.56 |
| 9810 | | rotated from previous position = 12.1 degrees |
| 9811 | | atoms outside contour = 9452, contour level = 0.228 |
| 9812 | | |
| 9813 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#7) |
| 9814 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9815 | | Matrix rotation and translation |
| 9816 | | 0.90885158 0.41711921 0.00061083 -72.32333142 |
| 9817 | | -0.41711821 0.90885131 -0.00129839 113.09421604 |
| 9818 | | -0.00109673 0.00092525 0.99999897 -73.11764911 |
| 9819 | | Axis 0.00266546 0.00204684 -0.99999435 |
| 9820 | | Axis point 222.17351896 222.40426650 0.00000000 |
| 9821 | | Rotation angle (degrees) 24.65296119 |
| 9822 | | Shift along axis 73.15594708 |
| 9823 | | |
| 9824 | | |
| 9825 | | > fitmap #7 inMap #2 |
| 9826 | | |
| 9827 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#7) to |
| 9828 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9829 | | average map value = 0.1828, steps = 40 |
| 9830 | | shifted from previous position = 0.00421 |
| 9831 | | rotated from previous position = 0.0176 degrees |
| 9832 | | atoms outside contour = 9453, contour level = 0.228 |
| 9833 | | |
| 9834 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#7) |
| 9835 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9836 | | Matrix rotation and translation |
| 9837 | | 0.90880194 0.41722721 0.00070112 -72.35238855 |
| 9838 | | -0.41722580 0.90880151 -0.00156694 113.17889223 |
| 9839 | | -0.00129095 0.00113151 0.99999853 -73.12668364 |
| 9840 | | Axis 0.00323377 0.00238725 -0.99999192 |
| 9841 | | Axis point 222.20136531 222.54855497 0.00000000 |
| 9842 | | Rotation angle (degrees) 24.65982095 |
| 9843 | | Shift along axis 73.16230864 |
| 9844 | | |
| 9845 | | |
| 9846 | | > fitmap #8 inMap #2 |
| 9847 | | |
| 9848 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#8) to |
| 9849 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9850 | | average map value = 0.2277, steps = 28 |
| 9851 | | shifted from previous position = 0.0057 |
| 9852 | | rotated from previous position = 0.00786 degrees |
| 9853 | | atoms outside contour = 8540, contour level = 0.228 |
| 9854 | | |
| 9855 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#8) |
| 9856 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9857 | | Matrix rotation and translation |
| 9858 | | 0.99997699 -0.00678066 -0.00018707 2.15344972 |
| 9859 | | 0.00678081 0.99997668 0.00081462 -2.92228347 |
| 9860 | | 0.00018154 -0.00081587 0.99999965 -80.94013957 |
| 9861 | | Axis -0.11932653 -0.02697605 0.99248852 |
| 9862 | | Axis point 747.46801199 -1101.77514021 0.00000000 |
| 9863 | | Rotation angle (degrees) 0.39145080 |
| 9864 | | Shift along axis -80.51029176 |
| 9865 | | |
| 9866 | | |
| 9867 | | > fitmap #9 inMap #2 |
| 9868 | | |
| 9869 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#9) to |
| 9870 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9871 | | average map value = 0.2111, steps = 40 |
| 9872 | | shifted from previous position = 0.00203 |
| 9873 | | rotated from previous position = 0.00793 degrees |
| 9874 | | atoms outside contour = 8767, contour level = 0.228 |
| 9875 | | |
| 9876 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#9) |
| 9877 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9878 | | Matrix rotation and translation |
| 9879 | | 0.89972352 -0.43643139 0.00502209 119.76848196 |
| 9880 | | 0.43640040 0.89973112 0.00621257 -77.33998778 |
| 9881 | | -0.00722989 -0.00339795 0.99996809 -87.56862867 |
| 9882 | | Axis -0.01100898 0.01403482 0.99984090 |
| 9883 | | Axis point 224.98406781 220.46425210 0.00000000 |
| 9884 | | Rotation angle (degrees) 25.87984594 |
| 9885 | | Shift along axis -89.95867777 |
| 9886 | | |
| 9887 | | |
| 9888 | | > fitmap #10 inMap #2 |
| 9889 | | |
| 9890 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#10) to |
| 9891 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9892 | | average map value = 0.1816, steps = 44 |
| 9893 | | shifted from previous position = 0.0262 |
| 9894 | | rotated from previous position = 0.00649 degrees |
| 9895 | | atoms outside contour = 9526, contour level = 0.228 |
| 9896 | | |
| 9897 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#10) |
| 9898 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9899 | | Matrix rotation and translation |
| 9900 | | 0.90598424 0.42331023 -0.00100545 -73.21067778 |
| 9901 | | -0.42331138 0.90598274 -0.00166153 116.36762892 |
| 9902 | | 0.00020758 0.00193094 0.99999811 7.57388619 |
| 9903 | | Axis 0.00424325 -0.00143277 -0.99998997 |
| 9904 | | Axis point 225.36090958 222.91923330 0.00000000 |
| 9905 | | Rotation angle (degrees) 25.04405813 |
| 9906 | | Shift along axis -8.05119011 |
| 9907 | | |
| 9908 | | |
| 9909 | | > fitmap #11 inMap #2 |
| 9910 | | |
| 9911 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#11) to |
| 9912 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9913 | | average map value = 0.2316, steps = 36 |
| 9914 | | shifted from previous position = 0.00174 |
| 9915 | | rotated from previous position = 0.00149 degrees |
| 9916 | | atoms outside contour = 8372, contour level = 0.228 |
| 9917 | | |
| 9918 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#11) |
| 9919 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9920 | | Matrix rotation and translation |
| 9921 | | 0.99999999 0.00014599 -0.00001410 -0.02054051 |
| 9922 | | -0.00014599 0.99999997 0.00020570 -0.02769911 |
| 9923 | | 0.00001413 -0.00020570 0.99999998 0.03306371 |
| 9924 | | Axis -0.81420974 -0.05588161 -0.57787520 |
| 9925 | | Axis point 0.00000000 158.37989838 134.90836990 |
| 9926 | | Rotation angle (degrees) 0.01447507 |
| 9927 | | Shift along axis -0.00083454 |
| 9928 | | |
| 9929 | | |
| 9930 | | > fitmap #12 inMap #2 |
| 9931 | | |
| 9932 | | Fit molecule 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#12) to |
| 9933 | | map Xt_14-3_refine10repeated_deepemhancer.mrc (#2) using 13483 atoms |
| 9934 | | average map value = 0.2073, steps = 40 |
| 9935 | | shifted from previous position = 0.0154 |
| 9936 | | rotated from previous position = 0.00615 degrees |
| 9937 | | atoms outside contour = 8861, contour level = 0.228 |
| 9938 | | |
| 9939 | | Position of 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb (#12) |
| 9940 | | relative to Xt_14-3_refine10repeated_deepemhancer.mrc (#2) coordinates: |
| 9941 | | Matrix rotation and translation |
| 9942 | | 0.90231448 -0.43105261 0.00471434 117.38935835 |
| 9943 | | 0.43102464 0.90232072 0.00592256 -75.40614567 |
| 9944 | | -0.00680678 -0.00331201 0.99997135 -6.59426597 |
| 9945 | | Axis -0.01071043 0.01336242 0.99985336 |
| 9946 | | Axis point 224.79318101 221.16893092 0.00000000 |
| 9947 | | Rotation angle (degrees) 25.53750638 |
| 9948 | | Shift along axis -8.85819807 |
| 9949 | | |
| 9950 | | |
| 9951 | | > select clear |
| 9952 | | |
| 9953 | | > combine #7-12 |
| 9954 | | |
| 9955 | | Remapping chain ID 'B' in |
| 9956 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #8 to 'C' |
| 9957 | | Remapping chain ID 'M' in |
| 9958 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #8 to 'N' |
| 9959 | | Remapping chain ID 'Nt' in |
| 9960 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #8 to 'Nu' |
| 9961 | | Remapping chain ID 'a' in |
| 9962 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #8 to 'b' |
| 9963 | | Remapping chain ID 'nt' in |
| 9964 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #8 to 'nu' |
| 9965 | | Remapping chain ID 'B' in |
| 9966 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #9 to 'D' |
| 9967 | | Remapping chain ID 'M' in |
| 9968 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #9 to 'O' |
| 9969 | | Remapping chain ID 'Nt' in |
| 9970 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #9 to 'Nv' |
| 9971 | | Remapping chain ID 'a' in |
| 9972 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #9 to 'c' |
| 9973 | | Remapping chain ID 'nt' in |
| 9974 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #9 to 'nv' |
| 9975 | | Remapping chain ID 'B' in |
| 9976 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #10 to 'E' |
| 9977 | | Remapping chain ID 'M' in |
| 9978 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #10 to 'P' |
| 9979 | | Remapping chain ID 'Nt' in |
| 9980 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #10 to 'Nw' |
| 9981 | | Remapping chain ID 'a' in |
| 9982 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #10 to 'd' |
| 9983 | | Remapping chain ID 'nt' in |
| 9984 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #10 to 'nw' |
| 9985 | | Remapping chain ID 'B' in |
| 9986 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #11 to 'F' |
| 9987 | | Remapping chain ID 'M' in |
| 9988 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #11 to 'Q' |
| 9989 | | Remapping chain ID 'Nt' in |
| 9990 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #11 to 'Nx' |
| 9991 | | Remapping chain ID 'a' in |
| 9992 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #11 to 'e' |
| 9993 | | Remapping chain ID 'nt' in |
| 9994 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #11 to 'nx' |
| 9995 | | Remapping chain ID 'B' in |
| 9996 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #12 to 'G' |
| 9997 | | Remapping chain ID 'M' in |
| 9998 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #12 to 'R' |
| 9999 | | Remapping chain ID 'Nt' in |
| 10000 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #12 to 'Ny' |
| 10001 | | Remapping chain ID 'a' in |
| 10002 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #12 to 'f' |
| 10003 | | Remapping chain ID 'nt' in |
| 10004 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #12 to 'ny' |
| 10005 | | |
| 10006 | | > save |
| 10007 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_6dimers_hybrid_dock.pdb |
| 10008 | | > models #13 relModel #2 |
| 10009 | | |
| 10010 | | > open |
| 10011 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_6dimers_hybrid_dock.pdb |
| 10012 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_6dimers_individualchaindock.pdb |
| 10013 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_6dimers.pdb |
| 10014 | | |
| 10015 | | Chain information for 231009_Xt_14-3_dEMhcr_6dimers_hybrid_dock.pdb #14 |
| 10016 | | --- |
| 10017 | | Chain | Description |
| 10018 | | B C D E F G | No description available |
| 10019 | | a b c d e f | No description available |
| 10020 | | |
| 10021 | | Chain information for 231009_Xt_14-3_dEMhcr_6dimers_individualchaindock.pdb |
| 10022 | | #15 |
| 10023 | | --- |
| 10024 | | Chain | Description |
| 10025 | | A B C D E F | No description available |
| 10026 | | a b c d e f | No description available |
| 10027 | | |
| 10028 | | Chain information for 231009_Xt_14-3_dEMhcr_6dimers.pdb #16 |
| 10029 | | --- |
| 10030 | | Chain | Description |
| 10031 | | A B C D E F | No description available |
| 10032 | | a b c d e f | No description available |
| 10033 | | |
| 10034 | | |
| 10035 | | > select add #14 |
| 10036 | | |
| 10037 | | 80898 atoms, 81828 bonds, 24 pseudobonds, 5226 residues, 2 models selected |
| 10038 | | |
| 10039 | | > select add #15 |
| 10040 | | |
| 10041 | | 161796 atoms, 163656 bonds, 24 pseudobonds, 10452 residues, 3 models selected |
| 10042 | | |
| 10043 | | > select add #16 |
| 10044 | | |
| 10045 | | 242694 atoms, 245484 bonds, 54 pseudobonds, 15678 residues, 5 models selected |
| 10046 | | |
| 10047 | | > style sel stick |
| 10048 | | |
| 10049 | | Changed 242694 atom styles |
| 10050 | | |
| 10051 | | > hide sel atoms |
| 10052 | | |
| 10053 | | > show sel cartoons |
| 10054 | | |
| 10055 | | > show #15#!14,16 target m |
| 10056 | | |
| 10057 | | > hide #!7 models |
| 10058 | | |
| 10059 | | > hide #!8 models |
| 10060 | | |
| 10061 | | > hide #!9 models |
| 10062 | | |
| 10063 | | > hide #!10 models |
| 10064 | | |
| 10065 | | > hide #!11 models |
| 10066 | | |
| 10067 | | > hide #!12 models |
| 10068 | | |
| 10069 | | > hide #!13 models |
| 10070 | | |
| 10071 | | > hide #!2 models |
| 10072 | | |
| 10073 | | > select clear |
| 10074 | | |
| 10075 | | > hide #15 models |
| 10076 | | |
| 10077 | | > hide #!16 models |
| 10078 | | |
| 10079 | | > hide #!14 models |
| 10080 | | |
| 10081 | | > show #15 models |
| 10082 | | |
| 10083 | | > show #!14 models |
| 10084 | | |
| 10085 | | > hide #!14 models |
| 10086 | | |
| 10087 | | > show #!14 models |
| 10088 | | |
| 10089 | | > hide #!14 models |
| 10090 | | |
| 10091 | | > show #!14 models |
| 10092 | | |
| 10093 | | > hide #!14 models |
| 10094 | | |
| 10095 | | > show #!14 models |
| 10096 | | |
| 10097 | | > show #!16 models |
| 10098 | | |
| 10099 | | > hide #!16 models |
| 10100 | | |
| 10101 | | > show #!16 models |
| 10102 | | |
| 10103 | | > hide #!16 models |
| 10104 | | |
| 10105 | | > show #!16 models |
| 10106 | | |
| 10107 | | > hide #!14 models |
| 10108 | | |
| 10109 | | > hide #15 models |
| 10110 | | |
| 10111 | | > show #!14 models |
| 10112 | | |
| 10113 | | > hide #!14 models |
| 10114 | | |
| 10115 | | > show #!14 models |
| 10116 | | |
| 10117 | | > hide #!14 models |
| 10118 | | |
| 10119 | | > show #15 models |
| 10120 | | |
| 10121 | | > hide #15 models |
| 10122 | | |
| 10123 | | > show #15 models |
| 10124 | | |
| 10125 | | > hide #15 models |
| 10126 | | |
| 10127 | | > show #!14 models |
| 10128 | | |
| 10129 | | > hide #!14 models |
| 10130 | | |
| 10131 | | > show #!14 models |
| 10132 | | |
| 10133 | | > hide #!14 models |
| 10134 | | |
| 10135 | | > show #!14 models |
| 10136 | | |
| 10137 | | > hide #!16 models |
| 10138 | | |
| 10139 | | > hide #!14 models |
| 10140 | | |
| 10141 | | > show #!14 models |
| 10142 | | |
| 10143 | | > show #!16 models |
| 10144 | | |
| 10145 | | > hide #!16 models |
| 10146 | | |
| 10147 | | > show #!16 models |
| 10148 | | |
| 10149 | | > hide #!16 models |
| 10150 | | |
| 10151 | | > show #!16 models |
| 10152 | | |
| 10153 | | > hide #!16 models |
| 10154 | | |
| 10155 | | > hide #14.1 models |
| 10156 | | |
| 10157 | | > hide #16.1 models |
| 10158 | | |
| 10159 | | > hide #!14 models |
| 10160 | | |
| 10161 | | > show #16.1 models |
| 10162 | | |
| 10163 | | > hide #16.1 models |
| 10164 | | |
| 10165 | | > show #14.1 models |
| 10166 | | |
| 10167 | | > hide #!14 models |
| 10168 | | |
| 10169 | | > show #!14 models |
| 10170 | | |
| 10171 | | > hide #!14 models |
| 10172 | | |
| 10173 | | > hide #14.1 models |
| 10174 | | |
| 10175 | | > hide #!16 models |
| 10176 | | |
| 10177 | | > show #!16 models |
| 10178 | | |
| 10179 | | > show #16.1 models |
| 10180 | | |
| 10181 | | > hide #16.1 models |
| 10182 | | |
| 10183 | | > hide #!16 models |
| 10184 | | |
| 10185 | | > show #!7 models |
| 10186 | | |
| 10187 | | > hide #!7 models |
| 10188 | | |
| 10189 | | > changechains #7/B A |
| 10190 | | |
| 10191 | | Chain IDs of 430 residues changed |
| 10192 | | |
| 10193 | | > show #!7 models |
| 10194 | | |
| 10195 | | > changechains #8/B A |
| 10196 | | |
| 10197 | | Chain IDs of 430 residues changed |
| 10198 | | |
| 10199 | | > changechains #9/B A |
| 10200 | | |
| 10201 | | Chain IDs of 430 residues changed |
| 10202 | | |
| 10203 | | > changechains #10/B A |
| 10204 | | |
| 10205 | | Chain IDs of 430 residues changed |
| 10206 | | |
| 10207 | | > changechains #11/B A |
| 10208 | | |
| 10209 | | Chain IDs of 430 residues changed |
| 10210 | | |
| 10211 | | > changechains #12/B A |
| 10212 | | |
| 10213 | | Chain IDs of 430 residues changed |
| 10214 | | |
| 10215 | | > show #!8 models |
| 10216 | | |
| 10217 | | > show #!9 models |
| 10218 | | |
| 10219 | | > show #!10 models |
| 10220 | | |
| 10221 | | > show #!11 models |
| 10222 | | |
| 10223 | | > show #!12 models |
| 10224 | | |
| 10225 | | > show #!14 models |
| 10226 | | |
| 10227 | | > hide #!14 models |
| 10228 | | |
| 10229 | | > show #!14 models |
| 10230 | | |
| 10231 | | > hide #!14 models |
| 10232 | | |
| 10233 | | > show #!14 models |
| 10234 | | |
| 10235 | | > hide #!14 models |
| 10236 | | |
| 10237 | | > show #!14 models |
| 10238 | | |
| 10239 | | > show #14.1 models |
| 10240 | | |
| 10241 | | > hide #14.1 models |
| 10242 | | |
| 10243 | | > hide #!14 models |
| 10244 | | |
| 10245 | | > show #!14 models |
| 10246 | | |
| 10247 | | > hide #!14 models |
| 10248 | | |
| 10249 | | > show #!13 models |
| 10250 | | |
| 10251 | | > hide #!13 models |
| 10252 | | |
| 10253 | | > show #!13 models |
| 10254 | | |
| 10255 | | > hide #!13 models |
| 10256 | | |
| 10257 | | > show #!13 models |
| 10258 | | |
| 10259 | | > hide #!13 models |
| 10260 | | |
| 10261 | | > combine #7-12 |
| 10262 | | |
| 10263 | | Remapping chain ID 'A' in |
| 10264 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #8 to 'B' |
| 10265 | | Remapping chain ID 'M' in |
| 10266 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #8 to 'N' |
| 10267 | | Remapping chain ID 'Nt' in |
| 10268 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #8 to 'Nu' |
| 10269 | | Remapping chain ID 'a' in |
| 10270 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #8 to 'b' |
| 10271 | | Remapping chain ID 'nt' in |
| 10272 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #8 to 'nu' |
| 10273 | | Remapping chain ID 'A' in |
| 10274 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #9 to 'C' |
| 10275 | | Remapping chain ID 'M' in |
| 10276 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #9 to 'O' |
| 10277 | | Remapping chain ID 'Nt' in |
| 10278 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #9 to 'Nv' |
| 10279 | | Remapping chain ID 'a' in |
| 10280 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #9 to 'c' |
| 10281 | | Remapping chain ID 'nt' in |
| 10282 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #9 to 'nv' |
| 10283 | | Remapping chain ID 'A' in |
| 10284 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #10 to 'D' |
| 10285 | | Remapping chain ID 'M' in |
| 10286 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #10 to 'P' |
| 10287 | | Remapping chain ID 'Nt' in |
| 10288 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #10 to 'Nw' |
| 10289 | | Remapping chain ID 'a' in |
| 10290 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #10 to 'd' |
| 10291 | | Remapping chain ID 'nt' in |
| 10292 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #10 to 'nw' |
| 10293 | | Remapping chain ID 'A' in |
| 10294 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #11 to 'E' |
| 10295 | | Remapping chain ID 'M' in |
| 10296 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #11 to 'Q' |
| 10297 | | Remapping chain ID 'Nt' in |
| 10298 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #11 to 'Nx' |
| 10299 | | Remapping chain ID 'a' in |
| 10300 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #11 to 'e' |
| 10301 | | Remapping chain ID 'nt' in |
| 10302 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #11 to 'nx' |
| 10303 | | Remapping chain ID 'A' in |
| 10304 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #12 to 'F' |
| 10305 | | Remapping chain ID 'M' in |
| 10306 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #12 to 'R' |
| 10307 | | Remapping chain ID 'Nt' in |
| 10308 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #12 to 'Ny' |
| 10309 | | Remapping chain ID 'a' in |
| 10310 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #12 to 'f' |
| 10311 | | Remapping chain ID 'nt' in |
| 10312 | | 231009_Xt_14-3_dEMhcr_1dimer_renamed_fit_individual.pdb #12 to 'ny' |
| 10313 | | |
| 10314 | | > save |
| 10315 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_6dimers_hybrid_dock.pdb |
| 10316 | | > models #17 relModel #2 |
| 10317 | | |
| 10318 | | > open |
| 10319 | | > /d/emr214/u/tl002/Xtropicalis_2209/Isolde/231009_Xt_14-3_dEMhcr_6dimers_hybrid_dock.pdb |
| 10320 | | |
| 10321 | | Chain information for 231009_Xt_14-3_dEMhcr_6dimers_hybrid_dock.pdb #18 |
| 10322 | | --- |
| 10323 | | Chain | Description |
| 10324 | | A B C D E F | No description available |
| 10325 | | a b c d e f | No description available |
| 10326 | | |
| 10327 | | |
| 10328 | | > hide #!17 models |
| 10329 | | |
| 10330 | | > hide #!12 models |
| 10331 | | |
| 10332 | | > hide #!11 models |
| 10333 | | |
| 10334 | | > hide #!10 models |
| 10335 | | |
| 10336 | | > hide #!9 models |
| 10337 | | |
| 10338 | | > hide #!8 models |
| 10339 | | |
| 10340 | | > hide #!7 models |
| 10341 | | |
| 10342 | | > select add #18 |
| 10343 | | |
| 10344 | | 80898 atoms, 81828 bonds, 24 pseudobonds, 5226 residues, 2 models selected |
| | 3397 | [deleted to fit within ticket limits] |