Changes between Initial Version and Version 1 of Ticket #18674
- Timestamp:
- Sep 2, 2025, 10:22:03 AM (7 weeks ago)
Legend:
- Unmodified
- Added
- Removed
- Modified
-
Ticket #18674
- Property Component Unassigned → Window Toolkit
- Property Owner set to
- Property Platform → all
- Property Project → ChimeraX
- Property Status new → assigned
- Property Summary ChimeraX bug report submission → Crash on Mac waking from sleep
-
Ticket #18674 – Description
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1509 }, 1510 { 1511 "source" : "P", 1512 "arch" : "arm64e", 1513 "base" : 6578733056, 1514 "size" : 528964, 1515 "uuid" : "dfea8794-80ce-37c3-8f6a-108aa1d0b1b0", 1516 "path" : "\/usr\/lib\/system\/libsystem_c.dylib", 1517 "name" : "libsystem_c.dylib" 1518 }, 1519 { 1520 "source" : "P", 1521 "arch" : "arm64e", 1522 "base" : 6580461568, 1523 "size" : 32268, 1524 "uuid" : "fd19a599-8750-31f9-924f-c2810c938371", 1525 "path" : "\/usr\/lib\/system\/libsystem_platform.dylib", 1526 "name" : "libsystem_platform.dylib" 1527 }, 1528 { 1529 "source" : "P", 1530 "arch" : "arm64e", 1531 "base" : 6647164928, 1532 "CFBundleShortVersionString" : "6.9", 1533 "CFBundleIdentifier" : "com.apple.AppKit", 1534 "size" : 21564992, 1535 "uuid" : "860c164c-d04c-30ff-8c6f-e672b74caf11", 1536 "path" : "\/System\/Library\/Frameworks\/AppKit.framework\/Versions\/C\/AppKit", 1537 "name" : "AppKit", 1538 "CFBundleVersion" : "2575.70.52" 1539 }, 1540 { 1541 "source" : "P", 1542 "arch" : "arm64e", 1543 "base" : 6681145344, 1544 "CFBundleShortVersionString" : "1.600.0", 1545 "CFBundleIdentifier" : "com.apple.SkyLight", 1546 "size" : 5398624, 1547 "uuid" : "4e052846-80c2-38af-85bf-1482e070a32b", 1548 "path" : "\/System\/Library\/PrivateFrameworks\/SkyLight.framework\/Versions\/A\/SkyLight", 1549 "name" : "SkyLight" 1550 }, 1551 { 1552 "source" : "P", 1553 "arch" : "arm64e", 1554 "base" : 6578429952, 1555 "size" : 288608, 1556 "uuid" : "24ce0d89-4114-30c2-a81a-3db1f5931cff", 1557 "path" : "\/usr\/lib\/system\/libdispatch.dylib", 1558 "name" : "libdispatch.dylib" 1559 }, 1560 { 1561 "source" : "P", 1562 "arch" : "arm64e", 1563 "base" : 6580690944, 1564 "CFBundleShortVersionString" : "6.9", 1565 "CFBundleIdentifier" : "com.apple.CoreFoundation", 1566 "size" : 5500928, 1567 "uuid" : "8d45baee-6cc0-3b89-93fd-ea1c8e15c6d7", 1568 "path" : "\/System\/Library\/Frameworks\/CoreFoundation.framework\/Versions\/A\/CoreFoundation", 1569 "name" : "CoreFoundation", 1570 "CFBundleVersion" : "3603" 1571 }, 1572 { 1573 "source" : "P", 1574 "arch" : "arm64e", 1575 "base" : 6776094720, 1576 "CFBundleShortVersionString" : "2.1.1", 1577 "CFBundleIdentifier" : "com.apple.HIToolbox", 1578 "size" : 3174368, 1579 "uuid" : "1a037942-11e0-3fc8-aad2-20b11e7ae1a4", 1580 "path" : "\/System\/Library\/Frameworks\/Carbon.framework\/Versions\/A\/Frameworks\/HIToolbox.framework\/Versions\/A\/HIToolbox", 1581 "name" : "HIToolbox" 1582 }, 1583 { 1584 "source" : "P", 1585 "arch" : "arm64e", 1586 "base" : 6576406528, 1587 "size" : 636280, 1588 "uuid" : "3247e185-ced2-36ff-9e29-47a77c23e004", 1589 "path" : "\/usr\/lib\/dyld", 1590 "name" : "dyld" 1591 }, 1592 { 1593 "size" : 0, 1594 "source" : "A", 1595 "base" : 0, 1596 "uuid" : "00000000-0000-0000-0000-000000000000" 1597 }, 1598 { 1599 "source" : "P", 1600 "arch" : "arm64e", 1601 "base" : 6603698176, 1602 "CFBundleShortVersionString" : "6.9", 1603 "CFBundleIdentifier" : "com.apple.Foundation", 1604 "size" : 14587296, 1605 "uuid" : "b9a92060-f21e-3ecf-9ded-94a65c68a6f4", 1606 "path" : "\/System\/Library\/Frameworks\/Foundation.framework\/Versions\/C\/Foundation", 1607 "name" : "Foundation", 1608 "CFBundleVersion" : "3603" 1609 } 73 [deleted to fit within ticket limits] 74 1610 75 ], 1611 76 "sharedCache" : { … … 2583 1048 > ui mousemode right "rotate selected models" 2584 1049 2585 > view matrix models 2586 > #2,-0.95306,-0.23881,-0.18612,55.377,0.066915,0.4334,-0.89871,42.854,0.29528,-0.86899,-0.39708,32.966 2587 2588 > view matrix models 2589 > #2,-0.95139,0.064309,-0.30119,55.993,0.3073,0.26314,-0.91451,37.267,0.020443,-0.96261,-0.27011,38.734 2590 2591 > view matrix models 2592 > #2,-0.9238,0.27869,-0.26252,48.177,0.34,0.28194,-0.89717,34.491,-0.17602,-0.91806,-0.35522,51.067 2593 2594 > view matrix models 2595 > #2,-0.95121,0.25091,-0.17957,44.939,0.26484,0.36532,-0.89241,35.635,-0.15831,-0.89643,-0.41395,53.39 2596 2597 > volume #1 level 0.0347 2598 2599 > volume #1 level 0.1003 2600 2601 > ui mousemode right "translate selected models" 2602 2603 > ui mousemode right "rotate selected models" 2604 2605 > view matrix models 2606 > #2,-0.93909,0.24057,-0.24544,48.57,0.32404,0.38183,-0.86557,31.238,-0.11451,-0.89237,-0.43653,52.832 2607 2608 > volume #1 level 0.1162 2609 2610 > select clear 2611 2612 > open /Users/u6290062/Library/CloudStorage/OneDrive- 2613 > AustralianNationalUniversity/Documents/BIO- 2614 > SAXS_data/EPN_24196/reduced_data/standard_mode_reduction/1E4_12mgml_2565fa7c_E12k4_D750/DENSS_20_slow/A_S_SM_1E4_12mgml_2565fa7c_E12k4_D750_refine_aligned.mrc 2615 2616 Opened A_S_SM_1E4_12mgml_2565fa7c_E12k4_D750_refine_aligned.mrc as #3, grid 2617 size 64,64,64, pixel 2.58, shown at level 0.00127, step 1, values float32 2618 2619 > volume #3 level 0.05394 2620 2621 > select add #3 2622 2623 2 models selected 2624 2625 > view matrix models 2626 > #3,0.90439,-0.32834,0.27253,0.55824,0.30016,0.03557,-0.95322,1.122,0.30329,0.94389,0.13073,-1.6301 2627 2628 > view matrix models 2629 > #3,0.90114,-0.28883,0.3233,0.53428,0.34884,0.0403,-0.93632,1.1979,0.25741,0.95653,0.13707,-1.7097 2630 2631 > view matrix models 2632 > #3,0.90998,-0.25742,0.32508,0.50189,0.36592,0.12972,-0.92156,1.1016,0.19506,0.95755,0.21223,-1.7428 2633 2634 > volume #3 level 0.01005 2635 2636 > view matrix models 2637 > #3,0.85452,-0.29737,0.42588,0.71244,0.4528,0.024725,-0.89127,1.7863,0.2545,0.95444,0.15578,-1.6904 2638 2639 > view matrix models 2640 > #3,0.82766,-0.42728,0.36389,0.72372,0.4185,0.037858,-0.90743,1.571,0.37395,0.90333,0.21015,-0.93365 2641 2642 > view matrix models 2643 > #3,0.82868,-0.44662,0.33737,0.68869,0.4024,0.056409,-0.91373,1.444,0.38905,0.89295,0.22646,-0.79796 2644 2645 > ui mousemode right "translate selected models" 2646 2647 > view matrix models 2648 > #3,0.82868,-0.44662,0.33737,2.7517,0.4024,0.056409,-0.91373,0.90906,0.38905,0.89295,0.22646,2.1876 2649 2650 > volume #3 level 0.02761 2651 2652 > volume #3 style mesh 2653 2654 > select clear 2655 2656 > hide #!1 models 2657 2658 > color #3 black models 2659 2660 > color #3 #942193ff models 2661 2662 > color #3 #0433ffff models 2663 2664 > color #3 #9437ffff models 2665 2666 > color #3 #ff2600ff models 2667 2668 > color #3 #d6d6d6ff models 2669 2670 > color #3 #919191ff models 2671 2672 > color #3 #797979ff models 2673 2674 > color #3 silver models 2675 2676 > color #3 darkgrey models 2677 2678 > show #!1 models 2679 2680 > hide #!3 models 2681 2682 > show #!3 models 2683 2684 > volume #3 level -0.007502 2685 2686 > hide #!3 models 2687 2688 > ui mousemode right "rotate selected models" 2689 2690 > select add #2 2691 2692 1823 atoms, 1798 bonds, 189 residues, 1 model selected 2693 2694 > view matrix models 2695 > #2,-0.93051,0.25996,-0.25802,48.569,0.35574,0.47383,-0.80556,24.471,-0.087155,-0.84137,-0.53338,56.427 2696 2697 > view matrix models 2698 > #2,-0.65984,0.74305,-0.1117,18.76,0.46661,0.28868,-0.83602,25.446,-0.58896,-0.60377,-0.5372,72.682 2699 2700 > view matrix models 2701 > #2,-0.65535,0.74253,-0.13843,20.177,0.50482,0.29426,-0.81152,22.284,-0.56185,-0.60171,-0.56769,73.329 2702 2703 > view matrix models 2704 > #2,-0.81072,0.54348,-0.21764,35.41,0.43735,0.31511,-0.84228,26.497,-0.38917,-0.77803,-0.49316,65.298 2705 2706 > hide #2 models 2707 2708 > show #2 models 2709 2710 > select subtract #2 2711 2712 Nothing selected 2713 2714 > select clear 2715 2716 > volume #1 level 0.09437 2717 2718 > ui mousemode right "translate selected models" 2719 2720 > hide #2 models 2721 2722 > show #2 models 2723 2724 > select add #2 2725 2726 1823 atoms, 1798 bonds, 189 residues, 1 model selected 2727 2728 > view matrix models 2729 > #2,-0.81072,0.54348,-0.21764,35.713,0.43735,0.31511,-0.84228,24.938,-0.38917,-0.77803,-0.49316,64.981 2730 2731 > hide #2 models 2732 2733 > show #2 models 2734 2735 > select subtract #2 2736 2737 Nothing selected 2738 2739 > color #2 #919191ff 2740 2741 > color #2 #008f00ff 2742 2743 > color #2 #919191ff 2744 2745 > color #2 #797979ff 2746 2747 > color #2 #919191ff 2748 2749 > color #2 darkgrey 2750 2751 > color #2 silver 2752 2753 > color #2 #919191ff 2754 2755 > color #2 #929292ff 2756 2757 > color #1 #797979ff models 2758 2759 > color #1 #919191ff models 2760 2761 > color #1 #797979ff models 2762 2763 > color #1 #5e5e5eff models 2764 2765 > color #1 #797979ff models 2766 2767 > color #1 #919191ff models 2768 2769 > select clear 2770 2771 > volume #1 level 0.1123 2772 2773 > volume #1 level 0.1819 2774 2775 > volume #1 level 0.1262 2776 2777 > volume #1 level 0.08243 2778 2779 > select add #2 2780 2781 1823 atoms, 1798 bonds, 189 residues, 1 model selected 2782 2783 > view matrix models 2784 > #2,-0.81072,0.54348,-0.21764,35.569,0.43735,0.31511,-0.84228,25.584,-0.38917,-0.77803,-0.49316,65.236 2785 2786 > ui mousemode right "rotate selected models" 2787 2788 > view matrix models 2789 > #2,-0.076082,0.97165,0.22384,-30.001,0.62727,0.22114,-0.74674,13.908,-0.77507,0.083593,-0.62632,71.673 2790 2791 > select subtract #2 2792 2793 Nothing selected 2794 2795 > select clear 2796 2797 > volume #1 level 0.168 2798 2799 > select clear 2800 2801 > select add #2 2802 2803 1823 atoms, 1798 bonds, 189 residues, 1 model selected 2804 2805 > view matrix models 2806 > #2,-0.084348,0.96935,0.23075,-30.022,0.64497,0.22963,-0.72889,11.936,-0.75954,0.087344,-0.64457,72.039 2807 2808 > view matrix models 2809 > #2,-0.095717,0.89863,0.42813,-39.871,0.61133,0.3925,-0.68718,7.5333,-0.78557,0.19595,-0.58693,67.475 2810 2811 > view matrix models 2812 > #2,-0.16416,0.91475,0.36916,-33.84,0.60904,0.38838,-0.69154,7.9715,-0.77596,0.11132,-0.62088,70.822 2813 2814 > view matrix models 2815 > #2,-0.17183,0.91089,0.37518,-33.801,0.62501,0.39518,-0.67319,6.0759,-0.76147,0.11882,-0.63722,71.04 2816 2817 > view matrix models 2818 > #2,-0.53276,0.84625,0.0055281,4.5488,-0.58212,-0.3712,0.72342,-11.353,0.61425,0.38219,0.69038,-70.633 2819 2820 > view matrix models 2821 > #2,-0.47611,0.8724,-0.11061,8.5821,-0.5465,-0.19499,0.81444,-21.845,0.68895,0.44822,0.56961,-67.886 2822 2823 > view matrix models 2824 > #2,-0.47923,0.87645,-0.046643,4.8173,-0.5294,-0.24626,0.81185,-21.358,0.70006,0.41376,0.582,-68.385 2825 2826 > view matrix models 2827 > #2,-0.45136,0.88961,-0.069751,4.7676,-0.54197,-0.2112,0.81343,-21.643,0.7089,0.40495,0.57747,-68.303 2828 2829 > view matrix models 2830 > #2,-0.42339,0.90019,-0.10199,5.3101,-0.68646,-0.24532,0.68454,-7.2606,0.59119,0.35984,0.72181,-71.091 2831 2832 > view matrix models 2833 > #2,-0.42612,0.89919,-0.099372,5.2879,-0.67465,-0.24267,0.69711,-8.5548,0.60272,0.36409,0.71005,-70.956 2834 2835 > ui mousemode right "translate selected models" 2836 2837 > view matrix models 2838 > #2,-0.42612,0.89919,-0.099372,5.4026,-0.67465,-0.24267,0.69711,-9.7406,0.60272,0.36409,0.71005,-71.422 2839 2840 > select subtract #2 2841 2842 Nothing selected 2843 2844 > select clear 2845 2846 > ui mousemode right "rotate selected models" 2847 2848 > select add #2 2849 2850 1823 atoms, 1798 bonds, 189 residues, 1 model selected 2851 2852 > view matrix models 2853 > #2,-0.43109,0.89722,-0.095713,5.4316,-0.65373,-0.23745,0.71851,-11.992,0.62193,0.37231,0.6889,-71.128 2854 2855 > select subtract #2 2856 2857 Nothing selected 2858 2859 > ui mousemode right "translate selected models" 2860 2861 > select add #2 2862 2863 1823 atoms, 1798 bonds, 189 residues, 1 model selected 2864 2865 > view matrix models 2866 > #2,-0.43109,0.89722,-0.095713,5.3511,-0.65373,-0.23745,0.71851,-12.464,0.62193,0.37231,0.6889,-70.662 2867 2868 > hide #!3 models 2869 2870 > volume #1 level 0.1859 2871 2872 > select clear 2873 2874 > volume #1 level 0.286 2875 2876 > volume #1 level 0.186 2877 2878 > color #1 #008f00ff models 2879 2880 > color #1 #fffb00ff models 2881 2882 > color #1 darkgrey models 2883 2884 > color #2 #fffb00ff 2885 2886 > color #2 #fffc79ff 2887 2888 > color #2 #ffd479ff 2889 2890 > color #2 #fffc79ff 2891 2892 > color #2 #d4fb79ff 2893 2894 > color #2 #ebebebff 2895 2896 > color #2 #d6d6d6ff 2897 2898 > color #2 silver 2899 2900 > color #2 darkgrey 2901 2902 > color #2 #929292ff 2903 2904 > color #2 darkgrey 2905 2906 > color #1 black models 2907 2908 > color #1 #424242ff models 2909 2910 > color #1 #797979ff models 2911 2912 > color #1 #929292ff models 2913 2914 > select clear 2915 2916 > volume #1 level 0.176 2917 2918 > volume #1 level 0.196 2919 2920 > volume #1 level 0.199 2921 2922 > select add #2 2923 2924 1823 atoms, 1798 bonds, 189 residues, 1 model selected 2925 2926 > ui mousemode right "rotate selected models" 2927 2928 > view matrix models 2929 > #2,-0.44073,0.89306,-0.090513,5.5266,-0.62073,-0.23038,0.74941,-15.821,0.64842,0.38647,0.65589,-70.085 2930 2931 > ui mousemode right "translate selected models" 2932 2933 > view matrix models 2934 > #2,-0.44073,0.89306,-0.090513,5.3586,-0.62073,-0.23038,0.74941,-14.772,0.64842,0.38647,0.65589,-69.805 2935 2936 > ui mousemode right "rotate selected models" 2937 2938 > view matrix models 2939 > #2,-0.43095,0.89704,-0.097985,5.3165,-0.6493,-0.23285,0.72401,-12.02,0.62665,0.37564,0.6828,-70.283 2940 2941 > ui mousemode right "translate selected models" 2942 2943 > view matrix models 2944 > #2,-0.43095,0.89704,-0.097985,5.6796,-0.6493,-0.23285,0.72401,-12.965,0.62665,0.37564,0.6828,-71.117 2945 2946 > view matrix models 2947 > #2,-0.43095,0.89704,-0.097985,5.4149,-0.6493,-0.23285,0.72401,-12.877,0.62665,0.37564,0.6828,-70.315 2948 2949 > view matrix models 2950 > #2,-0.43095,0.89704,-0.097985,5.4984,-0.6493,-0.23285,0.72401,-12.89,0.62665,0.37564,0.6828,-70.577 2951 2952 > view matrix models 2953 > #2,-0.43095,0.89704,-0.097985,5.4888,-0.6493,-0.23285,0.72401,-12.815,0.62665,0.37564,0.6828,-70.588 2954 2955 > ui mousemode right "rotate selected models" 2956 2957 > view matrix models 2958 > #2,-0.42984,0.89753,-0.098356,5.4545,-0.65201,-0.23319,0.72146,-12.543,0.6246,0.37424,0.68544,-70.632 2959 2960 > view matrix models 2961 > #2,0.72897,0.67465,0.11595,-50.959,-0.28779,0.14835,0.94613,-48.843,0.62111,-0.72307,0.3023,-25.316 2962 2963 > view matrix models 2964 > #2,-0.36726,0.88871,-0.27443,13.524,-0.68642,-0.059863,0.72474,-14.837,0.62766,0.45454,0.63201,-69.211 2965 2966 > ui mousemode right "translate selected models" 2967 2968 > view matrix models 2969 > #2,-0.36726,0.88871,-0.27443,13.257,-0.68642,-0.059863,0.72474,-14.235,0.62766,0.45454,0.63201,-68.693 2970 2971 > select clear 2972 2973 > ui mousemode right "rotate selected models" 2974 2975 > select add #2 2976 2977 1823 atoms, 1798 bonds, 189 residues, 1 model selected 2978 2979 > view matrix models 2980 > #2,-0.35924,0.89032,-0.27979,13.21,-0.7067,-0.063715,0.70464,-12.115,0.60952,0.45086,0.65208,-69.06 2981 2982 > ui mousemode right "translate selected models" 2983 2984 > view matrix models 2985 > #2,-0.35924,0.89032,-0.27979,13.406,-0.7067,-0.063715,0.70464,-11.986,0.60952,0.45086,0.65208,-69.65 2986 2987 > select subtract #2 2988 2989 Nothing selected 2990 2991 > ui mousemode right "rotate selected models" 2992 2993 > select add #2 2994 2995 1823 atoms, 1798 bonds, 189 residues, 1 model selected 2996 2997 > view matrix models 2998 > #2,-0.38281,0.70266,-0.59978,37.274,-0.84038,-0.5345,-0.089808,50.497,-0.38369,0.46966,0.79511,-37.26 2999 3000 > view matrix models 3001 > #2,-0.26922,0.56303,-0.78135,46.214,-0.82765,0.27958,0.48664,-0.95674,0.49245,0.77771,0.39073,-55.863 3002 3003 > view matrix models 3004 > #2,-0.41461,-0.73281,-0.53952,64.232,-0.65936,-0.16669,0.73311,-13.555,-0.62717,0.65969,-0.41408,41.049 3005 3006 > view matrix models 3007 > #2,0.57268,-0.81626,0.07588,-11.79,-0.3511,-0.16058,0.92246,-37.78,-0.74079,-0.55492,-0.37855,68.386 3008 3009 > view matrix models 3010 > #2,0.5712,-0.81739,0.0749,-11.647,-0.35131,-0.16099,0.92231,-37.754,-0.74183,-0.55314,-0.37911,68.426 3011 3012 > view matrix models 3013 > #2,0.26197,-0.9629,-0.064823,12.498,-0.1515,-0.10737,0.98261,-50.746,-0.95311,-0.2476,-0.17401,58.768 3014 3015 > view matrix models 3016 > #2,0.28078,-0.95711,-0.071408,11.991,-0.22437,-0.1378,0.96471,-46.03,-0.93318,-0.25485,-0.25344,62.82 3017 3018 > view matrix models 3019 > #2,0.28266,-0.95661,-0.070694,11.86,-0.22403,-0.1375,0.96483,-46.058,-0.93269,-0.25688,-0.25317,62.826 3020 3021 > select clear 3022 3023 > select add #2 3024 3025 1823 atoms, 1798 bonds, 189 residues, 1 model selected 3026 3027 > view matrix models 3028 > #2,0.27601,-0.95878,-0.067489,11.99,-0.18811,-0.12274,0.97445,-48.425,-0.94257,-0.25626,-0.21423,60.903 3029 3030 > select clear 3031 3032 > select add #2 3033 3034 1823 atoms, 1798 bonds, 189 residues, 1 model selected 3035 3036 > ui mousemode right "translate selected models" 3037 3038 > view matrix models 3039 > #2,0.27601,-0.95878,-0.067489,12.105,-0.18811,-0.12274,0.97445,-49.331,-0.94257,-0.25626,-0.21423,60.712 3040 3041 > select subtract #2 3042 3043 Nothing selected 3044 3045 > volume #1 level 0.1354 3046 3047 > select add #2 3048 3049 1823 atoms, 1798 bonds, 189 residues, 1 model selected 3050 3051 > view matrix models 3052 > #2,0.27601,-0.95878,-0.067489,11.743,-0.18811,-0.12274,0.97445,-45.93,-0.94257,-0.25626,-0.21423,61.16 3053 3054 > ui mousemode right "rotate selected models" 3055 3056 > view matrix models 3057 > #2,0.26169,-0.96512,-0.0071889,8.8737,-0.27926,-0.082848,0.95663,-41.891,-0.92387,-0.24834,-0.2912,64.807 3058 3059 > view matrix models 3060 > #2,-0.035977,-0.9571,-0.28751,37.791,-0.050686,-0.28557,0.95702,-47.29,-0.99807,0.049004,-0.038238,46.765 3061 3062 > view matrix models 3063 > #2,0.35137,-0.93581,0.028388,2.4282,-0.25569,-0.066748,0.96445,-43.665,-0.90064,-0.34614,-0.26273,64.136 3064 3065 > view matrix models 3066 > #2,0.39555,-0.91755,-0.040398,4.3186,-0.20352,-0.13046,0.97034,-44.888,-0.89561,-0.3756,-0.23834,63.074 3067 3068 > ui mousemode right "translate selected models" 3069 3070 > view matrix models 3071 > #2,0.39555,-0.91755,-0.040398,5.0464,-0.20352,-0.13046,0.97034,-47.195,-0.89561,-0.3756,-0.23834,63.401 3072 3073 > view matrix models 3074 > #2,0.39555,-0.91755,-0.040398,4.9786,-0.20352,-0.13046,0.97034,-47.153,-0.89561,-0.3756,-0.23834,63.196 3075 3076 > select clear 3077 3078 > volume #1 level 0.145 3079 3080 > volume #1 level 0.155 3081 3082 > graphics silhouettes true 3083 3084 > graphics silhouettes width 0.5 3085 3086 > graphics silhouettes width 0.6 3087 3088 > graphics silhouettes width 0.7 3089 3090 > graphics silhouettes width 0.8 3091 3092 > select clear 3093 3094 > lighting flat 3095 3096 > lighting soft 3097 3098 > lighting simple 3099 3100 > lighting full 3101 3102 > lighting flat 3103 3104 > lighting shadows true intensity 0.5 3105 3106 > lighting soft 3107 3108 > lighting shadows true intensity 0.5 3109 3110 > lighting soft 3111 3112 > ui mousemode right "rotate selected models" 3113 3114 > select add #2 3115 3116 1823 atoms, 1798 bonds, 189 residues, 1 model selected 3117 3118 > view matrix models 3119 > #2,0.40195,-0.91481,-0.039464,4.601,-0.25621,-0.15374,0.95432,-43.534,-0.87909,-0.37348,-0.29618,65.912 3120 3121 > ui mousemode right "translate selected models" 3122 3123 > view matrix models 3124 > #2,0.40195,-0.91481,-0.039464,4.4932,-0.25621,-0.15374,0.95432,-42.647,-0.87909,-0.37348,-0.29618,65.627 3125 3126 > view matrix models 3127 > #2,0.40195,-0.91481,-0.039464,4.451,-0.25621,-0.15374,0.95432,-42.319,-0.87909,-0.37348,-0.29618,65.366 3128 3129 > ui mousemode right "rotate selected models" 3130 3131 > view matrix models 3132 > #2,0.57486,-0.81089,0.10955,-13.734,-0.28538,-0.073207,0.95562,-42.824,-0.76688,-0.58061,-0.27349,63.566 3133 3134 > ui mousemode right "translate selected models" 3135 3136 > view matrix models 3137 > #2,0.57486,-0.81089,0.10955,-13.705,-0.28538,-0.073207,0.95562,-42.949,-0.76688,-0.58061,-0.27349,64.475 3138 3139 > ui mousemode right "rotate selected models" 3140 3141 > view matrix models 3142 > #2,0.57073,-0.81388,0.10894,-13.436,-0.25194,-0.047294,0.96659,-45.521,-0.78153,-0.57911,-0.23204,62.584 3143 3144 > view matrix models 3145 > #2,0.57664,-0.80321,0.14948,-16.314,-0.27198,-0.016199,0.96217,-45.057,-0.7704,-0.59548,-0.2278,62.202 3146 3147 > view matrix models 3148 > #2,0.58355,-0.80984,0.060278,-11.151,-0.22137,-0.087221,0.97128,-46.259,-0.78132,-0.58013,-0.23017,62.485 3149 3150 > view matrix models 3151 > #2,0.58355,-0.80986,0.06001,-11.135,-0.22078,-0.087106,0.97143,-46.294,-0.78149,-0.58012,-0.22963,62.46 3152 3153 > view matrix models 3154 > #2,0.47365,-0.87566,0.094267,-7.2668,-0.26187,-0.03783,0.96436,-45.168,-0.84088,-0.48145,-0.24723,63.968 3155 3156 > ui mousemode right "translate selected models" 3157 3158 > view matrix models 3159 > #2,0.47365,-0.87566,0.094267,-7.0143,-0.26187,-0.03783,0.96436,-45.913,-0.84088,-0.48145,-0.24723,63.068 3160 3161 > select clear 3162 3163 > volume #1 level 0.165 3164 3165 > volume #1 level 0.175 3166 3167 > volume #1 level 0.185 3168 3169 > volume #1 level 0.195 3170 3171 > color #2 #f6f6f6ff 3172 3173 > color #2 #942193ff 3174 3175 > color #2 #941751ff 3176 3177 > select /A 3178 3179 888 atoms, 902 bonds, 68 residues, 1 model selected 3180 3181 > ui tool show "Color Actions" 3182 3183 > color sel slate gray 3184 3185 > select /B 3186 3187 880 atoms, 896 bonds, 66 residues, 1 model selected 3188 3189 > color sel light gray target c 3190 3191 > color sel silver target c 3192 3193 > select clear 3194 3195 > select /B 3196 3197 880 atoms, 896 bonds, 66 residues, 1 model selected 3198 3199 > color sel gray target c 3200 3201 > color sel light gray target c 3202 3203 > color sel silver target c 3204 3205 > color sel gainsboro target c 3206 3207 > color sel silver target c 3208 3209 > select clear 3210 3211 > color #1 black models 3212 3213 > color #1 #212121ff models 3214 3215 > color #1 #424242ff models 3216 3217 > color #1 #5e5e5eff models 3218 3219 > color #1 #797979ff models 3220 3221 > select add #2 3222 3223 1823 atoms, 1798 bonds, 189 residues, 1 model selected 3224 3225 > view matrix models 3226 > #2,0.47365,-0.87566,0.094267,-6.1759,-0.26187,-0.03783,0.96436,-45.88,-0.84088,-0.48145,-0.24723,62.917 3227 3228 > ui mousemode right "rotate selected models" 3229 3230 > view matrix models 3231 > #2,0.50678,-0.86127,0.037171,-4.4442,-0.18467,-0.066345,0.98056,-49.475,-0.84206,-0.5038,-0.19268,60.17 3232 3233 > select clear 3234 3235 > select /B 3236 3237 880 atoms, 896 bonds, 66 residues, 1 model selected 3238 3239 > color sel black target c 3240 3241 > color sel light slate gray target c 3242 3243 > color sel slate gray target c 3244 3245 > color sel gray target c 3246 3247 > color sel gainsboro target c 3248 3249 > color sel light gray target c 3250 3251 > select clear 3252 3253 > lighting soft 3254 3255 > lighting flat 3256 3257 > select /B 3258 3259 880 atoms, 896 bonds, 66 residues, 1 model selected 3260 3261 > color sel gray target c 3262 3263 > color sel silver target c 3264 3265 > color sel light gray target c 3266 3267 > color sel silver target c 3268 3269 > select clear 3270 3271 > select /B 3272 3273 880 atoms, 896 bonds, 66 residues, 1 model selected 3274 3275 > color sel dark gray target c 3276 3277 > select clear 3278 3279 > volume #1 level 0.205 3280 3281 > save /Users/u6290062/Library/CloudStorage/OneDrive- 3282 > AustralianNationalUniversity/Documents/BIO-SAXS_data/1E4_DENSS_model.cxs 3283 3284 > save /Users/u6290062/Library/CloudStorage/OneDrive- 3285 > AustralianNationalUniversity/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/1E4-SAXS- 3286 > model.png width 867 height 739 supersample 4 transparentBackground true 3287 3288 > hide #!1 models 3289 3290 > select clear 3291 3292 > show atoms 3293 3294 > ui tool show Contacts 3295 3296 > contacts saveFile /Users/u6290062/Downloads/1E4-contacts ignoreHiddenModels 3297 > true select true reveal true 3298 3299 1110 contacts 3300 3301 > close #1 3302 3303 > close #3 3304 3305 > close #2.1 3306 3307 > select clear 3308 3309 > ui tool show Contacts 3310 3311 > select /A 3312 3313 888 atoms, 902 bonds, 68 residues, 1 model selected 3314 3315 > select add #2 3316 3317 1823 atoms, 1798 bonds, 189 residues, 1 model selected 3318 3319 > contacts sel restrict both intraModel false intraMol false 3320 > ignoreHiddenModels true select true reveal true log true 3321 3322 3323 Allowed overlap: -0.4 3324 H-bond overlap reduction: 0.4 3325 Ignore contacts between atoms separated by 4 bonds or less 3326 Detect intra-residue contacts: False 3327 Detect intra-molecule contacts: False 3328 3329 0 contacts 3330 atom1 atom2 overlap distance 3331 3332 3333 3334 No contacts 3335 3336 > select clear 3337 3338 > hide atoms 3339 3340 > select /A-B:40 3341 3342 34 atoms, 34 bonds, 2 residues, 1 model selected 3343 3344 > select /A-B:40 3345 3346 34 atoms, 34 bonds, 2 residues, 1 model selected 3347 3348 > select /A-B:41 3349 3350 28 atoms, 26 bonds, 2 residues, 1 model selected 3351 3352 > select /A-B:41 3353 3354 28 atoms, 26 bonds, 2 residues, 1 model selected 3355 3356 > select /A-B:40 3357 3358 34 atoms, 34 bonds, 2 residues, 1 model selected 3359 3360 > select /A-B:40-41 3361 3362 62 atoms, 62 bonds, 4 residues, 1 model selected 3363 3364 > select /A-B:40-41 3365 3366 62 atoms, 62 bonds, 4 residues, 1 model selected 3367 3368 > select /A-B:40-41 3369 3370 62 atoms, 62 bonds, 4 residues, 1 model selected 3371 3372 > select clear 3373 3374 > select /A-B:40-41 3375 3376 62 atoms, 62 bonds, 4 residues, 1 model selected 3377 3378 > select /A-B:40-41 3379 3380 62 atoms, 62 bonds, 4 residues, 1 model selected 3381 3382 > show sel atoms 3383 3384 > select clear 3385 3386 > select /A-B:46-47 3387 3388 74 atoms, 74 bonds, 4 residues, 1 model selected 3389 3390 > select /A-B:46-50 3391 3392 168 atoms, 172 bonds, 10 residues, 1 model selected 3393 3394 > show sel atoms 3395 3396 > select clear 3397 3398 > select /A-B:60-61 3399 3400 66 atoms, 64 bonds, 4 residues, 1 model selected 3401 3402 > select /A-B:60-62 3403 3404 104 atoms, 102 bonds, 6 residues, 1 model selected 3405 3406 > show sel atoms 3407 3408 > select clear 3409 3410 > select /A 3411 3412 888 atoms, 902 bonds, 68 residues, 1 model selected 3413 3414 > select /B 3415 3416 880 atoms, 896 bonds, 66 residues, 1 model selected 3417 3418 > color sel silver target c 3419 3420 > color sel light gray target c 3421 3422 > color sel silver target ac 3423 3424 > color sel dim gray target ac 3425 3426 > color sel gray target ac 3427 3428 > color sel dark gray target ac 3429 3430 > select clear 3431 3432 > color byhetero 3433 3434 > select clear 3435 3436 > graphics silhouettes false 3437 3438 > graphics silhouettes true 3439 3440 > lighting soft 3441 3442 > graphics silhouettes false 3443 3444 > graphics silhouettes true 3445 3446 > graphics silhouettes false 3447 3448 > graphics silhouettes true 3449 3450 > lighting soft 3451 3452 > lighting shadows true intensity 0.5 3453 3454 > lighting soft 3455 3456 > graphics silhouettes width 1 3457 3458 > select clear 3459 3460 > select ::name="HOH" 3461 3462 55 atoms, 55 residues, 1 model selected 3463 3464 > show sel atoms 3465 3466 > select clear 3467 3468 > select /A-B:60 3469 3470 34 atoms, 32 bonds, 2 residues, 1 model selected 3471 3472 > select /A-B:60-62 3473 3474 104 atoms, 102 bonds, 6 residues, 1 model selected 3475 3476 > select /A-B:61-62 3477 3478 70 atoms, 68 bonds, 4 residues, 1 model selected 3479 3480 > select /A-B:61-62 3481 3482 70 atoms, 68 bonds, 4 residues, 1 model selected 3483 3484 > select clear 3485 3486 > show surfaces 3487 3488 > select clear 3489 3490 > hide surfaces 3491 3492 > select clear 3493 3494 > hide atoms 3495 3496 > select clear 3497 3498 > select /A-B:61-62 3499 3500 70 atoms, 68 bonds, 4 residues, 1 model selected 3501 3502 > select /A-B:61-62 3503 3504 70 atoms, 68 bonds, 4 residues, 1 model selected 3505 3506 > select /A-B:50 3507 3508 40 atoms, 40 bonds, 2 residues, 1 model selected 3509 3510 > select /A-B:50 3511 3512 40 atoms, 40 bonds, 2 residues, 1 model selected 3513 3514 > select /A-B:50,61-62 3515 3516 110 atoms, 108 bonds, 6 residues, 1 model selected 3517 3518 > show sel atoms 3519 3520 > select clear 3521 3522 > show cartoons 3523 3524 > select clear 3525 3526 > hide atoms 3527 3528 > select add /B:21 3529 3530 11 atoms, 10 bonds, 1 residue, 1 model selected 3531 3532 > setattr #2:19-21 res ss_type ) 3533 3534 Assigning ss_type attribute to 8 items 3535 Cannot set attribute 'ss_type' to ')' 3536 3537 > setattr #2:19-21 res ss_type 0 3538 3539 Assigning ss_type attribute to 8 items 3540 3541 > select clear 3542 3543 > show surfaces 3544 3545 > select clear 3546 3547 > transparency 50 3548 3549 > select clear 3550 3551 > transparency 70 3552 3553 > select clear 3554 3555 > save 3556 > /Users/u6290062/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/1E4-dimer- 3557 > crescent.png width 791 height 739 supersample 4 transparentBackground true 3558 3559 > select clear 3560 3561 > transparency 0 3562 3563 > select clear 3564 3565 > transparency 70 3566 3567 > select clear 3568 3569 > save 3570 > /Users/u6290062/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/1E4-dimer- 3571 > core.png width 791 height 739 supersample 4 transparentBackground true 3572 3573 > select clear 3574 3575 > transparency 0 3576 3577 > transparency 50 3578 3579 > select /A-B:61-62 3580 3581 70 atoms, 68 bonds, 4 residues, 1 model selected 3582 3583 > select /A-B:61-62 3584 3585 70 atoms, 68 bonds, 4 residues, 1 model selected 3586 3587 > select clear 3588 3589 > transparency 70 3590 3591 > select clear 3592 3593 > save 3594 > /Users/u6290062/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/1E4-dimer- 3595 > hydrophobic.png width 791 height 739 supersample 4 transparentBackground 3596 > true 3597 3598 > select clear 3599 3600 > select /A-B:41 3601 3602 28 atoms, 26 bonds, 2 residues, 1 model selected 3603 3604 > select /A-B:41 3605 3606 28 atoms, 26 bonds, 2 residues, 1 model selected 3607 3608 > select /A-B:35,41 3609 3610 62 atoms, 58 bonds, 4 residues, 1 model selected 3611 3612 > select /A-B:35,41 3613 3614 62 atoms, 58 bonds, 4 residues, 1 model selected 3615 3616 > select clear 3617 3618 > select /A-B:41 3619 3620 28 atoms, 26 bonds, 2 residues, 1 model selected 3621 3622 > select /A-B:41 3623 3624 28 atoms, 26 bonds, 2 residues, 1 model selected 3625 3626 > show sel atoms 3627 3628 > select clear 3629 3630 > select /A-B:47 3631 3632 34 atoms, 32 bonds, 2 residues, 1 model selected 3633 3634 > select /A-B:47 3635 3636 34 atoms, 32 bonds, 2 residues, 1 model selected 3637 3638 > show sel atoms 3639 3640 > select clear 3641 3642 > ui tool show Distances 3643 3644 > select /B:41@CG2 3645 3646 1 atom, 1 residue, 1 model selected 3647 3648 > select clear 3649 3650 > hide surfaces 3651 3652 > select /B:41@OG1 3653 3654 1 atom, 1 residue, 1 model selected 3655 3656 > select add /B:47@NE2 3657 3658 2 atoms, 2 residues, 2 models selected 3659 3660 > distance /B:41@OG1 /B:47@NE2 3661 3662 Distance between /B THR 41 OG1 and GLN 47 NE2: 4.764Å 3663 3664 > select clear 3665 3666 > hide #1.1 models 3667 3668 > select clear 3669 3670 > select /B:47@OE1 3671 3672 1 atom, 1 residue, 1 model selected 3673 3674 > select add /B:41@HG1 3675 3676 2 atoms, 2 residues, 2 models selected 3677 3678 > distance /B:47@OE1 /B:41@HG1 3679 3680 Distance between /B GLN 47 OE1 and THR 41 HG1: 5.427Å 3681 3682 > select clear 3683 3684 > select /A:41@OG1 3685 3686 1 atom, 1 residue, 1 model selected 3687 Drag select of 1 atoms 3688 3689 > select /A:41@OG1 3690 3691 1 atom, 1 residue, 1 model selected 3692 3693 > select add /A:47@NE2 3694 3695 2 atoms, 2 residues, 2 models selected 3696 3697 > distance /A:41@OG1 /A:47@NE2 3698 3699 Distance between /A THR 41 OG1 and GLN 47 NE2: 4.772Å 3700 3701 > select clear 3702 3703 > hide #!1 models 3704 3705 > select /A-B:47 3706 3707 34 atoms, 32 bonds, 2 residues, 1 model selected 3708 3709 > select /A-B:47 3710 3711 34 atoms, 32 bonds, 2 residues, 1 model selected 3712 3713 > select /A-B:28-33,36-41,56-60,64-68 3714 3715 606 atoms, 608 bonds, 44 residues, 1 model selected 3716 3717 > select /A-B:41 3718 3719 28 atoms, 26 bonds, 2 residues, 1 model selected 3720 3721 > select /A-B:41 3722 3723 28 atoms, 26 bonds, 2 residues, 1 model selected 3724 3725 > hbonds sel reveal true 3726 3727 9 hydrogen bonds found 3728 3729 > select add /A:48 3730 3731 48 atoms, 46 bonds, 3 residues, 3 models selected 3732 3733 > show sel atoms 3734 3735 > select clear 3736 3737 > select /A-B:47 3738 3739 34 atoms, 32 bonds, 2 residues, 1 model selected 3740 3741 > select /A-B:47 3742 3743 34 atoms, 32 bonds, 2 residues, 1 model selected 3744 3745 > hbonds sel reveal true 3746 3747 10 hydrogen bonds found 3748 3749 > select /A:27 3750 3751 7 atoms, 6 bonds, 1 residue, 1 model selected 3752 3753 > show sel atoms 3754 3755 > select clear 3756 3757 > select /A-B:41 3758 3759 28 atoms, 26 bonds, 2 residues, 1 model selected 3760 3761 > select /A-B:41 3762 3763 28 atoms, 26 bonds, 2 residues, 1 model selected 3764 3765 > hbonds sel reveal true 3766 3767 9 hydrogen bonds found 3768 3769 > select clear 3770 3771 > select /A:48 3772 3773 20 atoms, 20 bonds, 1 residue, 1 model selected 3774 3775 > hide sel cartoons 3776 3777 > hide atoms 3778 3779 > show atoms 3780 3781 > select clear 3782 3783 > hide atoms 3784 3785 > select clear 3786 3787 > ~hbonds 3788 3789 > select clear 3790 3791 > select /A-B:46-47 3792 3793 74 atoms, 74 bonds, 4 residues, 1 model selected 3794 3795 > select /A-B:46-48 3796 3797 114 atoms, 116 bonds, 6 residues, 1 model selected 3798 3799 > select /A-B:44-45 3800 3801 48 atoms, 48 bonds, 4 residues, 1 model selected 3802 3803 > select /A-B:44-48 3804 3805 162 atoms, 166 bonds, 10 residues, 1 model selected 3806 3807 > show sel cartoons 3808 3809 > select clear 3810 3811 > show surfaces 3812 3813 > select clear 3814 3815 > select /A-B:61-62 3816 3817 70 atoms, 68 bonds, 4 residues, 1 model selected 3818 3819 > select /A-B:61-62 3820 3821 70 atoms, 68 bonds, 4 residues, 1 model selected 3822 3823 > show sel atoms 3824 3825 > select clear 3826 3827 > select /A-B:50 3828 3829 40 atoms, 40 bonds, 2 residues, 1 model selected 3830 3831 > select /A-B:50 3832 3833 40 atoms, 40 bonds, 2 residues, 1 model selected 3834 3835 > show sel atoms 3836 3837 > select clear 3838 3839 > transparency #2 70 3840 3841 > transparency #2 90 3842 3843 > transparency #2 80 3844 3845 > select clear 3846 3847 > save 3848 > /Users/u6290062/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/1E4-dimer- 3849 > hydrophobic.png width 791 height 739 supersample 4 transparentBackground 3850 > true 3851 3852 > save 3853 > /Users/u6290062/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/Fig_4_poses.cxs 3854 > includeMaps true 3855 3856 > close #2 3857 3858 > close 3859 3860 > open /Users/u6290062/Library/CloudStorage/OneDrive- 3861 > AustralianNationalUniversity/Documents/Figures/stb6.pdb 3862 3863 Chain information for stb6.pdb #1 3864 --- 3865 Chain | Description 3866 A | No description available 3867 3868 3869 > select ::name="MAN" 3870 3871 11 atoms, 11 bonds, 1 residue, 1 model selected 3872 3873 > delete atoms sel 3874 3875 > delete bonds sel 3876 3877 > select ::name="NAG" 3878 3879 56 atoms, 57 bonds, 4 residues, 1 model selected 3880 3881 > delete atoms sel 3882 3883 > delete bonds sel 3884 3885 > select clear 3886 3887 > save /Users/u6290062/Library/CloudStorage/OneDrive- 3888 > AustralianNationalUniversity/Documents/Figures/stb6-NG.pdb displayedOnly 3889 > true relModel #1 3890 3891 > save /Users/u6290062/Library/CloudStorage/OneDrive- 3892 > AustralianNationalUniversity/Documents/Figures/stb6-NG.pdb displayedOnly 3893 > true 3894 3895 > close 3896 3897 > open /Users/u6290062/Library/CloudStorage/OneDrive- 3898 > AustralianNationalUniversity/Documents/BIO- 3899 > SAXS_data/AvrStb6_dimer_refine_027.pdb format pdb 3900 3901 Chain information for AvrStb6_dimer_refine_027.pdb #1 3902 --- 3903 Chain | Description 3904 A B | No description available 3905 3906 Computing secondary structure 3907 3908 > open /Users/u6290062/Library/CloudStorage/OneDrive- 3909 > AustralianNationalUniversity/Documents/BIO- 3910 > SAXS_data/AvrStb6_monomer_refine_029.pdb 3911 3912 Chain information for AvrStb6_monomer_refine_029.pdb #2 3913 --- 3914 Chain | Description 3915 A | No description available 3916 3917 Computing secondary structure 3918 3919 > select clear 3920 3921 > lighting soft 3922 3923 > ui tool show Matchmaker 3924 3925 > matchmaker #2 to #1 3926 3927 Parameters 3928 --- 3929 Chain pairing | bb 3930 Alignment algorithm | Needleman-Wunsch 3931 Similarity matrix | BLOSUM-62 3932 SS fraction | 0.3 3933 Gap open (HH/SS/other) | 18/18/6 3934 Gap extend | 1 3935 SS matrix | | | H | S | O 3936 ---|---|---|--- 3937 H | 6 | -9 | -6 3938 S | | 6 | -6 3939 O | | | 4 3940 Iteration cutoff | 2 3941 3942 Matchmaker AvrStb6_dimer_refine_027.pdb, chain A (#1) with 3943 AvrStb6_monomer_refine_029.pdb, chain A (#2), sequence alignment score = 363.9 3944 RMSD between 57 pruned atom pairs is 0.767 angstroms; (across all 64 pairs: 3945 1.655) 3946 3947 3948 > select clear 3949 3950 > hide atoms 3951 3952 > select clear 3953 3954 > select #1/B 3955 3956 880 atoms, 896 bonds, 66 residues, 1 model selected 3957 3958 > hide sel cartoons 3959 3960 > select clear 3961 3962 > select add #1/A:19 3963 3964 7 atoms, 6 bonds, 1 residue, 1 model selected 3965 3966 > select add #2/A:14 3967 3968 14 atoms, 12 bonds, 2 residues, 2 models selected 3969 Alignment identifier is 1/A 3970 Alignment identifier is 2/A 3971 3972 > select clear 3973 3974 > select #1/A:19 3975 3976 7 atoms, 6 bonds, 1 residue, 1 model selected 3977 3978 > select add #1/A:21 3979 3980 18 atoms, 16 bonds, 2 residues, 1 model selected 3981 3982 > select clear 3983 3984 > setattr #2:19-21 res ss_type 0 3985 3986 Assigning ss_type attribute to 3 items 3987 3988 > setattr #2:19-21 res ss_type 0 3989 3990 Assigning ss_type attribute to 3 items 3991 3992 > setattr #1:19-21 res ss_type 0 3993 3994 Assigning ss_type attribute to 8 items 3995 3996 > setattr #2:14-16 res ss_type 0 3997 3998 Assigning ss_type attribute to 4 items 3999 4000 > select clear 4001 4002 > select #1/A:32 4003 4004 17 atoms, 16 bonds, 1 residue, 1 model selected 4005 4006 > select #1/A:33 4007 4008 12 atoms, 11 bonds, 1 residue, 1 model selected 4009 4010 > select add #1/A:36 4011 4012 33 atoms, 32 bonds, 2 residues, 1 model selected 4013 4014 > select clear 4015 4016 > select #1/A:37 4017 4018 14 atoms, 14 bonds, 1 residue, 1 model selected 4019 4020 > select add #1/A:36 4021 4022 35 atoms, 35 bonds, 2 residues, 1 model selected 4023 4024 > select add #1/A:35 4025 4026 52 atoms, 51 bonds, 3 residues, 1 model selected 4027 4028 > select add #1/A:34 4029 4030 59 atoms, 57 bonds, 4 residues, 1 model selected 4031 4032 > select add #1/A:33 4033 4034 71 atoms, 68 bonds, 5 residues, 1 model selected 4035 4036 > select add #1/A:32 4037 4038 88 atoms, 84 bonds, 6 residues, 1 model selected 4039 4040 > show sel atoms 4041 4042 > select clear 4043 4044 > select add #2/A:32 4045 4046 14 atoms, 14 bonds, 1 residue, 1 model selected 4047 4048 > select add #2/A:31 4049 4050 35 atoms, 35 bonds, 2 residues, 1 model selected 4051 4052 > select add #2/A:30 4053 4054 52 atoms, 51 bonds, 3 residues, 1 model selected 4055 4056 > select add #2/A:29 4057 4058 59 atoms, 57 bonds, 4 residues, 1 model selected 4059 4060 > select add #2/A:28 4061 4062 71 atoms, 68 bonds, 5 residues, 1 model selected 4063 4064 > select add #2/A:27 4065 4066 88 atoms, 84 bonds, 6 residues, 1 model selected 4067 4068 > show sel atoms 4069 4070 > select clear 4071 4072 > select #2/A:32 4073 4074 14 atoms, 14 bonds, 1 residue, 1 model selected 4075 4076 > select #2/A:32 4077 4078 14 atoms, 14 bonds, 1 residue, 1 model selected 4079 4080 > select #2/A:32-36 4081 4082 79 atoms, 80 bonds, 5 residues, 1 model selected 4083 4084 > select #2/A:28-29 4085 4086 19 atoms, 18 bonds, 2 residues, 1 model selected 4087 4088 > select #2/A:28-32 4089 4090 71 atoms, 72 bonds, 5 residues, 1 model selected 4091 4092 > select #2/A:23-27,32-36,51-55,59-63 4093 4094 271 atoms, 270 bonds, 20 residues, 1 model selected 4095 4096 > select #2/A:28-29 4097 4098 19 atoms, 18 bonds, 2 residues, 1 model selected 4099 4100 > select #2/A:28-33 4101 4102 95 atoms, 96 bonds, 6 residues, 1 model selected 4103 4104 > select clear 4105 4106 > select #1/A:26 4107 4108 14 atoms, 14 bonds, 1 residue, 1 model selected 4109 4110 > select #1/A:26-29 4111 4112 47 atoms, 47 bonds, 4 residues, 1 model selected 4113 4114 > select add #2/A:32 4115 4116 61 atoms, 61 bonds, 5 residues, 2 models selected 4117 4118 > select clear 4119 4120 > select #1/A:20-21 4121 4122 23 atoms, 22 bonds, 2 residues, 1 model selected 4123 4124 > select #1/A:20-26 4125 4126 92 atoms, 93 bonds, 7 residues, 1 model selected 4127 4128 > select clear 4129 4130 > select #1/A:26-27 4131 4132 21 atoms, 21 bonds, 2 residues, 1 model selected 4133 4134 > select #1/A:26-29 4135 4136 47 atoms, 47 bonds, 4 residues, 1 model selected 4137 4138 > select clear 4139 4140 > select #1/A:33 4141 4142 12 atoms, 11 bonds, 1 residue, 1 model selected 4143 4144 > select #1/A:26 4145 4146 14 atoms, 14 bonds, 1 residue, 1 model selected 4147 4148 > select #1/A:26-33 4149 4150 106 atoms, 107 bonds, 8 residues, 1 model selected 4151 4152 > select clear 4153 4154 > select #1/A:33 4155 4156 12 atoms, 11 bonds, 1 residue, 1 model selected 4157 4158 > select #1/A:33-37 4159 4160 71 atoms, 72 bonds, 5 residues, 1 model selected 4161 4162 > select clear 4163 4164 > select #1/A:38-39 4165 4166 34 atoms, 33 bonds, 2 residues, 1 model selected 4167 4168 > select #1/A:38-39 4169 4170 34 atoms, 33 bonds, 2 residues, 1 model selected 4171 4172 > select clear 4173 4174 > select #1/A:28 4175 4176 14 atoms, 13 bonds, 1 residue, 1 model selected 4177 4178 > select #1/A:28 4179 4180 14 atoms, 13 bonds, 1 residue, 1 model selected 4181 4182 > select clear 4183 4184 > select #1/A:32 4185 4186 17 atoms, 16 bonds, 1 residue, 1 model selected 4187 4188 > select #1/A:32 4189 4190 17 atoms, 16 bonds, 1 residue, 1 model selected 4191 4192 > show sel atoms 4193 4194 > select clear 4195 4196 > select #2/A:27 4197 4198 17 atoms, 16 bonds, 1 residue, 1 model selected 4199 4200 > select #2/A:27 4201 4202 17 atoms, 16 bonds, 1 residue, 1 model selected 4203 4204 > show sel atoms 4205 4206 > select clear 4207 4208 > select #1/A:32-33 4209 4210 29 atoms, 28 bonds, 2 residues, 1 model selected 4211 4212 > select #1/A:32-37 4213 4214 88 atoms, 89 bonds, 6 residues, 1 model selected 4215 4216 > hide sel cartoons 4217 4218 > select clear 4219 4220 > select #2/A:27-28 4221 4222 29 atoms, 28 bonds, 2 residues, 1 model selected 4223 4224 > select #2/A:27-32 4225 4226 88 atoms, 89 bonds, 6 residues, 1 model selected 4227 4228 > hide sel cartoons 4229 4230 > select clear 4231 4232 > select #1/A:37 4233 4234 14 atoms, 14 bonds, 1 residue, 1 model selected 4235 4236 > select #1/A:37 4237 4238 14 atoms, 14 bonds, 1 residue, 1 model selected 4239 4240 > select #2/A:33 4241 4242 24 atoms, 23 bonds, 1 residue, 1 model selected 4243 4244 > show sel atoms 4245 4246 > select add #1/A:38 4247 4248 48 atoms, 46 bonds, 2 residues, 2 models selected 4249 4250 > show sel atoms 4251 4252 > hide sel cartoons 4253 4254 > select clear 4255 4256 > show cartoons 4257 4258 > hide atoms 4259 4260 > select clear 4261 4262 > select #1/B 4263 4264 880 atoms, 896 bonds, 66 residues, 1 model selected 4265 4266 > hide sel cartoons 4267 4268 > select clear 4269 4270 > select ::name="CYS" 4271 4272 360 atoms, 339 bonds, 36 residues, 2 models selected 4273 4274 > show sel atoms 4275 4276 > select clear 4277 4278 > select #1/B 4279 4280 880 atoms, 896 bonds, 66 residues, 1 model selected 4281 4282 > hide sel cartoons 4283 4284 > hide sel atoms 4285 4286 > select clear 4287 4288 > select add #1/A:38 4289 4290 24 atoms, 23 bonds, 1 residue, 1 model selected 4291 4292 > select add #1/A:37 4293 4294 38 atoms, 37 bonds, 2 residues, 1 model selected 4295 4296 > select #1/A:33 4297 4298 12 atoms, 11 bonds, 1 residue, 1 model selected 4299 4300 > select #1/A:33-42 4301 4302 146 atoms, 148 bonds, 10 residues, 1 model selected 4303 4304 > show sel atoms 4305 4306 > select clear 4307 4308 > select #2/A:28 4309 4310 12 atoms, 11 bonds, 1 residue, 1 model selected 4311 4312 > select #2/A:28-37 4313 4314 146 atoms, 148 bonds, 10 residues, 1 model selected 4315 4316 > show sel atoms 4317 4318 > select clear 4319 4320 > select #1/A:31 4321 4322 20 atoms, 20 bonds, 1 residue, 1 model selected 4323 4324 > select #1/A:31-32 4325 4326 37 atoms, 37 bonds, 2 residues, 1 model selected 4327 4328 > show sel atoms 4329 4330 > select #2/A:26-27 4331 4332 37 atoms, 37 bonds, 2 residues, 1 model selected 4333 4334 > select #2/A:26-27 4335 4336 37 atoms, 37 bonds, 2 residues, 1 model selected 4337 4338 > show sel atoms 4339 4340 > select clear 4341 4342 > hide atoms 4343 4344 > close #1 4345 4346 > close 4347 4348 > open 4349 > /Users/u6290062/Downloads/ZmWAKLYecto_58d61_0/ZmWAKLYecto_58d61_0_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb 4350 4351 Chain information for 4352 ZmWAKLYecto_58d61_0_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #1 4353 --- 4354 Chain | Description 4355 A | No description available 4356 4357 Computing secondary structure 4358 4359 > lighting soft 4360 4361 > open /Users/u6290062/Library/CloudStorage/OneDrive- 4362 > AustralianNationalUniversity/Documents/Figures/stb6.pdb 4363 4364 Chain information for stb6.pdb #2 4365 --- 4366 Chain | Description 4367 A | No description available 4368 4369 4370 > close #2 4371 4372 > open /Users/u6290062/Library/CloudStorage/OneDrive- 4373 > AustralianNationalUniversity/Documents/Figures/stb6-NG.pdb 4374 4375 Summary of feedback from opening 4376 /Users/u6290062/Library/CloudStorage/OneDrive- 4377 AustralianNationalUniversity/Documents/Figures/stb6-NG.pdb 4378 --- 4379 warnings | Start residue of secondary structure not found: HELIX 1 1 LEU A 80 LEU A 85 1 6 4380 End residue of secondary structure not found: HELIX 2 2 GLU A 126 LEU A 134 1 4381 9 4382 Start residue of secondary structure not found: SHEET 1 1 1 PHE A 22 LEU A 24 4383 0 4384 Start residue of secondary structure not found: SHEET 2 2 1 PHE A 41 LEU A 43 4385 0 4386 Start residue of secondary structure not found: SHEET 3 3 1 THR A 44 TYR A 46 4387 0 4388 Start residue of secondary structure not found: SHEET 4 4 1 TYR A 50 LEU A 53 4389 0 4390 Start residue of secondary structure not found: SHEET 5 5 1 PHE A 63 SER A 69 4391 0 4392 5 messages similar to the above omitted 4393 Cannot find LINK/SSBOND residue CYS (9 ) 4394 Cannot find LINK/SSBOND residue CYS (13 ) 4395 Cannot find LINK/SSBOND residue CYS (96 ) 4396 Cannot find LINK/SSBOND residue CYS (124 ) 4397 4398 Chain information for stb6-NG.pdb #2 4399 --- 4400 Chain | Description 4401 A | No description available 4402 4403 Computing secondary structure 4404 4405 > close #2 4406 4407 > open /Users/u6290062/Library/CloudStorage/OneDrive- 4408 > AustralianNationalUniversity/Documents/Figures/stb6.pdb 4409 4410 Chain information for stb6.pdb #2 4411 --- 4412 Chain | Description 4413 A | No description available 4414 4415 4416 > select clear 4417 4418 > hide cartoons 4419 4420 > show cartoons 4421 4422 > hide atoms 4423 4424 > select clear 4425 4426 > ui tool show Matchmaker 4427 4428 > matchmaker #2 to #1 4429 4430 Parameters 4431 --- 4432 Chain pairing | bb 4433 Alignment algorithm | Needleman-Wunsch 4434 Similarity matrix | BLOSUM-62 4435 SS fraction | 0.3 4436 Gap open (HH/SS/other) | 18/18/6 4437 Gap extend | 1 4438 SS matrix | | | H | S | O 4439 ---|---|---|--- 4440 H | 6 | -9 | -6 4441 S | | 6 | -6 4442 O | | | 4 4443 Iteration cutoff | 2 4444 4445 Matchmaker 4446 ZmWAKLYecto_58d61_0_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb, 4447 chain A (#1) with stb6.pdb, chain A (#2), sequence alignment score = 193.8 4448 RMSD between 50 pruned atom pairs is 1.179 angstroms; (across all 172 pairs: 4449 6.786) 4450 4451 4452 > select add #1/A:35 4453 4454 9 atoms, 8 bonds, 1 residue, 1 model selected 4455 4456 > select add #1/A:36 4457 4458 15 atoms, 13 bonds, 2 residues, 1 model selected 4459 4460 > select add #1/A:37 4461 4462 27 atoms, 25 bonds, 3 residues, 1 model selected 4463 4464 > setattr #1:35-36 res ss_type 0 4465 4466 Assigning ss_type attribute to 2 items 4467 4468 > select clear 4469 4470 Alignment identifier is 1/A 4471 Alignment identifier is 2/A 4472 4473 > select #2/A:43 4474 4475 8 atoms, 7 bonds, 1 residue, 1 model selected 4476 4477 > select add #2/A:42 4478 4479 17 atoms, 15 bonds, 2 residues, 1 model selected 4480 4481 > select add #2/A:41 4482 4483 28 atoms, 26 bonds, 3 residues, 1 model selected 4484 4485 > select clear 4486 4487 > select #1/A:37-38 4488 4489 21 atoms, 21 bonds, 2 residues, 1 model selected 4490 4491 > select #1/A:37-39 4492 4493 29 atoms, 29 bonds, 3 residues, 1 model selected 4494 4495 > setattr #1:37-39 res ss_type 2 4496 4497 Assigning ss_type attribute to 3 items 4498 4499 > select #1/A:36 4500 4501 6 atoms, 5 bonds, 1 residue, 1 model selected 4502 4503 > select #1/A:36 4504 4505 6 atoms, 5 bonds, 1 residue, 1 model selected 4506 4507 > setattr #1:36-39 res ss_type 2 4508 4509 Assigning ss_type attribute to 4 items 4510 4511 > select clear 4512 4513 > setattr #1:36-39 res ss_type 2 4514 4515 Assigning ss_type attribute to 4 items 4516 4517 > setattr #1:35-39 res ss_type 2 4518 4519 Assigning ss_type attribute to 5 items 4520 4521 > select add #1/A:23 4522 4523 11 atoms, 11 bonds, 1 residue, 1 model selected 4524 4525 > select add #1/A:26 4526 4527 20 atoms, 19 bonds, 2 residues, 1 model selected 4528 4529 > select clear 4530 4531 > setattr #1:23-26 res ss_type 2 4532 4533 Assigning ss_type attribute to 4 items 4534 4535 > select #1/A:3 4536 4537 10 atoms, 10 bonds, 1 residue, 1 model selected 4538 4539 > select #1/A:1-3 4540 4541 31 atoms, 32 bonds, 3 residues, 1 model selected 4542 4543 > hide sel cartoons 4544 4545 > select clear 4546 4547 > select ::name="CYS" 4548 4549 96 atoms, 84 bonds, 16 residues, 2 models selected 4550 4551 > show sel atoms 4552 4553 > select clear 4554 4555 > bond sel 4556 4557 Must specify two or more atoms 4558 4559 > select clear 4560 4561 > select add #1/A:7@SG 4562 4563 1 atom, 1 residue, 1 model selected 4564 4565 > select add #1/A:32@SG 4566 4567 2 atoms, 1 bond, 2 residues, 1 model selected 4568 4569 > bond sel 4570 4571 Created 1 bond 4572 4573 > select clear 4574 4575 > select add #1/A:13@SG 4576 4577 1 atom, 1 residue, 1 model selected 4578 4579 > select add #1/A:41@SG 4580 4581 2 atoms, 2 residues, 1 model selected 4582 4583 > bond sel 4584 4585 Created 1 bond 4586 4587 > select clear 4588 4589 > select add #1/A:120@SG 4590 4591 1 atom, 1 residue, 1 model selected 4592 4593 > select add #1/A:162@SG 4594 4595 2 atoms, 2 residues, 1 model selected 4596 4597 > bond sel 4598 4599 Created 1 bond 4600 4601 > select add #1/A:80@SG 4602 4603 3 atoms, 3 residues, 1 model selected 4604 4605 > select add #1/A:135@SG 4606 4607 4 atoms, 4 residues, 1 model selected 4608 4609 > bond sel 4610 4611 Created 1 bond 4612 4613 > select clear 4614 4615 > hide #2 models 4616 4617 > select #1/A:206 4618 4619 4 atoms, 3 bonds, 1 residue, 1 model selected 4620 4621 > select add #1/A:205 4622 4623 15 atoms, 13 bonds, 2 residues, 1 model selected 4624 4625 > select add #1/A:204 4626 4627 23 atoms, 20 bonds, 3 residues, 1 model selected 4628 4629 > hide sel cartoons 4630 4631 > select clear 4632 4633 > select add #1/A:203 4634 4635 4 atoms, 3 bonds, 1 residue, 1 model selected 4636 4637 > select add #1/A:172 4638 4639 8 atoms, 6 bonds, 2 residues, 1 model selected 4640 4641 > select #1/A:172 4642 4643 4 atoms, 3 bonds, 1 residue, 1 model selected 4644 4645 > select #1/A:172-202 4646 4647 235 atoms, 242 bonds, 31 residues, 1 model selected 4648 4649 > select #1/A:205 4650 4651 11 atoms, 10 bonds, 1 residue, 1 model selected 4652 4653 > select #1/A:205-206 4654 4655 15 atoms, 14 bonds, 2 residues, 1 model selected 4656 4657 > hide sel cartoons 4658 4659 > select 4660 > #1/A:23-26,35-41,46-50,53-61,66-71,113-120,130-132,141-148,162-170,194-197 4661 4662 535 atoms, 543 bonds, 63 residues, 1 model selected 4663 4664 > select #1/A:205 4665 4666 11 atoms, 10 bonds, 1 residue, 1 model selected 4667 4668 > select #1/A:205-206 4669 4670 15 atoms, 14 bonds, 2 residues, 1 model selected 4671 4672 > select clear 4673 4674 > select add #1/A:203 4675 4676 4 atoms, 3 bonds, 1 residue, 1 model selected 4677 4678 > select add #1/A:202 4679 4680 12 atoms, 10 bonds, 2 residues, 1 model selected 4681 4682 > select #1/A:185-186 4683 4684 15 atoms, 14 bonds, 2 residues, 1 model selected 4685 4686 > select #1/A:185-206 4687 4688 169 atoms, 171 bonds, 22 residues, 1 model selected 4689 4690 > select add #1/A:171 4691 4692 173 atoms, 174 bonds, 23 residues, 1 model selected 4693 4694 > select subtract #1/A:171 4695 4696 169 atoms, 171 bonds, 22 residues, 1 model selected 4697 4698 > select add #1/A:172 4699 4700 173 atoms, 174 bonds, 23 residues, 1 model selected 4701 4702 > select #1/A:173-174 4703 4704 11 atoms, 11 bonds, 2 residues, 1 model selected 4705 4706 > select #1/A:173-186 4707 4708 104 atoms, 108 bonds, 14 residues, 1 model selected 4709 4710 > select #1/A:172-173 4711 4712 11 atoms, 11 bonds, 2 residues, 1 model selected 4713 4714 > select #1/A:172-206 4715 4716 262 atoms, 269 bonds, 35 residues, 1 model selected 4717 4718 > color sel forest green target c 4719 4720 > select clear 4721 4722 > select #1/A:154 4723 4724 8 atoms, 7 bonds, 1 residue, 1 model selected 4725 4726 > select add #1/A:155 4727 4728 13 atoms, 11 bonds, 2 residues, 1 model selected 4729 4730 > select add #1/A:156 4731 4732 22 atoms, 19 bonds, 3 residues, 1 model selected 4733 4734 > setattr #1:154-156 res ss_type 0 4735 4736 Assigning ss_type attribute to 3 items 4737 4738 > select clear 4739 4740 > select add #1/A:71 4741 4742 8 atoms, 7 bonds, 1 residue, 1 model selected 4743 4744 > select #1/A:1-2 4745 4746 21 atoms, 21 bonds, 2 residues, 1 model selected 4747 4748 > select #1/A:1-71 4749 4750 560 atoms, 581 bonds, 71 residues, 1 model selected 4751 4752 > color sel dark sea green target ac 4753 4754 > color sel light green target ac 4755 4756 > color sel dark sea green target ac 4757 4758 > select clear 4759 4760 > select add #1/A:113 4761 4762 8 atoms, 7 bonds, 1 residue, 1 model selected 4763 4764 > select add #1/A:110 4765 4766 15 atoms, 14 bonds, 2 residues, 1 model selected 4767 4768 > select add #1/A:112 4769 4770 21 atoms, 19 bonds, 3 residues, 1 model selected 4771 4772 > select add #1/A:111 4773 4774 29 atoms, 26 bonds, 4 residues, 1 model selected 4775 4776 > select subtract #1/A:113 4777 4778 21 atoms, 19 bonds, 3 residues, 1 model selected 4779 4780 > select #1/A:72-73 4781 4782 13 atoms, 12 bonds, 2 residues, 1 model selected 4783 4784 > select #1/A:73-112 4785 4786 343 atoms, 357 bonds, 40 residues, 1 model selected 4787 4788 > color sel light gray target ac 4789 4790 > select clear 4791 4792 > select add #1/A:72 4793 4794 5 atoms, 4 bonds, 1 residue, 1 model selected 4795 4796 > color sel light gray target ac 4797 4798 > select clear 4799 4800 > select add #1/A:171 4801 4802 4 atoms, 3 bonds, 1 residue, 1 model selected 4803 4804 > select #1/A:113 4805 4806 8 atoms, 7 bonds, 1 residue, 1 model selected 4807 4808 > select #1/A:113-171 4809 4810 465 atoms, 479 bonds, 59 residues, 1 model selected 4811 4812 > color sel burly wood target ac 4813 4814 > color sel wheat target ac 4815 4816 > color sel goldenrod target ac 4817 4818 > color sel dark khaki target ac 4819 4820 > select clear 4821 4822 > select add #1/A:122 4823 4824 9 atoms, 8 bonds, 1 residue, 1 model selected 4825 4826 > select add #1/A:123 4827 4828 16 atoms, 15 bonds, 2 residues, 1 model selected 4829 4830 > select add #1/A:124 4831 4832 24 atoms, 22 bonds, 3 residues, 1 model selected 4833 4834 > select add #1/A:125 4835 4836 33 atoms, 30 bonds, 4 residues, 1 model selected 4837 4838 > select add #1/A:126 4839 4840 41 atoms, 37 bonds, 5 residues, 1 model selected 4841 4842 > select add #1/A:127 4843 4844 49 atoms, 44 bonds, 6 residues, 1 model selected 4845 4846 > select add #1/A:121 4847 4848 55 atoms, 49 bonds, 7 residues, 1 model selected 4849 4850 > setattr #1:121-127 res ss_type 1 4851 4852 Assigning ss_type attribute to 7 items 4853 4854 > select clear 4855 4856 > setattr #1:121-127 res ss_type 0 4857 4858 Assigning ss_type attribute to 7 items 4859 4860 > select ::name="CYS" 4861 4862 96 atoms, 88 bonds, 16 residues, 2 models selected 4863 4864 > color (#1 & sel) byhetero 4865 4866 > select clear 4867 4868 > select #1/A:4-5 4869 4870 20 atoms, 21 bonds, 2 residues, 1 model selected 4871 4872 > select #1/A:4-5 4873 4874 20 atoms, 21 bonds, 2 residues, 1 model selected 4875 4876 > select #1/A:5 4877 4878 10 atoms, 10 bonds, 1 residue, 1 model selected 4879 4880 > select #1/A:5-6 4881 4882 17 atoms, 17 bonds, 2 residues, 1 model selected 4883 4884 > select #1/A:4 4885 4886 10 atoms, 10 bonds, 1 residue, 1 model selected 4887 4888 > select #1/A:4-6 4889 4890 27 atoms, 28 bonds, 3 residues, 1 model selected 4891 4892 > select #1/A:5 4893 4894 10 atoms, 10 bonds, 1 residue, 1 model selected 4895 4896 > select #1/A:4-5 4897 4898 20 atoms, 21 bonds, 2 residues, 1 model selected 4899 4900 > hide sel cartoons 4901 4902 > select clear 4903 4904 > lighting soft 4905 4906 > select ::name="ASN" 4907 4908 168 atoms, 149 bonds, 21 residues, 2 models selected 4909 4910 > select clear 4911 4912 > select add #1/A:138 4913 4914 8 atoms, 7 bonds, 1 residue, 1 model selected 4915 4916 > select add #1/A:119 4917 4918 16 atoms, 14 bonds, 2 residues, 1 model selected 4919 4920 > select add #1/A:95 4921 4922 24 atoms, 21 bonds, 3 residues, 1 model selected 4923 4924 > show sel atoms 4925 4926 > color sel byhetero 4927 4928 > select clear 4929 4930 > select #1/A:72 4931 4932 5 atoms, 4 bonds, 1 residue, 1 model selected 4933 4934 > select add #1/A:111 4935 4936 13 atoms, 11 bonds, 2 residues, 1 model selected 4937 4938 > select add #1/A:112 4939 4940 19 atoms, 16 bonds, 3 residues, 1 model selected 4941 4942 > select #1/A:72-73 4943 4944 13 atoms, 12 bonds, 2 residues, 1 model selected 4945 4946 > select #1/A:73-113 4947 4948 351 atoms, 365 bonds, 41 residues, 1 model selected 4949 4950 > select #1/A:112 4951 4952 6 atoms, 5 bonds, 1 residue, 1 model selected 4953 4954 > select #1/A:111-112 4955 4956 14 atoms, 13 bonds, 2 residues, 1 model selected 4957 4958 > select #1/A:72 4959 4960 5 atoms, 4 bonds, 1 residue, 1 model selected 4961 4962 > select #1/A:72-112 4963 4964 348 atoms, 362 bonds, 41 residues, 1 model selected 4965 4966 > color sel honeydew target ac 4967 4968 > color sel white smoke target ac 4969 4970 > select clear 4971 4972 > select #1/A:72 4973 4974 5 atoms, 4 bonds, 1 residue, 1 model selected 4975 4976 > select #1/A:72-112 4977 4978 348 atoms, 362 bonds, 41 residues, 1 model selected 4979 4980 > color sel light gray target ac 4981 4982 > select clear 4983 4984 > select ::name="ASN" 4985 4986 168 atoms, 149 bonds, 21 residues, 2 models selected 4987 4988 > color (#1 & sel) byhetero 4989 4990 > select clear 4991 4992 > select add #1/A:80 4993 4994 6 atoms, 5 bonds, 1 residue, 1 model selected 4995 4996 > color sel byhetero 4997 4998 > select clear 4999 5000 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 5001 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/ZmWAKL-Y.png" 5002 > width 900 height 739 supersample 4 transparentBackground true 5003 5004 > select clear 5005 5006 > hide #1 models 5007 5008 > open 5009 > /Users/u6290062/Downloads/ZmWAK_b7dcf/ZmWAK_b7dcf_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb 5010 5011 Chain information for 5012 ZmWAK_b7dcf_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb #3 5013 --- 5014 Chain | Description 5015 A | No description available 5016 5017 Computing secondary structure 5018 5019 > select clear 5020 5021 > ui tool show Matchmaker 5022 5023 > matchmaker #2 to #3 5024 5025 Parameters 5026 --- 5027 Chain pairing | bb 5028 Alignment algorithm | Needleman-Wunsch 5029 Similarity matrix | BLOSUM-62 5030 SS fraction | 0.3 5031 Gap open (HH/SS/other) | 18/18/6 5032 Gap extend | 1 5033 SS matrix | | | H | S | O 5034 ---|---|---|--- 5035 H | 6 | -9 | -6 5036 S | | 6 | -6 5037 O | | | 4 5038 Iteration cutoff | 2 5039 5040 Matchmaker ZmWAK_b7dcf_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb, 5041 chain A (#3) with stb6.pdb, chain A (#2), sequence alignment score = 106.7 5042 RMSD between 44 pruned atom pairs is 1.034 angstroms; (across all 159 pairs: 5043 16.006) 5044 5045 5046 > show #2 models 5047 5048 Alignment identifier is 1/A 5049 Destroying pre-existing alignment with identifier 2/A 5050 Alignment identifier is 2/A 5051 Alignment identifier is 3/A 5052 5053 > select #2/A:41 5054 5055 11 atoms, 11 bonds, 1 residue, 1 model selected 5056 5057 > select #2/A:41-46 5058 5059 53 atoms, 54 bonds, 6 residues, 1 model selected 5060 5061 > select clear 5062 5063 Drag select of 3 residues 5064 5065 > select clear 5066 5067 > select add #3/A:19 5068 5069 11 atoms, 11 bonds, 1 residue, 1 model selected 5070 5071 > select add #3/A:21 5072 5073 18 atoms, 17 bonds, 2 residues, 1 model selected 5074 5075 > select #3/A:19 5076 5077 11 atoms, 11 bonds, 1 residue, 1 model selected 5078 5079 > select #3/A:19-21 5080 5081 22 atoms, 22 bonds, 3 residues, 1 model selected 5082 5083 > setattr #3:19-21 res ss_type 2 5084 5085 Assigning ss_type attribute to 3 items 5086 5087 > select clear 5088 5089 > select add #3/A:29 5090 5091 4 atoms, 3 bonds, 1 residue, 1 model selected 5092 5093 > select add #2/A:41 5094 5095 15 atoms, 14 bonds, 2 residues, 2 models selected 5096 5097 > select subtract #2/A:41 5098 5099 4 atoms, 3 bonds, 1 residue, 1 model selected 5100 5101 > select add #3/A:30 5102 5103 15 atoms, 14 bonds, 2 residues, 1 model selected 5104 5105 > select add #3/A:31 5106 5107 26 atoms, 24 bonds, 3 residues, 1 model selected 5108 5109 > select add #3/A:28 5110 5111 35 atoms, 32 bonds, 4 residues, 1 model selected 5112 5113 > setattr #3:28-31 res ss_type 2 5114 5115 Assigning ss_type attribute to 4 items 5116 5117 > setattr #3:28-30 res ss_type 2 5118 5119 Assigning ss_type attribute to 3 items 5120 5121 > setattr #3:28-30 res ss_type 0 5122 5123 Assigning ss_type attribute to 3 items 5124 5125 > setattr #3:28-30 res ss_type 2 5126 5127 Assigning ss_type attribute to 3 items 5128 5129 > select clear 5130 5131 > hide #2 models 5132 5133 > select clear 5134 5135 > select ::name="CYS" 5136 5137 240 atoms, 209 bonds, 40 residues, 3 models selected 5138 5139 > color (#3 & sel) byhetero 5140 5141 > show sel & #3 atoms 5142 5143 > select clear 5144 5145 > select add #3/A:5 5146 5147 4 atoms, 3 bonds, 1 residue, 1 model selected 5148 5149 > select #3/A:1 5150 5151 5 atoms, 4 bonds, 1 residue, 1 model selected 5152 5153 > select #3/A:1-4 5154 5155 25 atoms, 25 bonds, 4 residues, 1 model selected 5156 5157 > hide sel cartoons 5158 5159 > select clear 5160 5161 > select add #3/A:6@SG 5162 5163 1 atom, 1 residue, 1 model selected 5164 5165 > select add #3/A:25@SG 5166 5167 2 atoms, 2 residues, 1 model selected 5168 5169 > bond sel 5170 5171 Created 1 bond 5172 5173 > select clear 5174 5175 > select add #3/A:10@SG 5176 5177 1 atom, 1 residue, 1 model selected 5178 5179 > select add #3/A:34@SG 5180 5181 2 atoms, 2 residues, 1 model selected 5182 5183 > bond sel 5184 5185 Created 1 bond 5186 5187 > select add #3/A:324@SG 5188 5189 3 atoms, 3 residues, 1 model selected 5190 5191 > select add #3/A:333@SG 5192 5193 4 atoms, 4 residues, 1 model selected 5194 5195 > bond sel 5196 5197 Created 1 bond 5198 5199 > select add #3/A:322@SG 5200 5201 5 atoms, 5 residues, 1 model selected 5202 5203 > select add #3/A:307@SG 5204 5205 6 atoms, 6 residues, 1 model selected 5206 5207 > bond sel 5208 5209 Created 1 bond 5210 5211 > select add #3/A:313@SG 5212 5213 7 atoms, 7 residues, 1 model selected 5214 5215 > select add #3/A:299@SG 5216 5217 8 atoms, 8 residues, 1 model selected 5218 5219 > bond sel 5220 5221 Created 1 bond 5222 5223 > select add #3/A:293@SG 5224 5225 9 atoms, 9 residues, 1 model selected 5226 5227 > select add #3/A:277@SG 5228 5229 10 atoms, 10 residues, 1 model selected 5230 5231 > bond sel 5232 5233 Created 1 bond 5234 5235 > select add #3/A:257@SG 5236 5237 11 atoms, 11 residues, 1 model selected 5238 5239 > select add #3/A:275@SG 5240 5241 12 atoms, 12 residues, 1 model selected 5242 5243 > bond sel 5244 5245 Created 1 bond 5246 5247 > select add #3/A:264@SG 5248 5249 13 atoms, 13 residues, 1 model selected 5250 5251 > select add #3/A:246@SG 5252 5253 14 atoms, 14 residues, 1 model selected 5254 5255 > bond sel 5256 5257 Created 1 bond 5258 5259 > select add #3/A:189@SG 5260 5261 15 atoms, 15 residues, 1 model selected 5262 5263 > select add #3/A:115@SG 5264 5265 16 atoms, 16 residues, 1 model selected 5266 5267 > bond sel 5268 5269 Created 1 bond 5270 5271 > select add #3/A:156@SG 5272 5273 17 atoms, 17 residues, 1 model selected 5274 5275 > select add #3/A:161@SG 5276 5277 18 atoms, 18 residues, 1 model selected 5278 5279 > bond sel 5280 5281 Created 1 bond 5282 5283 > select add #3/A:162@SG 5284 5285 19 atoms, 19 residues, 1 model selected 5286 5287 > select add #3/A:141@SG 5288 5289 20 atoms, 20 residues, 1 model selected 5290 5291 > bond sel 5292 5293 Created 1 bond 5294 5295 > select clear 5296 5297 > select add #3/A:78@SG 5298 5299 1 atom, 1 residue, 1 model selected 5300 5301 > select add #3/A:191@SG 5302 5303 2 atoms, 2 residues, 1 model selected 5304 5305 > bond sel 5306 5307 Created 1 bond 5308 5309 > select clear 5310 5311 > select add #3/A:251 5312 5313 8 atoms, 7 bonds, 1 residue, 1 model selected 5314 5315 > select add #3/A:250 5316 5317 15 atoms, 14 bonds, 2 residues, 1 model selected 5318 5319 > select add #3/A:249 5320 5321 20 atoms, 18 bonds, 3 residues, 1 model selected 5322 5323 > setattr #3/A:249-251 res ss_type 2 5324 5325 Assigning ss_type attribute to 3 items 5326 5327 > setattr #3/A:249-251 res ss_type 0 5328 5329 Assigning ss_type attribute to 3 items 5330 5331 > select clear 5332 5333 > select add #3/A:300 5334 5335 9 atoms, 8 bonds, 1 residue, 1 model selected 5336 5337 > select add #3/A:299 5338 5339 15 atoms, 13 bonds, 2 residues, 1 model selected 5340 5341 > select add #3/A:298 5342 5343 24 atoms, 21 bonds, 3 residues, 1 model selected 5344 5345 > setattr #3/A:298-300 res ss_type 0 5346 5347 Assigning ss_type attribute to 3 items 5348 5349 > select clear 5350 5351 > select add #3/A:209 5352 5353 8 atoms, 7 bonds, 1 residue, 1 model selected 5354 5355 > select add #3/A:208 5356 5357 16 atoms, 14 bonds, 2 residues, 1 model selected 5358 5359 > select add #3/A:207 5360 5361 22 atoms, 19 bonds, 3 residues, 1 model selected 5362 5363 > select add #3/A:206 5364 5365 27 atoms, 23 bonds, 4 residues, 1 model selected 5366 5367 > setattr #3/A:206-209 res ss_type 0 5368 5369 Assigning ss_type attribute to 4 items 5370 5371 > select clear 5372 5373 > select add #3/A:302 5374 5375 7 atoms, 7 bonds, 1 residue, 1 model selected 5376 5377 > select add #3/A:303 5378 5379 16 atoms, 15 bonds, 2 residues, 1 model selected 5380 5381 > select add #3/A:304 5382 5383 22 atoms, 20 bonds, 3 residues, 1 model selected 5384 5385 > setattr #3/A:302-304 res ss_type 0 5386 5387 Assigning ss_type attribute to 3 items 5388 5389 > select clear 5390 5391 > select add #3/A:219 5392 5393 7 atoms, 7 bonds, 1 residue, 1 model selected 5394 5395 > select add #3/A:220 5396 5397 15 atoms, 14 bonds, 2 residues, 1 model selected 5398 5399 > select add #3/A:221 5400 5401 23 atoms, 21 bonds, 3 residues, 1 model selected 5402 5403 > setattr #3/A:219-221 res ss_type 0 5404 5405 Assigning ss_type attribute to 3 items 5406 5407 > select clear 5408 5409 > select add #3/A:214 5410 5411 7 atoms, 7 bonds, 1 residue, 1 model selected 5412 5413 > select add #3/A:204 5414 5415 18 atoms, 18 bonds, 2 residues, 1 model selected 5416 5417 > setattr #3/A:204-214 res ss_type 1 5418 5419 Assigning ss_type attribute to 11 items 5420 5421 > select clear 5422 5423 > select add #3/A:204 5424 5425 11 atoms, 11 bonds, 1 residue, 1 model selected 5426 5427 > select add #3/A:205 5428 5429 20 atoms, 19 bonds, 2 residues, 1 model selected 5430 5431 > setattr #3/A:sel res ss_type 1 5432 5433 Assigning ss_type attribute to 0 items 5434 5435 > select clear 5436 5437 > select add #3/A:204 5438 5439 11 atoms, 11 bonds, 1 residue, 1 model selected 5440 5441 > select add #3/A:205 5442 5443 20 atoms, 19 bonds, 2 residues, 1 model selected 5444 5445 > setattr #3/A:204-205 res ss_type 1 5446 5447 Assigning ss_type attribute to 2 items 5448 5449 > setattr #3/A:204-205 res ss_type 0 5450 5451 Assigning ss_type attribute to 2 items 5452 5453 > select clear 5454 5455 > select add #3/A:214 5456 5457 7 atoms, 7 bonds, 1 residue, 1 model selected 5458 5459 > select add #3/A:213 5460 5461 14 atoms, 13 bonds, 2 residues, 1 model selected 5462 5463 > setattr #3/A:213-214 res ss_type 0 5464 5465 Assigning ss_type attribute to 2 items 5466 5467 > select clear 5468 5469 > select add #3/A:236 5470 5471 8 atoms, 7 bonds, 1 residue, 1 model selected 5472 5473 > select add #3/A:237 5474 5475 16 atoms, 14 bonds, 2 residues, 1 model selected 5476 5477 > select add #3/A:238 5478 5479 20 atoms, 17 bonds, 3 residues, 1 model selected 5480 5481 > select clear 5482 5483 > select add #3/A:199 5484 5485 9 atoms, 8 bonds, 1 residue, 1 model selected 5486 5487 > select add #3/A:200 5488 5489 13 atoms, 11 bonds, 2 residues, 1 model selected 5490 5491 > select subtract #3/A:199 5492 5493 4 atoms, 3 bonds, 1 residue, 1 model selected 5494 5495 > select add #3/A:232 5496 5497 9 atoms, 7 bonds, 2 residues, 1 model selected 5498 5499 > select #3/A:200 5500 5501 4 atoms, 3 bonds, 1 residue, 1 model selected 5502 5503 > select #3/A:200-233 5504 5505 285 atoms, 296 bonds, 34 residues, 1 model selected 5506 5507 > color sel forest green target ac 5508 5509 > select clear 5510 5511 > select #3/A:234 5512 5513 11 atoms, 10 bonds, 1 residue, 1 model selected 5514 5515 > select #3/A:234-339 5516 5517 801 atoms, 825 bonds, 106 residues, 1 model selected 5518 5519 > color sel pink target ac 5520 5521 > color sel dark turquoise target ac 5522 5523 > color sel light sea green target ac 5524 5525 > color sel teal target ac 5526 5527 > color sel yellow green target ac 5528 5529 > color sel sandy brown target ac 5530 5531 > color sel royal blue target ac 5532 5533 > select clear 5534 5535 > select #3/A:73 5536 5537 7 atoms, 7 bonds, 1 residue, 1 model selected 5538 5539 > select #3/A:74 5540 5541 7 atoms, 6 bonds, 1 residue, 1 model selected 5542 5543 > select #3/A:75 5544 5545 5 atoms, 4 bonds, 1 residue, 1 model selected 5546 5547 > select #3/A:74 5548 5549 7 atoms, 6 bonds, 1 residue, 1 model selected 5550 5551 > select #3/A:73 5552 5553 7 atoms, 7 bonds, 1 residue, 1 model selected 5554 5555 > select #3/A:1 5556 5557 5 atoms, 4 bonds, 1 residue, 1 model selected 5558 5559 > select #3/A:1-73 5560 5561 543 atoms, 556 bonds, 73 residues, 1 model selected 5562 5563 > color sel dark sea green target ac 5564 5565 > select clear 5566 5567 > select add #3/A:199 5568 5569 9 atoms, 8 bonds, 1 residue, 1 model selected 5570 5571 > select add #3/A:74 5572 5573 16 atoms, 14 bonds, 2 residues, 1 model selected 5574 5575 > select #3/A:74-75 5576 5577 12 atoms, 11 bonds, 2 residues, 1 model selected 5578 5579 > select #3/A:74-199 5580 5581 971 atoms, 1000 bonds, 126 residues, 1 model selected 5582 5583 > color sel dark khaki target ac 5584 5585 > select clear 5586 5587 > select add #3/A:234 5588 5589 11 atoms, 10 bonds, 1 residue, 1 model selected 5590 5591 > select #3/A:234 5592 5593 11 atoms, 10 bonds, 1 residue, 1 model selected 5594 5595 > select #3/A:234-339 5596 5597 801 atoms, 825 bonds, 106 residues, 1 model selected 5598 5599 > color sel dim gray target ac 5600 5601 > color sel lavender target ac 5602 5603 > color sel pale goldenrod target ac 5604 5605 > color sel khaki target ac 5606 5607 > color sel wheat target ac 5608 5609 > color sel light steel blue target ac 5610 5611 > color sel powder blue target ac 5612 5613 > color sel light blue target ac 5614 5615 > color sel light steel blue target ac 5616 5617 > select clear 5618 5619 > select ::name="CYS" 5620 5621 240 atoms, 221 bonds, 40 residues, 3 models selected 5622 5623 > color (#3 & sel) byhetero 5624 5625 > select clear 5626 5627 > select add #3/A:334 5628 5629 8 atoms, 7 bonds, 1 residue, 1 model selected 5630 5631 > select #3/A:334 5632 5633 8 atoms, 7 bonds, 1 residue, 1 model selected 5634 5635 > select #3/A:334-339 5636 5637 46 atoms, 47 bonds, 6 residues, 1 model selected 5638 5639 > hide sel cartoons 5640 5641 > select clear 5642 5643 > select add #3/A:74 5644 5645 7 atoms, 6 bonds, 1 residue, 1 model selected 5646 5647 > select add #3/A:108 5648 5649 15 atoms, 13 bonds, 2 residues, 1 model selected 5650 5651 > select subtract #3/A:108 5652 5653 7 atoms, 6 bonds, 1 residue, 1 model selected 5654 5655 > select add #3/A:107 5656 5657 16 atoms, 14 bonds, 2 residues, 1 model selected 5658 5659 > select #3/A:74 5660 5661 7 atoms, 6 bonds, 1 residue, 1 model selected 5662 5663 > select #3/A:74-107 5664 5665 256 atoms, 262 bonds, 34 residues, 1 model selected 5666 5667 > color sel light gray target ac 5668 5669 > select clear 5670 5671 > select ::name="CYS" 5672 5673 240 atoms, 221 bonds, 40 residues, 3 models selected 5674 5675 > color (#3 & sel) byhetero 5676 5677 > select clear 5678 5679 > select add #3/A:208 5680 5681 8 atoms, 7 bonds, 1 residue, 1 model selected 5682 5683 > select add #3/A:207 5684 5685 14 atoms, 12 bonds, 2 residues, 1 model selected 5686 5687 > select add #3/A:209 5688 5689 22 atoms, 19 bonds, 3 residues, 1 model selected 5690 5691 > setattr #3/A:207-209 res ss_type 0 5692 5693 Assigning ss_type attribute to 3 items 5694 5695 > select clear 5696 5697 > select add #3/A:212 5698 5699 10 atoms, 10 bonds, 1 residue, 1 model selected 5700 5701 > select add #3/A:211 5702 5703 16 atoms, 15 bonds, 2 residues, 1 model selected 5704 5705 > select add #3/A:213 5706 5707 23 atoms, 21 bonds, 3 residues, 1 model selected 5708 5709 > select add #3/A:210 5710 5711 30 atoms, 27 bonds, 4 residues, 1 model selected 5712 5713 > setattr #3/A:210-213 res ss_type 0 5714 5715 Assigning ss_type attribute to 4 items 5716 5717 > select clear 5718 5719 > select ::name="ASN" 5720 5721 352 atoms, 311 bonds, 44 residues, 3 models selected 5722 5723 > select clear 5724 5725 > show #1 models 5726 5727 > hide #1 models 5728 5729 > select clear 5730 5731 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 5732 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/ZmWAK.png" 5733 > width 900 height 739 supersample 4 transparentBackground true 5734 5735 > select clear 5736 5737 > hide #3 models 5738 5739 > open 5740 > /Users/u6290062/Downloads/Xa4_7f217/Xa4_7f217_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb 5741 5742 Chain information for 5743 Xa4_7f217_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #4 5744 --- 5745 Chain | Description 5746 A | No description available 5747 5748 Computing secondary structure 5749 Alignment identifier is 1/A 5750 Destroying pre-existing alignment with identifier 2/A 5751 Alignment identifier is 2/A 5752 Destroying pre-existing alignment with identifier 3/A 5753 Alignment identifier is 3/A 5754 Alignment identifier is 4/A 5755 5756 > select #4/A:26 5757 5758 8 atoms, 7 bonds, 1 residue, 1 model selected 5759 Drag select of 4 residues 5760 5761 > select clear 5762 5763 > select add #4/A:27 5764 5765 6 atoms, 5 bonds, 1 residue, 1 model selected 5766 5767 > select add #4/A:25 5768 5769 14 atoms, 12 bonds, 2 residues, 1 model selected 5770 5771 > setattr #3/A:25-27 res ss_type 0 5772 5773 Assigning ss_type attribute to 3 items 5774 5775 > setattr #4/A:25-27 res ss_type 0 5776 5777 Assigning ss_type attribute to 3 items 5778 5779 > select clear 5780 5781 > show #2 models 5782 5783 > ui tool show Matchmaker 5784 5785 > matchmaker #2 to #4 5786 5787 Parameters 5788 --- 5789 Chain pairing | bb 5790 Alignment algorithm | Needleman-Wunsch 5791 Similarity matrix | BLOSUM-62 5792 SS fraction | 0.3 5793 Gap open (HH/SS/other) | 18/18/6 5794 Gap extend | 1 5795 SS matrix | | | H | S | O 5796 ---|---|---|--- 5797 H | 6 | -9 | -6 5798 S | | 6 | -6 5799 O | | | 4 5800 Iteration cutoff | 2 5801 5802 Matchmaker Xa4_7f217_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb, 5803 chain A (#4) with stb6.pdb, chain A (#2), sequence alignment score = 103.2 5804 RMSD between 47 pruned atom pairs is 0.921 angstroms; (across all 161 pairs: 5805 14.144) 5806 5807 5808 > select add #4/A:34 5809 5810 8 atoms, 7 bonds, 1 residue, 1 model selected 5811 5812 > select add #4/A:37 5813 5814 16 atoms, 14 bonds, 2 residues, 1 model selected 5815 5816 > select #4/A:35 5817 5818 11 atoms, 11 bonds, 1 residue, 1 model selected 5819 5820 > select #4/A:35-37 5821 5822 26 atoms, 26 bonds, 3 residues, 1 model selected 5823 5824 > setattr #4/A:35-37 res ss_type 2 5825 5826 Assigning ss_type attribute to 3 items 5827 5828 > select clear 5829 5830 > select add #4/A:22 5831 5832 11 atoms, 11 bonds, 1 residue, 1 model selected 5833 5834 > select add #4/A:24 5835 5836 18 atoms, 17 bonds, 2 residues, 1 model selected 5837 5838 > select add #4/A:25 5839 5840 26 atoms, 24 bonds, 3 residues, 1 model selected 5841 5842 > setattr #4/A:22-25 res ss_type 2 5843 5844 Assigning ss_type attribute to 4 items 5845 5846 > select clear 5847 5848 > hide #2 models 5849 5850 > select clear 5851 5852 > select ::name="CYS" 5853 5854 384 atoms, 342 bonds, 64 residues, 4 models selected 5855 5856 > show sel & #4 atoms 5857 5858 > select clear 5859 5860 > select add #4/A:9@SG 5861 5862 1 atom, 1 residue, 1 model selected 5863 5864 > select add #4/A:27@SG 5865 5866 2 atoms, 2 residues, 1 model selected 5867 5868 > bond sel 5869 5870 Created 1 bond 5871 5872 > select clear 5873 5874 > select add #4/A:13@SG 5875 5876 1 atom, 1 residue, 1 model selected 5877 5878 > select add #4/A:39@SG 5879 5880 2 atoms, 2 residues, 1 model selected 5881 5882 > bond sel 5883 5884 Created 1 bond 5885 5886 > select #4/A:180@SG 5887 5888 1 atom, 1 residue, 1 model selected 5889 5890 > select add #4/A:71@SG 5891 5892 2 atoms, 2 residues, 1 model selected 5893 5894 > bond sel 5895 5896 Created 1 bond 5897 5898 > select clear 5899 5900 > select add #4/A:131@SG 5901 5902 1 atom, 1 residue, 1 model selected 5903 5904 > select add #4/A:109@SG 5905 5906 2 atoms, 2 residues, 1 model selected 5907 5908 > bond sel 5909 5910 Created 1 bond 5911 5912 > select add #4/A:150@SG 5913 5914 3 atoms, 3 residues, 1 model selected 5915 5916 > select add #4/A:127@SG 5917 5918 4 atoms, 4 residues, 1 model selected 5919 5920 > bond sel 5921 5922 Created 1 bond 5923 5924 > select add #4/A:144@SG 5925 5926 5 atoms, 5 residues, 1 model selected 5927 5928 > select add #4/A:149@SG 5929 5930 6 atoms, 6 residues, 1 model selected 5931 5932 > bond sel 5933 5934 Created 1 bond 5935 5936 > select clear 5937 5938 > select add #4/A:245@SG 5939 5940 1 atom, 1 residue, 1 model selected 5941 5942 > select add #4/A:228@SG 5943 5944 2 atoms, 2 residues, 1 model selected 5945 5946 > bond sel 5947 5948 Created 1 bond 5949 5950 > select add #4/A:256@SG 5951 5952 3 atoms, 3 residues, 1 model selected 5953 5954 > select add #4/A:238@SG 5955 5956 4 atoms, 4 residues, 1 model selected 5957 5958 > bond sel 5959 5960 Created 1 bond 5961 5962 > select add #4/A:258@SG 5963 5964 5 atoms, 5 residues, 1 model selected 5965 5966 > select add #4/A:272@SG 5967 5968 6 atoms, 6 residues, 1 model selected 5969 5970 > bond sel 5971 5972 Created 1 bond 5973 5974 > select add #4/A:291@SG 5975 5976 7 atoms, 7 residues, 1 model selected 5977 5978 > select add #4/A:278@SG 5979 5980 8 atoms, 8 residues, 1 model selected 5981 5982 > bond sel 5983 5984 Created 1 bond 5985 5986 > select add #4/A:300@SG 5987 5988 9 atoms, 9 residues, 1 model selected 5989 5990 > select add #4/A:285@SG 5991 5992 10 atoms, 10 residues, 1 model selected 5993 5994 > bond sel 5995 5996 Created 1 bond 5997 5998 > select add #4/A:320@SG 5999 6000 11 atoms, 11 residues, 1 model selected 6001 6002 > select add #4/A:302@SG 6003 6004 12 atoms, 12 residues, 1 model selected 6005 6006 > bond sel 6007 6008 Created 1 bond 6009 6010 > select clear 6011 6012 > select add #4/A:8 6013 6014 8 atoms, 7 bonds, 1 residue, 1 model selected 6015 6016 > select #4/A:6 6017 6018 7 atoms, 7 bonds, 1 residue, 1 model selected 6019 6020 > select #4/A:1-6 6021 6022 43 atoms, 44 bonds, 6 residues, 1 model selected 6023 6024 > hide sel cartoons 6025 6026 > select clear 6027 6028 > select add #4/A:325 6029 6030 7 atoms, 7 bonds, 1 residue, 1 model selected 6031 6032 > select add #4/A:322 6033 6034 14 atoms, 14 bonds, 2 residues, 1 model selected 6035 6036 > select add #4/A:321 6037 6038 23 atoms, 22 bonds, 3 residues, 1 model selected 6039 6040 > select #4/A:321-322 6041 6042 16 atoms, 16 bonds, 2 residues, 1 model selected 6043 6044 > select #4/A:321-326 6045 6046 44 atoms, 45 bonds, 6 residues, 1 model selected 6047 6048 > hide sel cartoons 6049 6050 > select clear 6051 6052 > select add #4/A:135 6053 6054 5 atoms, 4 bonds, 1 residue, 1 model selected 6055 6056 > select add #4/A:136 6057 6058 12 atoms, 10 bonds, 2 residues, 1 model selected 6059 6060 > select add #4/A:134 6061 6062 20 atoms, 17 bonds, 3 residues, 1 model selected 6063 6064 > setattr #4:134-136 res ss_type 0 6065 6066 Assigning ss_type attribute to 3 items 6067 6068 > select clear 6069 6070 > select add #4/A:198 6071 6072 11 atoms, 11 bonds, 1 residue, 1 model selected 6073 6074 > select add #4/A:195 6075 6076 22 atoms, 21 bonds, 2 residues, 1 model selected 6077 6078 > setattr #4:195-198 res ss_type 0 6079 6080 Assigning ss_type attribute to 4 items 6081 6082 > select clear 6083 6084 > select add #4/A:188 6085 6086 9 atoms, 8 bonds, 1 residue, 1 model selected 6087 6088 > select add #4/A:189 6089 6090 19 atoms, 18 bonds, 2 residues, 1 model selected 6091 6092 > select subtract #4/A:188 6093 6094 10 atoms, 10 bonds, 1 residue, 1 model selected 6095 6096 > select add #4/A:221 6097 6098 15 atoms, 14 bonds, 2 residues, 1 model selected 6099 6100 > select #4/A:189 6101 6102 10 atoms, 10 bonds, 1 residue, 1 model selected 6103 6104 > select #4/A:189-221 6105 6106 294 atoms, 304 bonds, 33 residues, 1 model selected 6107 6108 > color sel forest green target ac 6109 6110 > select clear 6111 6112 > select add #4/A:222 6113 6114 8 atoms, 7 bonds, 1 residue, 1 model selected 6115 6116 > select #4/A:222-224 6117 6118 28 atoms, 27 bonds, 3 residues, 1 model selected 6119 6120 > select #4/A:222-326 6121 6122 777 atoms, 796 bonds, 105 residues, 1 model selected 6123 6124 > color sel light steel blue target ac 6125 6126 > select clear 6127 6128 > select add #4/A:67 6129 6130 7 atoms, 6 bonds, 1 residue, 1 model selected 6131 6132 > select add #4/A:101 6133 6134 18 atoms, 16 bonds, 2 residues, 1 model selected 6135 6136 > select #4/A:67-68 6137 6138 14 atoms, 13 bonds, 2 residues, 1 model selected 6139 6140 > select #4/A:67-101 6141 6142 276 atoms, 281 bonds, 35 residues, 1 model selected 6143 6144 > color sel light gray target ac 6145 6146 > select clear 6147 6148 > select add #4/A:66 6149 6150 7 atoms, 7 bonds, 1 residue, 1 model selected 6151 6152 > select #4/A:1 6153 6154 5 atoms, 4 bonds, 1 residue, 1 model selected 6155 6156 > select #4/A:1-66 6157 6158 505 atoms, 524 bonds, 66 residues, 1 model selected 6159 6160 > color sel dark sea green target ac 6161 6162 > select clear 6163 6164 > select add #4/A:102 6165 6166 8 atoms, 7 bonds, 1 residue, 1 model selected 6167 6168 > select add #4/A:188 6169 6170 17 atoms, 15 bonds, 2 residues, 1 model selected 6171 6172 > select #4/A:102 6173 6174 8 atoms, 7 bonds, 1 residue, 1 model selected 6175 6176 > select #4/A:102-188 6177 6178 628 atoms, 644 bonds, 87 residues, 1 model selected 6179 6180 > color sel dark khaki target ac 6181 6182 > select clear 6183 6184 > select ::name="CYS" 6185 6186 384 atoms, 354 bonds, 64 residues, 4 models selected 6187 6188 > color (#4 & sel) byhetero 6189 6190 > select clear 6191 6192 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 6193 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Xa4.png" width 6194 > 900 height 739 supersample 4 transparentBackground true 6195 6196 > hide #4 models 6197 6198 > open 6199 > /Users/u6290062/Downloads/snn1_d97b8/snn1_d97b8_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb 6200 6201 Chain information for 6202 snn1_d97b8_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #5 6203 --- 6204 Chain | Description 6205 A | No description available 6206 6207 Computing secondary structure 6208 6209 > select clear 6210 6211 > hide #5 models 6212 6213 > show #4 models 6214 6215 > color bfactor palette 6216 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue 6217 6218 10982 atoms, 1423 residues, atom bfactor range 32.5 to 191 6219 6220 > select clear 6221 6222 > hide #4 atoms 6223 6224 > select clear 6225 6226 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 6227 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Xa4-pLDDT.png" 6228 > width 900 height 739 supersample 4 transparentBackground true 6229 6230 > select clear 6231 6232 > hide #4 models 6233 6234 > show #3 models 6235 6236 > hide #3 atoms 6237 6238 > select clear 6239 6240 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 6241 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/ZmWAK- 6242 > pLDDT.png" width 900 height 739 supersample 4 transparentBackground true 6243 6244 > select clear 6245 6246 > hide #3 models 6247 6248 > show #1 models 6249 6250 > select clear 6251 6252 > hide #1 atoms 6253 6254 > select clear 6255 6256 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 6257 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/ZmWAKL-Y- 6258 > pLDDT.png" width 900 height 739 supersample 4 transparentBackground true 6259 6260 > hide #1 models 6261 6262 > show #5 models 6263 6264 > color #5 #d4fb79ff 6265 6266 > show #2 models 6267 6268 > ui tool show Matchmaker 6269 6270 > matchmaker #2 to #5 6271 6272 Parameters 6273 --- 6274 Chain pairing | bb 6275 Alignment algorithm | Needleman-Wunsch 6276 Similarity matrix | BLOSUM-62 6277 SS fraction | 0.3 6278 Gap open (HH/SS/other) | 18/18/6 6279 Gap extend | 1 6280 SS matrix | | | H | S | O 6281 ---|---|---|--- 6282 H | 6 | -9 | -6 6283 S | | 6 | -6 6284 O | | | 4 6285 Iteration cutoff | 2 6286 6287 Matchmaker snn1_d97b8_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb, 6288 chain A (#5) with stb6.pdb, chain A (#2), sequence alignment score = 78.7 6289 RMSD between 44 pruned atom pairs is 0.933 angstroms; (across all 166 pairs: 6290 14.577) 6291 6292 6293 > color #5 #941751ff 6294 6295 > color #5 #ff2f92ff 6296 6297 > color #5 #ff8ad8ff 6298 6299 > color #5 #ff85ffff 6300 6301 > color #5 #73fcd6ff 6302 6303 > color #5 #ff8ad8ff 6304 6305 > select clear 6306 6307 > color #2 #d6d6d6ff 6308 6309 > select clear 6310 6311 > select add #5/A:31 6312 6313 11 atoms, 11 bonds, 1 residue, 1 model selected 6314 Alignment identifier is 5/A 6315 6316 > select #5/A:31 6317 6318 11 atoms, 11 bonds, 1 residue, 1 model selected 6319 6320 > select #5/A:31-36 6321 6322 48 atoms, 48 bonds, 6 residues, 1 model selected 6323 6324 > setattr #5:31-36 res ss_type 2 6325 6326 Assigning ss_type attribute to 6 items 6327 6328 > select clear 6329 6330 > setattr #5:30-36 res ss_type 2 6331 6332 Assigning ss_type attribute to 7 items 6333 6334 > setattr #5:29-36 res ss_type 2 6335 6336 Assigning ss_type attribute to 8 items 6337 6338 > setattr #5:29-36 res ss_type 0 6339 6340 Assigning ss_type attribute to 8 items 6341 6342 > setattr #5:30-36 res ss_type 2 6343 6344 Assigning ss_type attribute to 7 items 6345 6346 > select clear 6347 6348 > select add #5/A:20 6349 6350 11 atoms, 11 bonds, 1 residue, 1 model selected 6351 6352 > select #5/A:21 6353 6354 4 atoms, 3 bonds, 1 residue, 1 model selected 6355 6356 > select #5/A:21-22 6357 6358 12 atoms, 11 bonds, 2 residues, 1 model selected 6359 6360 > select #5/A:20 6361 6362 11 atoms, 11 bonds, 1 residue, 1 model selected 6363 6364 > select #5/A:20-22 6365 6366 23 atoms, 23 bonds, 3 residues, 1 model selected 6367 6368 > setattr #5:20-22 res ss_type 2 6369 6370 Assigning ss_type attribute to 3 items 6371 6372 > select clear 6373 6374 > hide #2 models 6375 6376 > select clear 6377 6378 > select ::name="CYS" 6379 6380 516 atoms, 465 bonds, 86 residues, 5 models selected 6381 6382 > show sel & #5 atoms 6383 6384 > color (#5 & sel) byhetero 6385 6386 > select clear 6387 6388 > select #5/A:7@SG 6389 6390 1 atom, 1 residue, 1 model selected 6391 6392 > select add #5/A:26@SG 6393 6394 2 atoms, 2 residues, 1 model selected 6395 6396 > bond sel 6397 6398 Created 1 bond 6399 6400 > select #5/A:11@SG 6401 6402 1 atom, 1 residue, 1 model selected 6403 6404 > select add #5/A:35@SG 6405 6406 2 atoms, 2 residues, 1 model selected 6407 6408 > bond sel 6409 6410 Created 1 bond 6411 6412 > select add #5/A:208@SG 6413 6414 3 atoms, 3 residues, 1 model selected 6415 6416 > select add #5/A:94@SG 6417 6418 4 atoms, 4 residues, 1 model selected 6419 6420 > bond sel 6421 6422 Created 1 bond 6423 6424 > select add #5/A:170@SG 6425 6426 5 atoms, 5 residues, 1 model selected 6427 6428 > select add #5/A:175@SG 6429 6430 6 atoms, 6 residues, 1 model selected 6431 6432 > bond sel 6433 6434 Created 1 bond 6435 6436 > select add #5/A:152@SG 6437 6438 7 atoms, 7 residues, 1 model selected 6439 6440 > select add #5/A:176@SG 6441 6442 8 atoms, 8 residues, 1 model selected 6443 6444 > select subtract #5/A:176@SG 6445 6446 7 atoms, 7 residues, 1 model selected 6447 6448 > select add #5/A:176@SG 6449 6450 8 atoms, 8 residues, 1 model selected 6451 6452 > bond sel 6453 6454 Created 0 bonds 6455 6456 > bond sel 6457 6458 Created 0 bonds 6459 6460 > select clear 6461 6462 > select add #5/A:152@SG 6463 6464 1 atom, 1 residue, 1 model selected 6465 6466 > select add #5/A:176@SG 6467 6468 2 atoms, 2 residues, 1 model selected 6469 6470 > bond sel 6471 6472 Created 0 bonds 6473 6474 > select clear 6475 6476 > select add #5/A:152@SG 6477 6478 1 atom, 1 residue, 1 model selected 6479 6480 > select add #5/A:176@SG 6481 6482 2 atoms, 2 residues, 1 model selected 6483 6484 > bond sel 6485 6486 Created 0 bonds 6487 6488 > select clear 6489 6490 > select add #5/A:210 6491 6492 12 atoms, 12 bonds, 1 residue, 1 model selected 6493 6494 > select clear 6495 6496 > select add #5/A:176@SG 6497 6498 1 atom, 1 residue, 1 model selected 6499 6500 > select add #5/A:152@SG 6501 6502 2 atoms, 2 residues, 1 model selected 6503 6504 > bond sel 6505 6506 Created 0 bonds 6507 6508 > select clear 6509 6510 > select add #5/A:331@SG 6511 6512 1 atom, 1 residue, 1 model selected 6513 6514 > select add #5/A:344@SG 6515 6516 2 atoms, 2 residues, 1 model selected 6517 6518 > bond sel 6519 6520 Created 1 bond 6521 6522 > select add #5/A:329@SG 6523 6524 3 atoms, 3 residues, 1 model selected 6525 6526 > select add #5/A:314@SG 6527 6528 4 atoms, 4 residues, 1 model selected 6529 6530 > bond sel 6531 6532 Created 1 bond 6533 6534 > select add #5/A:306@SG 6535 6536 5 atoms, 5 residues, 1 model selected 6537 6538 > select add #5/A:320@SG 6539 6540 6 atoms, 6 residues, 1 model selected 6541 6542 > bond sel 6543 6544 Created 1 bond 6545 6546 > select clear 6547 6548 > select add #5/A:266@SG 6549 6550 1 atom, 1 residue, 1 model selected 6551 6552 > select add #5/A:284@SG 6553 6554 2 atoms, 2 residues, 1 model selected 6555 6556 > bond sel 6557 6558 Created 1 bond 6559 6560 > select clear 6561 6562 > select add #5/A:300@SG 6563 6564 1 atom, 1 residue, 1 model selected 6565 6566 > select add #5/A:286@SG 6567 6568 2 atoms, 2 residues, 1 model selected 6569 6570 > bond sel 6571 6572 Created 1 bond 6573 6574 > select clear 6575 6576 > select add #5/A:273@SG 6577 6578 1 atom, 1 residue, 1 model selected 6579 6580 > select add #5/A:253@SG 6581 6582 2 atoms, 2 residues, 1 model selected 6583 6584 > bond sel 6585 6586 Created 1 bond 6587 6588 > select clear 6589 6590 > select add #5/A:6 6591 6592 4 atoms, 3 bonds, 1 residue, 1 model selected 6593 6594 > select #5/A:1 6595 6596 5 atoms, 4 bonds, 1 residue, 1 model selected 6597 6598 > select #5/A:1-4 6599 6600 32 atoms, 31 bonds, 4 residues, 1 model selected 6601 6602 > select #5/A:1 6603 6604 5 atoms, 4 bonds, 1 residue, 1 model selected 6605 6606 > select #5/A:1-5 6607 6608 41 atoms, 40 bonds, 5 residues, 1 model selected 6609 6610 > hide sel cartoons 6611 6612 > select clear 6613 6614 > select add #5/A:238 6615 6616 11 atoms, 10 bonds, 1 residue, 1 model selected 6617 6618 > select add #5/A:235 6619 6620 22 atoms, 20 bonds, 2 residues, 1 model selected 6621 6622 > setattr #4:235-238 res ss_type 2 6623 6624 Assigning ss_type attribute to 4 items 6625 6626 > setattr #5:235-238 res ss_type 1 6627 6628 Assigning ss_type attribute to 4 items 6629 6630 > select clear 6631 6632 > select add #5/A:247 6633 6634 5 atoms, 4 bonds, 1 residue, 1 model selected 6635 6636 > select add #5/A:216 6637 6638 14 atoms, 12 bonds, 2 residues, 1 model selected 6639 6640 > select #5/A:216 6641 6642 9 atoms, 8 bonds, 1 residue, 1 model selected 6643 6644 > select #5/A:216-247 6645 6646 266 atoms, 274 bonds, 32 residues, 1 model selected 6647 6648 > color sel forest green target ac 6649 6650 > select clear 6651 6652 > select add #5/A:73 6653 6654 9 atoms, 8 bonds, 1 residue, 1 model selected 6655 6656 > select add #5/A:71 6657 6658 15 atoms, 13 bonds, 2 residues, 1 model selected 6659 6660 > select add #5/A:72 6661 6662 23 atoms, 20 bonds, 3 residues, 1 model selected 6663 6664 > setattr #5:71-73 res ss_type 0 6665 6666 Assigning ss_type attribute to 3 items 6667 6668 > select clear 6669 6670 > select add #5/A:74 6671 6672 8 atoms, 7 bonds, 1 residue, 1 model selected 6673 6674 > select add #5/A:121 6675 6676 19 atoms, 17 bonds, 2 residues, 1 model selected 6677 6678 > select #5/A:74 6679 6680 8 atoms, 7 bonds, 1 residue, 1 model selected 6681 6682 > select #5/A:74-125 6683 6684 396 atoms, 404 bonds, 52 residues, 1 model selected 6685 6686 > select #5/A:120 6687 6688 7 atoms, 6 bonds, 1 residue, 1 model selected 6689 6690 > select #5/A:120-121 6691 6692 18 atoms, 17 bonds, 2 residues, 1 model selected 6693 6694 > select #5/A:120-121 6695 6696 18 atoms, 17 bonds, 2 residues, 1 model selected 6697 6698 > select #5/A:74 6699 6700 8 atoms, 7 bonds, 1 residue, 1 model selected 6701 6702 > select #5/A:74-121 6703 6704 365 atoms, 373 bonds, 48 residues, 1 model selected 6705 6706 > color sel light gray target ac 6707 6708 > select clear 6709 6710 > select add #5/A:73 6711 6712 9 atoms, 8 bonds, 1 residue, 1 model selected 6713 6714 > select #5/A:1-2 6715 6716 14 atoms, 13 bonds, 2 residues, 1 model selected 6717 6718 > select #5/A:1-73 6719 6720 564 atoms, 582 bonds, 73 residues, 1 model selected 6721 6722 > color sel dark sea green target ac 6723 6724 > select clear 6725 6726 > select #5/A:248 6727 6728 5 atoms, 4 bonds, 1 residue, 1 model selected 6729 6730 > select #5/A:249 6731 6732 4 atoms, 3 bonds, 1 residue, 1 model selected 6733 6734 > select #5/A:249-346 6735 6736 713 atoms, 741 bonds, 98 residues, 1 model selected 6737 6738 > color sel light steel blue target ac 6739 6740 > select clear 6741 6742 > select add #5/A:248 6743 6744 5 atoms, 4 bonds, 1 residue, 1 model selected 6745 6746 > color sel light steel blue target ac 6747 6748 > select clear 6749 6750 > select add #5/A:122 6751 6752 8 atoms, 7 bonds, 1 residue, 1 model selected 6753 6754 > select add #5/A:215 6755 6756 16 atoms, 14 bonds, 2 residues, 1 model selected 6757 6758 > select #5/A:122-123 6759 6760 16 atoms, 15 bonds, 2 residues, 1 model selected 6761 6762 > select #5/A:122-215 6763 6764 732 atoms, 755 bonds, 94 residues, 1 model selected 6765 6766 > color sel dark khaki target ac 6767 6768 > select clear 6769 6770 > select ::name="CYS" 6771 6772 516 atoms, 475 bonds, 86 residues, 5 models selected 6773 6774 > show sel & #5 atoms 6775 6776 > color (#5 & sel) byhetero 6777 6778 > select clear 6779 6780 > select add #5/A:225 6781 6782 8 atoms, 7 bonds, 1 residue, 1 model selected 6783 6784 > select add #5/A:226 6785 6786 16 atoms, 14 bonds, 2 residues, 1 model selected 6787 6788 > setattr #5:225-226 res ss_type 0 6789 6790 Assigning ss_type attribute to 2 items 6791 6792 > select clear 6793 6794 > select add #5/A:224 6795 6796 7 atoms, 7 bonds, 1 residue, 1 model selected 6797 6798 > select add #5/A:223 6799 6800 14 atoms, 13 bonds, 2 residues, 1 model selected 6801 6802 > setattr #5:223-224 res ss_type 0 6803 6804 Assigning ss_type attribute to 2 items 6805 6806 > select clear 6807 6808 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 6809 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Snn1.png" width 6810 > 900 height 739 supersample 4 transparentBackground true 6811 6812 > color bfactor palette 6813 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue 6814 6815 10982 atoms, 1423 residues, atom bfactor range 32.5 to 191 6816 6817 > select clear 6818 6819 > hide #5 atoms 6820 6821 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 6822 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Snn1-pLDDT.png" 6823 > width 900 height 739 supersample 4 transparentBackground true 6824 6825 > hide #5 models 6826 6827 > open 6828 > /Users/u6290062/Downloads/rlm9_d87e1/rlm9_d87e1_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb 6829 6830 Chain information for 6831 rlm9_d87e1_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb #6 6832 --- 6833 Chain | Description 6834 A | No description available 6835 6836 Computing secondary structure 6837 6838 > open 6839 > /Users/u6290062/Downloads/rlm4_42bc7/rlm4_42bc7_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb 6840 6841 Chain information for 6842 rlm4_42bc7_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #7 6843 --- 6844 Chain | Description 6845 A | No description available 6846 6847 Computing secondary structure 6848 6849 > open 6850 > /Users/u6290062/Downloads/rlm7_404af/rlm7_404af_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb 6851 6852 Chain information for 6853 rlm7_404af_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #8 6854 --- 6855 Chain | Description 6856 A | No description available 6857 6858 Computing secondary structure 6859 6860 > hide #6 models 6861 6862 > hide #7 models 6863 6864 > hide #8 models 6865 6866 > show #7 models 6867 6868 > hide #7 models 6869 6870 > show #6 models 6871 6872 > color bfactor palette 6873 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue 6874 6875 18945 atoms, 2467 residues, atom bfactor range 32.5 to 191 6876 6877 > hide #6 models 6878 6879 > show #7 models 6880 6881 > hide #7 models 6882 6883 > show #8 models 6884 6885 > hide #8 models 6886 6887 > show #6 models 6888 6889 > select clear 6890 6891 > color #7 white 6892 6893 > close #7 6894 6895 > close #8 6896 6897 > color #6 white 6898 6899 > select clear 6900 6901 > show #2 models 6902 6903 > color #2 #00fdffff 6904 6905 > select clear 6906 6907 > ui tool show Matchmaker 6908 6909 > matchmaker #2 to #6 6910 6911 Parameters 6912 --- 6913 Chain pairing | bb 6914 Alignment algorithm | Needleman-Wunsch 6915 Similarity matrix | BLOSUM-62 6916 SS fraction | 0.3 6917 Gap open (HH/SS/other) | 18/18/6 6918 Gap extend | 1 6919 SS matrix | | | H | S | O 6920 ---|---|---|--- 6921 H | 6 | -9 | -6 6922 S | | 6 | -6 6923 O | | | 4 6924 Iteration cutoff | 2 6925 6926 Matchmaker rlm9_d87e1_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb, 6927 chain A (#6) with stb6.pdb, chain A (#2), sequence alignment score = 83.2 6928 RMSD between 26 pruned atom pairs is 0.902 angstroms; (across all 150 pairs: 6929 20.495) 6930 6931 6932 > select add #6/A:16 6933 6934 11 atoms, 11 bonds, 1 residue, 1 model selected 6935 6936 > select add #6/A:18 6937 6938 19 atoms, 18 bonds, 2 residues, 1 model selected 6939 Alignment identifier is 6/A 6940 6941 > select #6/A:16-17 6942 6943 15 atoms, 15 bonds, 2 residues, 1 model selected 6944 6945 > select #6/A:16-18 6946 6947 23 atoms, 23 bonds, 3 residues, 1 model selected 6948 6949 > setattr #6:16-18 res ss_type 2 6950 6951 Assigning ss_type attribute to 3 items 6952 6953 > select clear 6954 6955 > select add #6/A:26 6956 6957 9 atoms, 8 bonds, 1 residue, 1 model selected 6958 6959 > select add #6/A:28 6960 6961 21 atoms, 20 bonds, 2 residues, 1 model selected 6962 6963 > setattr #6:26-28 res ss_type 0 6964 6965 Assigning ss_type attribute to 3 items 6966 6967 > select #6/A:32 6968 6969 6 atoms, 5 bonds, 1 residue, 1 model selected 6970 6971 > select add #6/A:30 6972 6973 14 atoms, 12 bonds, 2 residues, 1 model selected 6974 6975 > select add #6/A:27 6976 6977 28 atoms, 27 bonds, 3 residues, 1 model selected 6978 6979 > setattr #6:27-30 res ss_type 2 6980 6981 Assigning ss_type attribute to 4 items 6982 6983 > select clear 6984 6985 > hide #2 models 6986 6987 > select clear 6988 6989 > select ::name="CYS" 6990 6991 660 atoms, 596 bonds, 110 residues, 6 models selected 6992 6993 > show sel & #6 atoms 6994 6995 > color (#6 & sel) byhetero 6996 6997 > select clear 6998 6999 > select #6/A:3@SG 7000 7001 1 atom, 1 residue, 1 model selected 7002 7003 > select add #6/A:22@SG 7004 7005 2 atoms, 2 residues, 1 model selected 7006 7007 > bond sel 7008 7009 Created 1 bond 7010 7011 > select add #6/A:7@SG 7012 7013 3 atoms, 3 residues, 1 model selected 7014 7015 > select add #6/A:32@SG 7016 7017 4 atoms, 4 residues, 1 model selected 7018 7019 > bond sel 7020 7021 Created 1 bond 7022 7023 > select add #6/A:213@SG 7024 7025 5 atoms, 5 residues, 1 model selected 7026 7027 > select add #6/A:88@SG 7028 7029 6 atoms, 6 residues, 1 model selected 7030 7031 > bond sel 7032 7033 Created 1 bond 7034 7035 > select add #6/A:139@SG 7036 7037 7 atoms, 7 residues, 1 model selected 7038 7039 > select add #6/A:119@SG 7040 7041 8 atoms, 8 residues, 1 model selected 7042 7043 > bond sel 7044 7045 Created 1 bond 7046 7047 > select add #6/A:140 7048 7049 16 atoms, 7 bonds, 9 residues, 1 model selected 7050 7051 > select add #6/A:187@SG 7052 7053 17 atoms, 7 bonds, 10 residues, 1 model selected 7054 7055 > bond sel 7056 7057 Created 0 bonds 7058 7059 > select clear 7060 7061 > select add #6/A:135@SG 7062 7063 1 atom, 1 residue, 1 model selected 7064 7065 > select add #6/A:187@SG 7066 7067 2 atoms, 2 residues, 1 model selected 7068 7069 > bond sel 7070 7071 Created 1 bond 7072 7073 > select clear 7074 7075 > select add #6/A:186@SG 7076 7077 1 atom, 1 residue, 1 model selected 7078 7079 > select add #6/A:181@SG 7080 7081 2 atoms, 2 residues, 1 model selected 7082 7083 > bond sel 7084 7085 Created 1 bond 7086 7087 > select add #6/A:170@SG 7088 7089 3 atoms, 3 residues, 1 model selected 7090 7091 > select clear 7092 7093 > select add #6/A:170@SG 7094 7095 1 atom, 1 residue, 1 model selected 7096 7097 > select add #6/A:156@SG 7098 7099 2 atoms, 2 residues, 1 model selected 7100 7101 > bond sel 7102 7103 Created 1 bond 7104 7105 > select clear 7106 7107 > select add #6/A:288@SG 7108 7109 1 atom, 1 residue, 1 model selected 7110 7111 > select add #6/A:300@SG 7112 7113 2 atoms, 2 residues, 1 model selected 7114 7115 > bond sel 7116 7117 Created 1 bond 7118 7119 > select clear 7120 7121 > select add #6/A:316@SG 7122 7123 1 atom, 1 residue, 1 model selected 7124 7125 > select add #6/A:302@SG 7126 7127 2 atoms, 2 residues, 1 model selected 7128 7129 > bond sel 7130 7131 Created 1 bond 7132 7133 > select clear 7134 7135 > select add #6/A:286@SG 7136 7137 1 atom, 1 residue, 1 model selected 7138 7139 > select add #6/A:263@SG 7140 7141 2 atoms, 2 residues, 1 model selected 7142 7143 > bond sel 7144 7145 Created 1 bond 7146 7147 > select clear 7148 7149 > select add #6/A:345@SG 7150 7151 1 atom, 1 residue, 1 model selected 7152 7153 > select clear 7154 7155 > select add #6/A:345@SG 7156 7157 1 atom, 1 residue, 1 model selected 7158 7159 > select add #6/A:331@SG 7160 7161 2 atoms, 2 residues, 1 model selected 7162 7163 > bond sel 7164 7165 Created 1 bond 7166 7167 > select clear 7168 7169 > select add #6/A:336@SG 7170 7171 1 atom, 1 residue, 1 model selected 7172 7173 > select add #6/A:322@SG 7174 7175 2 atoms, 2 residues, 1 model selected 7176 7177 > bond sel 7178 7179 Created 1 bond 7180 7181 > select clear 7182 7183 > select add #6/A:83 7184 7185 8 atoms, 7 bonds, 1 residue, 1 model selected 7186 7187 > select add #6/A:82 7188 7189 15 atoms, 14 bonds, 2 residues, 1 model selected 7190 7191 > select subtract #6/A:83 7192 7193 7 atoms, 7 bonds, 1 residue, 1 model selected 7194 7195 > select add #6/A:1 7196 7197 18 atoms, 17 bonds, 2 residues, 1 model selected 7198 7199 > select #6/A:82 7200 7201 7 atoms, 7 bonds, 1 residue, 1 model selected 7202 7203 > select #6/A:1-82 7204 7205 635 atoms, 655 bonds, 82 residues, 1 model selected 7206 7207 > color sel dark sea green target ac 7208 7209 > select clear 7210 7211 > select add #6/A:247 7212 7213 14 atoms, 15 bonds, 1 residue, 1 model selected 7214 7215 > select add #6/A:248 7216 7217 25 atoms, 26 bonds, 2 residues, 1 model selected 7218 7219 > select add #6/A:220 7220 7221 33 atoms, 33 bonds, 3 residues, 1 model selected 7222 7223 > select #6/A:220 7224 7225 8 atoms, 7 bonds, 1 residue, 1 model selected 7226 7227 > select #6/A:220-263 7228 7229 348 atoms, 355 bonds, 44 residues, 1 model selected 7230 7231 > select #6/A:248 7232 7233 11 atoms, 11 bonds, 1 residue, 1 model selected 7234 7235 > select #6/A:248 7236 7237 11 atoms, 11 bonds, 1 residue, 1 model selected 7238 7239 > select #6/A:248 7240 7241 11 atoms, 11 bonds, 1 residue, 1 model selected 7242 7243 > select #6/A:220-248 7244 7245 231 atoms, 236 bonds, 29 residues, 1 model selected 7246 7247 > color sel forest green target ac 7248 7249 > select clear 7250 7251 > select add #6/A:249 7252 7253 8 atoms, 7 bonds, 1 residue, 1 model selected 7254 7255 > select #6/A:250 7256 7257 10 atoms, 10 bonds, 1 residue, 1 model selected 7258 7259 > select #6/A:250-350 7260 7261 793 atoms, 818 bonds, 101 residues, 1 model selected 7262 7263 > select #6/A:249 7264 7265 8 atoms, 7 bonds, 1 residue, 1 model selected 7266 7267 > select #6/A:249-350 7268 7269 801 atoms, 826 bonds, 102 residues, 1 model selected 7270 7271 > color sel light steel blue target ac 7272 7273 > select clear 7274 7275 > select add #6/A:219 7276 7277 7 atoms, 6 bonds, 1 residue, 1 model selected 7278 7279 > select add #6/A:113 7280 7281 14 atoms, 12 bonds, 2 residues, 1 model selected 7282 7283 > select #6/A:219 7284 7285 7 atoms, 6 bonds, 1 residue, 1 model selected 7286 7287 > select #6/A:113-219 7288 7289 808 atoms, 823 bonds, 107 residues, 1 model selected 7290 7291 > color sel dark khaki target ac 7292 7293 > select clear 7294 7295 > select ::name="CYS" 7296 7297 660 atoms, 608 bonds, 110 residues, 6 models selected 7298 7299 > color (#6 & sel) byhetero 7300 7301 > select clear 7302 7303 > select add #6/A:88 7304 7305 6 atoms, 5 bonds, 1 residue, 1 model selected 7306 7307 > color sel byhetero 7308 7309 > select clear 7310 7311 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 7312 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Rlm9.png" width 7313 > 900 height 739 supersample 4 transparentBackground true 7314 7315 > select clear 7316 7317 > color bfactor palette 7318 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue 7319 7320 13680 atoms, 1773 residues, atom bfactor range 32.5 to 191 7321 7322 > select clear 7323 7324 > hide #6 atoms 7325 7326 > select clear 7327 7328 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 7329 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Rlm9-pLDDT.png" 7330 > width 900 height 739 supersample 4 transparentBackground true 7331 7332 > hide #6 models 7333 7334 > open 7335 > /Users/u6290062/Downloads/Htn1_00234/Htn1_00234_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb 7336 7337 Chain information for 7338 Htn1_00234_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #7 7339 --- 7340 Chain | Description 7341 A | No description available 7342 7343 Computing secondary structure 7344 7345 > color #7 white 7346 7347 > select clear 7348 7349 > select #7/A:20 7350 7351 8 atoms, 7 bonds, 1 residue, 1 model selected 7352 Alignment identifier is 7/A 7353 7354 > select #7/A:20 7355 7356 8 atoms, 7 bonds, 1 residue, 1 model selected 7357 7358 > select #7/A:1-20 7359 7360 148 atoms, 156 bonds, 20 residues, 1 model selected 7361 7362 > hide sel cartoons 7363 7364 > select clear 7365 7366 > color #2 #8efa00ff 7367 7368 > show #2 models 7369 7370 > select clear 7371 7372 > ui tool show Matchmaker 7373 7374 > matchmaker #2 to #7 7375 7376 Parameters 7377 --- 7378 Chain pairing | bb 7379 Alignment algorithm | Needleman-Wunsch 7380 Similarity matrix | BLOSUM-62 7381 SS fraction | 0.3 7382 Gap open (HH/SS/other) | 18/18/6 7383 Gap extend | 1 7384 SS matrix | | | H | S | O 7385 ---|---|---|--- 7386 H | 6 | -9 | -6 7387 S | | 6 | -6 7388 O | | | 4 7389 Iteration cutoff | 2 7390 7391 Matchmaker Htn1_00234_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb, 7392 chain A (#7) with stb6.pdb, chain A (#2), sequence alignment score = 103.3 7393 RMSD between 69 pruned atom pairs is 0.971 angstroms; (across all 182 pairs: 7394 9.215) 7395 7396 7397 > select add #7/A:64 7398 7399 8 atoms, 7 bonds, 1 residue, 1 model selected 7400 7401 > select add #7/A:63 7402 7403 16 atoms, 14 bonds, 2 residues, 1 model selected 7404 7405 > select add #7/A:62 7406 7407 23 atoms, 20 bonds, 3 residues, 1 model selected 7408 7409 > setattr #7:62-64 res ss_type 2 7410 7411 Assigning ss_type attribute to 3 items 7412 7413 > select clear 7414 7415 > select add #7/A:45 7416 7417 8 atoms, 7 bonds, 1 residue, 1 model selected 7418 7419 > select add #7/A:43 7420 7421 19 atoms, 18 bonds, 2 residues, 1 model selected 7422 7423 > setattr #7:43-45 res ss_type 2 7424 7425 Assigning ss_type attribute to 3 items 7426 7427 > select clear 7428 7429 > hide #2 models 7430 7431 > select ::name="CYS" 7432 7433 744 atoms, 678 bonds, 124 residues, 7 models selected 7434 7435 > show sel & #7 atoms 7436 7437 > color (#7 & sel) byhetero 7438 7439 > select clear 7440 7441 > select add #7/A:281@SG 7442 7443 1 atom, 1 residue, 1 model selected 7444 7445 > select add #7/A:271@SG 7446 7447 2 atoms, 2 residues, 1 model selected 7448 7449 > bond sel 7450 7451 Created 1 bond 7452 7453 > select add #7/A:269@SG 7454 7455 3 atoms, 3 residues, 1 model selected 7456 7457 > select add #7/A:249@SG 7458 7459 4 atoms, 4 residues, 1 model selected 7460 7461 > select add #7/A:258@SG 7462 7463 5 atoms, 5 residues, 1 model selected 7464 7465 > select add #7/A:246@SG 7466 7467 6 atoms, 6 residues, 1 model selected 7468 7469 > select add #7/A:29@SG 7470 7471 7 atoms, 7 residues, 1 model selected 7472 7473 > select add #7/A:59@SG 7474 7475 8 atoms, 8 residues, 1 model selected 7476 7477 > bond sel 7478 7479 Created 3 bonds 7480 7481 > select clear 7482 7483 > select add #7/A:34@SG 7484 7485 1 atom, 1 residue, 1 model selected 7486 7487 > select add #7/A:68@SG 7488 7489 2 atoms, 2 residues, 1 model selected 7490 7491 > bond sel 7492 7493 Created 1 bond 7494 7495 > select add #7/A:281 7496 7497 8 atoms, 5 bonds, 3 residues, 1 model selected 7498 7499 > select #7/A:31 7500 7501 6 atoms, 5 bonds, 1 residue, 1 model selected 7502 7503 > select #7/A:1-31 7504 7505 225 atoms, 235 bonds, 31 residues, 1 model selected 7506 7507 > hide sel cartoons 7508 7509 > select clear 7510 7511 > select #7/A:31 7512 7513 6 atoms, 5 bonds, 1 residue, 1 model selected 7514 7515 > select #7/A:1-31 7516 7517 225 atoms, 235 bonds, 31 residues, 1 model selected 7518 7519 > show sel cartoons 7520 7521 > select clear 7522 7523 > select add #7/A:26 7524 7525 5 atoms, 4 bonds, 1 residue, 1 model selected 7526 7527 > select add #7/A:27 7528 7529 11 atoms, 9 bonds, 2 residues, 1 model selected 7530 7531 > select add #7/A:28 7532 7533 19 atoms, 16 bonds, 3 residues, 1 model selected 7534 7535 > select add #7/A:29 7536 7537 25 atoms, 21 bonds, 4 residues, 1 model selected 7538 7539 > select clear 7540 7541 > select add #7/A:199@SG 7542 7543 1 atom, 1 residue, 1 model selected 7544 7545 > select add #7/A:148@SG 7546 7547 2 atoms, 2 residues, 1 model selected 7548 7549 > select add #7/A:117@SG 7550 7551 3 atoms, 1 bond, 3 residues, 1 model selected 7552 7553 > bond sel 7554 7555 Created 1 bond 7556 7557 > select clear 7558 7559 > select #7/A:117@SG 7560 7561 1 atom, 1 residue, 1 model selected 7562 7563 > select add #7/A:166@SG 7564 7565 2 atoms, 2 residues, 1 model selected 7566 7567 > bond sel 7568 7569 Created 1 bond 7570 7571 > select clear 7572 7573 > select add #7/A:26 7574 7575 5 atoms, 4 bonds, 1 residue, 1 model selected 7576 7577 > select add #7/A:28 7578 7579 13 atoms, 11 bonds, 2 residues, 1 model selected 7580 7581 > select add #7/A:29 7582 7583 19 atoms, 16 bonds, 3 residues, 1 model selected 7584 7585 > setattr #2/A:26-29 res ss_type 0 7586 7587 Assigning ss_type attribute to 4 items 7588 7589 > setattr #7:26-29 res ss_type 0 7590 7591 Assigning ss_type attribute to 4 items 7592 7593 > select clear 7594 7595 > select add #7/A:1 7596 7597 10 atoms, 10 bonds, 1 residue, 1 model selected 7598 7599 > select add #7/A:27 7600 7601 16 atoms, 15 bonds, 2 residues, 1 model selected 7602 7603 > select #7/A:27 7604 7605 6 atoms, 5 bonds, 1 residue, 1 model selected 7606 7607 > select #7/A:1-27 7608 7609 199 atoms, 209 bonds, 27 residues, 1 model selected 7610 7611 > hide sel cartoons 7612 7613 > select clear 7614 7615 > select add #7/A:282 7616 7617 9 atoms, 8 bonds, 1 residue, 1 model selected 7618 7619 > select add #7/A:291 7620 7621 13 atoms, 11 bonds, 2 residues, 1 model selected 7622 7623 > select #7/A:282-283 7624 7625 16 atoms, 16 bonds, 2 residues, 1 model selected 7626 7627 > select #7/A:282-291 7628 7629 81 atoms, 81 bonds, 10 residues, 1 model selected 7630 7631 > hide sel cartoons 7632 7633 > select clear 7634 7635 > select add #7/A:86 7636 7637 4 atoms, 3 bonds, 1 residue, 1 model selected 7638 7639 > select #7/A:86 7640 7641 4 atoms, 3 bonds, 1 residue, 1 model selected 7642 7643 > select #7/A:1-86 7644 7645 655 atoms, 682 bonds, 86 residues, 1 model selected 7646 7647 > color sel dark sea green target ac 7648 7649 > select clear 7650 7651 > select add #7/A:208 7652 7653 11 atoms, 10 bonds, 1 residue, 1 model selected 7654 7655 > select add #7/A:238 7656 7657 25 atoms, 25 bonds, 2 residues, 1 model selected 7658 7659 > select #7/A:208 7660 7661 11 atoms, 10 bonds, 1 residue, 1 model selected 7662 7663 > select #7/A:208-238 7664 7665 256 atoms, 260 bonds, 31 residues, 1 model selected 7666 7667 > color sel forest green target ac 7668 7669 > select clear 7670 7671 > select add #7/A:239 7672 7673 8 atoms, 7 bonds, 1 residue, 1 model selected 7674 7675 > select #7/A:239 7676 7677 8 atoms, 7 bonds, 1 residue, 1 model selected 7678 7679 > select #7/A:239-291 7680 7681 391 atoms, 400 bonds, 53 residues, 1 model selected 7682 7683 > color sel light steel blue target ac 7684 7685 > select clear 7686 7687 > select add #7/A:208 7688 7689 11 atoms, 10 bonds, 1 residue, 1 model selected 7690 7691 > select add #7/A:139 7692 7693 22 atoms, 21 bonds, 2 residues, 1 model selected 7694 7695 > select #7/A:139-140 7696 7697 19 atoms, 19 bonds, 2 residues, 1 model selected 7698 7699 > select #7/A:139-208 7700 7701 558 atoms, 577 bonds, 70 residues, 1 model selected 7702 7703 > color sel dark khaki target ac 7704 7705 > select clear 7706 7707 > select ::name="CYS" 7708 7709 744 atoms, 685 bonds, 124 residues, 7 models selected 7710 7711 > color (#7 & sel) byhetero 7712 7713 > select clear 7714 7715 > select ::name="ASN" 7716 7717 1000 atoms, 881 bonds, 125 residues, 7 models selected 7718 7719 > select clear 7720 7721 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 7722 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Htn1.png" width 7723 > 900 height 739 supersample 4 transparentBackground true 7724 7725 > color bfactor palette 7726 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue 7727 7728 15930 atoms, 2064 residues, atom bfactor range 32.5 to 191 7729 7730 > select clear 7731 7732 > hide #7 atoms 7733 7734 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 7735 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Htn1-pLDDT.png" 7736 > width 900 height 739 supersample 4 transparentBackground true 7737 7738 > select clear 7739 7740 > hide #7 models 7741 7742 > open 7743 > /Users/u6290062/Downloads/ghwak7A_70d62/ghwak7A_70d62_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb 7744 7745 Chain information for 7746 ghwak7A_70d62_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb #8 7747 --- 7748 Chain | Description 7749 A | No description available 7750 7751 Computing secondary structure 7752 7753 > open 7754 > /Users/u6290062/Downloads/SlWAK1_f88fd/SlWAK1_f88fd_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb 7755 7756 Chain information for 7757 SlWAK1_f88fd_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb #9 7758 --- 7759 Chain | Description 7760 A | No description available 7761 7762 Computing secondary structure 7763 7764 > hide #8 models 7765 7766 > hide #9 models 7767 7768 > open 7769 > /Users/u6290062/Downloads/rfo1_1159a_0/rfo1_1159a_0_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb 7770 7771 Chain information for 7772 rfo1_1159a_0_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #10 7773 --- 7774 Chain | Description 7775 A | No description available 7776 7777 Computing secondary structure 7778 7779 > hide #10 models 7780 7781 > open 7782 > /Users/u6290062/Downloads/BrWAK1_96657/BrWAK1_96657_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb 7783 7784 Chain information for 7785 BrWAK1_96657_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb #11 7786 --- 7787 Chain | Description 7788 A | No description available 7789 7790 Computing secondary structure 7791 7792 > hide #11 models 7793 7794 > open 7795 > /Users/u6290062/Downloads/AtWAK1_f4e1e/AtWAK1_f4e1e_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb 7796 7797 Chain information for 7798 AtWAK1_f4e1e_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb #12 7799 --- 7800 Chain | Description 7801 A | No description available 7802 7803 Computing secondary structure 7804 7805 > hide #12 models 7806 7807 > open 7808 > /Users/u6290062/Downloads/OsWAK1_3328c/OsWAK1_3328c_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb 7809 7810 Chain information for 7811 OsWAK1_3328c_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #13 7812 --- 7813 Chain | Description 7814 A | No description available 7815 7816 Computing secondary structure 7817 7818 > hide #13 models 7819 7820 > open 7821 > /Users/u6290062/Downloads/OsDEES1_24a01/OsDEES1_24a01_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb 7822 7823 Chain information for 7824 OsDEES1_24a01_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb #14 7825 --- 7826 Chain | Description 7827 A | No description available 7828 7829 Computing secondary structure 7830 7831 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 7832 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Immunity- 7833 > WAKs.cxs" includeMaps true 7834 7835 > hide #14 models 7836 7837 > show #2 models 7838 7839 > select add #2/A:79 7840 7841 8 atoms, 7 bonds, 1 residue, 1 model selected 7842 7843 > select add #2/A:80 7844 7845 16 atoms, 14 bonds, 2 residues, 1 model selected 7846 7847 > select subtract #2/A:79 7848 7849 8 atoms, 7 bonds, 1 residue, 1 model selected 7850 7851 > select add #2/A:201 7852 7853 12 atoms, 10 bonds, 2 residues, 1 model selected 7854 7855 > select #2/A:80-81 7856 7857 19 atoms, 18 bonds, 2 residues, 1 model selected 7858 7859 > select #2/A:80-201 7860 7861 946 atoms, 969 bonds, 122 residues, 1 model selected 7862 7863 > hide sel cartoons 7864 7865 > select clear 7866 7867 > hide #2 atoms 7868 7869 > select clear 7870 7871 > select #2/A:6-7 7872 7873 12 atoms, 11 bonds, 2 residues, 1 model selected 7874 7875 > select #2/A:6-79 7876 7877 559 atoms, 577 bonds, 74 residues, 1 model selected 7878 7879 > select #2/A:6-79,202-206 7880 7881 609 atoms, 629 bonds, 79 residues, 1 model selected 7882 7883 > show sel atoms 7884 7885 > select subtract #2/A:23 7886 7887 595 atoms, 612 bonds, 78 residues, 1 model selected 7888 7889 > select add #2/A:23 7890 7891 609 atoms, 627 bonds, 79 residues, 1 model selected 7892 7893 > select subtract #2/A:22 7894 7895 598 atoms, 615 bonds, 78 residues, 1 model selected 7896 7897 > select subtract #2/A:43 7898 7899 590 atoms, 606 bonds, 77 residues, 1 model selected 7900 7901 > select subtract #2/A:52 7902 7903 582 atoms, 597 bonds, 76 residues, 1 model selected 7904 7905 > select add #2/A:52 7906 7907 590 atoms, 604 bonds, 77 residues, 1 model selected 7908 7909 > select subtract #2/A:53 7910 7911 582 atoms, 596 bonds, 76 residues, 1 model selected 7912 7913 > select add #2/A:53 7914 7915 590 atoms, 603 bonds, 77 residues, 1 model selected 7916 7917 > select subtract #2/A:75 7918 7919 582 atoms, 594 bonds, 76 residues, 1 model selected 7920 7921 > select subtract #2/A:206@CB 7922 7923 581 atoms, 592 bonds, 76 residues, 1 model selected 7924 7925 > select add #2/A:206@CB 7926 7927 582 atoms, 592 bonds, 76 residues, 1 model selected 7928 7929 > select subtract #2/A:18 7930 7931 574 atoms, 584 bonds, 75 residues, 1 model selected 7932 7933 > select add #2/A:18 7934 7935 582 atoms, 591 bonds, 76 residues, 1 model selected 7936 7937 > select clear 7938 7939 > select add #2/A:22 7940 7941 11 atoms, 11 bonds, 1 residue, 1 model selected 7942 7943 > select add #2/A:206 7944 7945 25 atoms, 26 bonds, 2 residues, 1 model selected 7946 7947 > select add #2/A:42 7948 7949 34 atoms, 34 bonds, 3 residues, 1 model selected 7950 7951 > select add #2/A:41 7952 7953 45 atoms, 45 bonds, 4 residues, 1 model selected 7954 7955 > select add #2/A:43 7956 7957 53 atoms, 52 bonds, 5 residues, 1 model selected 7958 7959 > select subtract #2/A:42@CB 7960 7961 52 atoms, 50 bonds, 5 residues, 1 model selected 7962 7963 > select subtract #2/A:42@OE1 7964 7965 51 atoms, 48 bonds, 5 residues, 1 model selected 7966 7967 > select subtract #2/A:42@OE2 7968 7969 50 atoms, 47 bonds, 5 residues, 1 model selected 7970 7971 > select add #2/A:52 7972 7973 58 atoms, 54 bonds, 6 residues, 1 model selected 7974 7975 > select subtract #2/A:52 7976 7977 50 atoms, 47 bonds, 5 residues, 1 model selected 7978 7979 > select add #2/A:53 7980 7981 58 atoms, 54 bonds, 6 residues, 1 model selected 7982 7983 > select add #2/A:65 7984 7985 66 atoms, 61 bonds, 7 residues, 1 model selected 7986 7987 > select add #2/A:75 7988 7989 74 atoms, 68 bonds, 8 residues, 1 model selected 7990 7991 > select add #2/A:68 7992 7993 82 atoms, 75 bonds, 9 residues, 1 model selected 7994 7995 > select add #2/A:18 7996 7997 90 atoms, 82 bonds, 10 residues, 1 model selected 7998 7999 > select add #2/A:51 8000 8001 97 atoms, 89 bonds, 11 residues, 1 model selected 8002 8003 > select ~sel & ##selected 8004 8005 1525 atoms, 1580 bonds, 196 residues, 1 model selected 8006 8007 > hide sel atoms 8008 8009 > select clear 8010 8011 > color #2 byhetero 8012 8013 > select clear 8014 8015 > show #2 cartoons 8016 8017 > select clear 8018 8019 > show #2 atoms 8020 8021 > hide #2 atoms 8022 8023 > color #2 #ebebebff 8024 8025 > select clear 8026 8027 > show #2 surfaces 8028 8029 > hide #!2 surfaces 8030 8031 > select clear 8032 8033 > show #10 models 8034 8035 > hide #10 models 8036 8037 > show #11 models 8038 8039 > hide #11 models 8040 8041 > show #8 models 8042 8043 > hide #8 models 8044 8045 > show #9 models 8046 8047 > hide #9 models 8048 8049 > show #10 models 8050 8051 > hide #10 models 8052 8053 > show #13 models 8054 8055 > show #14 models 8056 8057 > hide #14 models 8058 8059 > select clear 8060 8061 > ui tool show Matchmaker 8062 8063 > matchmaker #13 to #2 8064 8065 Parameters 8066 --- 8067 Chain pairing | bb 8068 Alignment algorithm | Needleman-Wunsch 8069 Similarity matrix | BLOSUM-62 8070 SS fraction | 0.3 8071 Gap open (HH/SS/other) | 18/18/6 8072 Gap extend | 1 8073 SS matrix | | | H | S | O 8074 ---|---|---|--- 8075 H | 6 | -9 | -6 8076 S | | 6 | -6 8077 O | | | 4 8078 Iteration cutoff | 2 8079 8080 Matchmaker stb6.pdb, chain A (#2) with 8081 OsWAK1_3328c_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb, chain A 8082 (#13), sequence alignment score = 203.4 8083 RMSD between 88 pruned atom pairs is 1.029 angstroms; (across all 174 pairs: 8084 5.037) 8085 8086 8087 > select clear 8088 8089 > select add #13/A:41 8090 8091 7 atoms, 7 bonds, 1 residue, 1 model selected 8092 8093 > select add #13/A:42 8094 8095 12 atoms, 11 bonds, 2 residues, 1 model selected 8096 8097 > select add #13/A:43 8098 8099 23 atoms, 22 bonds, 3 residues, 1 model selected 8100 8101 > setattr #13:41-43 res ss_type 2 8102 8103 Assigning ss_type attribute to 3 items 8104 8105 > select clear 8106 8107 > hide #!2 models 8108 8109 > select clear 8110 8111 > select add #13/A:77 8112 8113 11 atoms, 10 bonds, 1 residue, 1 model selected 8114 8115 > select add #13/A:76 8116 8117 20 atoms, 18 bonds, 2 residues, 1 model selected 8118 8119 > select #13/A:77 8120 8121 11 atoms, 10 bonds, 1 residue, 1 model selected 8122 8123 > select #13/A:77 8124 8125 11 atoms, 10 bonds, 1 residue, 1 model selected 8126 8127 > select #13/A:76 8128 8129 9 atoms, 8 bonds, 1 residue, 1 model selected 8130 8131 > select add #13/A:96 8132 8133 17 atoms, 15 bonds, 2 residues, 1 model selected 8134 8135 > setattr #13:76-96 res ss_type 0 8136 8137 Assigning ss_type attribute to 21 items 8138 8139 > select clear 8140 8141 > select add #13/A:175 8142 8143 8 atoms, 7 bonds, 1 residue, 1 model selected 8144 8145 > select add #13/A:174 8146 8147 13 atoms, 11 bonds, 2 residues, 1 model selected 8148 8149 > select add #13/A:173 8150 8151 20 atoms, 18 bonds, 3 residues, 1 model selected 8152 8153 > setattr #13:173-175 res ss_type 0 8154 8155 Assigning ss_type attribute to 3 items 8156 8157 > select clear 8158 8159 > select ::name="GLN" 8160 8161 954 atoms, 853 bonds, 106 residues, 14 models selected 8162 8163 > select ::name="CYS" 8164 8165 1644 atoms, 1440 bonds, 274 residues, 14 models selected 8166 8167 > show sel & #13 atoms 8168 8169 > select clear 8170 8171 > select add #13/A:86@SG 8172 8173 1 atom, 1 residue, 1 model selected 8174 8175 > select add #13/A:135@SG 8176 8177 2 atoms, 2 residues, 1 model selected 8178 8179 > select add #13/A:160@SG 8180 8181 3 atoms, 3 residues, 1 model selected 8182 8183 > select add #13/A:116@SG 8184 8185 4 atoms, 4 residues, 1 model selected 8186 8187 > bond sel 8188 8189 Created 2 bonds 8190 8191 > select clear 8192 8193 > select add #13/A:47@SG 8194 8195 1 atom, 1 residue, 1 model selected 8196 8197 > select add #13/A:7@SG 8198 8199 2 atoms, 2 residues, 1 model selected 8200 8201 > bond sel 8202 8203 Created 1 bond 8204 8205 > select add #13/A:2@SG 8206 8207 3 atoms, 3 residues, 1 model selected 8208 8209 > select add #13/A:38@SG 8210 8211 4 atoms, 4 residues, 1 model selected 8212 8213 > bond sel 8214 8215 Created 1 bond 8216 8217 > select clear 8218 8219 > select add #13/A:236@SG 8220 8221 1 atom, 1 residue, 1 model selected 8222 8223 > select add #13/A:226@SG 8224 8225 2 atoms, 2 residues, 1 model selected 8226 8227 > bond sel 8228 8229 Created 1 bond 8230 8231 > select add #13/A:205@SG 8232 8233 3 atoms, 3 residues, 1 model selected 8234 8235 > select add #13/A:224@SG 8236 8237 4 atoms, 4 residues, 1 model selected 8238 8239 > bond sel 8240 8241 Created 1 bond 8242 8243 > select add #13/A:202@SG 8244 8245 5 atoms, 5 residues, 1 model selected 8246 8247 > select subtract #13/A:202@SG 8248 8249 4 atoms, 4 residues, 1 model selected 8250 8251 > select add #13/A:202@SG 8252 8253 5 atoms, 5 residues, 1 model selected 8254 8255 > select add #13/A:212@SG 8256 8257 6 atoms, 6 residues, 1 model selected 8258 8259 > bond sel 8260 8261 Created 1 bond 8262 8263 > select clear 8264 8265 > select add #13/A:194 8266 8267 14 atoms, 15 bonds, 1 residue, 1 model selected 8268 8269 > select add #13/A:168 8270 8271 22 atoms, 22 bonds, 2 residues, 1 model selected 8272 Alignment identifier is 13/A 8273 8274 > select #13/A:168 8275 8276 8 atoms, 7 bonds, 1 residue, 1 model selected 8277 8278 > select #13/A:168-194 8279 8280 218 atoms, 227 bonds, 27 residues, 1 model selected 8281 8282 > color sel forest green target ac 8283 8284 > select clear 8285 8286 > select add #13/A:75 8287 8288 10 atoms, 10 bonds, 1 residue, 1 model selected 8289 8290 > select add #13/A:76 8291 8292 19 atoms, 18 bonds, 2 residues, 1 model selected 8293 8294 > select subtract #13/A:75 8295 8296 9 atoms, 8 bonds, 1 residue, 1 model selected 8297 8298 > select add #13/A:107 8299 8300 17 atoms, 15 bonds, 2 residues, 1 model selected 8301 8302 > select #13/A:76 8303 8304 9 atoms, 8 bonds, 1 residue, 1 model selected 8305 8306 > select #13/A:76-107 8307 8308 230 atoms, 232 bonds, 32 residues, 1 model selected 8309 8310 > color sel light gray target ac 8311 8312 > select clear 8313 8314 > select add #13/A:108 8315 8316 11 atoms, 10 bonds, 1 residue, 1 model selected 8317 8318 > select add #13/A:166 8319 8320 18 atoms, 17 bonds, 2 residues, 1 model selected 8321 8322 > select subtract #13/A:166 8323 8324 11 atoms, 10 bonds, 1 residue, 1 model selected 8325 8326 > select add #13/A:167 8327 8328 18 atoms, 16 bonds, 2 residues, 1 model selected 8329 8330 > select #13/A:108 8331 8332 11 atoms, 10 bonds, 1 residue, 1 model selected 8333 8334 > select #13/A:108-167 8335 8336 453 atoms, 466 bonds, 60 residues, 1 model selected 8337 8338 > color sel dark khaki target ac 8339 8340 > select clear 8341 8342 > select add #13/A:195 8343 8344 9 atoms, 8 bonds, 1 residue, 1 model selected 8345 8346 > select #13/A:195 8347 8348 9 atoms, 8 bonds, 1 residue, 1 model selected 8349 8350 > select #13/A:195-243 8351 8352 348 atoms, 354 bonds, 49 residues, 1 model selected 8353 8354 > color sel light steel blue target ac 8355 8356 > select clear 8357 8358 > select add #13/A:75 8359 8360 10 atoms, 10 bonds, 1 residue, 1 model selected 8361 8362 > select #13/A:74-75 8363 8364 15 atoms, 15 bonds, 2 residues, 1 model selected 8365 8366 > select #13/A:1-75 8367 8368 555 atoms, 573 bonds, 75 residues, 1 model selected 8369 8370 > color sel dark sea green target ac 8371 8372 > select clear 8373 8374 > select ::name="CYS" 8375 8376 1644 atoms, 1447 bonds, 274 residues, 14 models selected 8377 8378 > color (#13 & sel) byhetero 8379 8380 > select clear 8381 8382 > select #13/A:195 8383 8384 9 atoms, 8 bonds, 1 residue, 1 model selected 8385 8386 > color sel forest green target ac 8387 8388 > select clear 8389 8390 > select ::name="ASN" 8391 8392 2336 atoms, 2057 bonds, 292 residues, 14 models selected 8393 8394 > select clear 8395 8396 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 8397 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/OsWAK1.png" 8398 > width 900 height 739 supersample 4 transparentBackground true 8399 8400 > select clear 8401 8402 > color bfactor palette 8403 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue 8404 8405 32381 atoms, 4250 residues, 1 surfaces, atom bfactor range 28.5 to 191 8406 8407 > hide #13 atoms 8408 8409 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 8410 > AustralianNationalUniversity/Documents/Figures/Immunity 8411 > WAKs/OsWAK1-pLDDT.png" width 900 height 739 supersample 4 8412 > transparentBackground true 8413 8414 > hide #13 models 8415 8416 > show #14 models 8417 8418 > close #14 8419 8420 > select clear 8421 8422 > show #11 models 8423 8424 > color #11 darkgrey 8425 8426 > select clear 8427 8428 > show #!2 models 8429 8430 > color #2 #00fdffff 8431 8432 > select clear 8433 8434 > ui tool show Matchmaker 8435 8436 > matchmaker #!2 to #11 8437 8438 Parameters 8439 --- 8440 Chain pairing | bb 8441 Alignment algorithm | Needleman-Wunsch 8442 Similarity matrix | BLOSUM-62 8443 SS fraction | 0.3 8444 Gap open (HH/SS/other) | 18/18/6 8445 Gap extend | 1 8446 SS matrix | | | H | S | O 8447 ---|---|---|--- 8448 H | 6 | -9 | -6 8449 S | | 6 | -6 8450 O | | | 4 8451 Iteration cutoff | 2 8452 8453 Matchmaker 8454 BrWAK1_96657_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb, chain A 8455 (#11) with stb6.pdb, chain A (#2), sequence alignment score = 102.1 8456 RMSD between 31 pruned atom pairs is 0.917 angstroms; (across all 168 pairs: 8457 14.481) 8458 8459 8460 > select clear 8461 8462 > select add #11/A:43 8463 8464 8 atoms, 7 bonds, 1 residue, 1 model selected 8465 8466 > select add #11/A:45 8467 8468 19 atoms, 18 bonds, 2 residues, 1 model selected 8469 8470 > setattr #11:43-45 res ss_type 0 8471 8472 Assigning ss_type attribute to 3 items 8473 8474 > setattr #11:43-45 res ss_type 2 8475 8476 Assigning ss_type attribute to 3 items 8477 8478 > select clear 8479 8480 > select add #11/A:33 8481 8482 11 atoms, 11 bonds, 1 residue, 1 model selected 8483 8484 > select add #11/A:31 8485 8486 18 atoms, 18 bonds, 2 residues, 1 model selected 8487 8488 > setattr #11:31-33 res ss_type 0 8489 8490 Assigning ss_type attribute to 3 items 8491 8492 > select clear 8493 8494 > select #11/A:33 8495 8496 11 atoms, 11 bonds, 1 residue, 1 model selected 8497 Alignment identifier is 11/A 8498 8499 > select #11/A:34 8500 8501 8 atoms, 7 bonds, 1 residue, 1 model selected 8502 8503 > select #11/A:34-35 8504 8505 16 atoms, 15 bonds, 2 residues, 1 model selected 8506 8507 > select #11/A:33-34 8508 8509 19 atoms, 19 bonds, 2 residues, 1 model selected 8510 8511 > select #11/A:33-35 8512 8513 27 atoms, 27 bonds, 3 residues, 1 model selected 8514 8515 > select #2/A:194 8516 8517 12 atoms, 12 bonds, 1 residue, 1 model selected 8518 8519 > select #2/A:194-195 8520 8521 21 atoms, 21 bonds, 2 residues, 1 model selected 8522 8523 > select clear 8524 8525 > select #11/A:33 8526 8527 11 atoms, 11 bonds, 1 residue, 1 model selected 8528 8529 > select #11/A:33-35 8530 8531 27 atoms, 27 bonds, 3 residues, 1 model selected 8532 8533 > select add #11/A:38 8534 8535 35 atoms, 34 bonds, 4 residues, 1 model selected 8536 8537 > select #11/A:33-34 8538 8539 19 atoms, 19 bonds, 2 residues, 1 model selected 8540 8541 > select #11/A:33-40 8542 8543 68 atoms, 68 bonds, 8 residues, 1 model selected 8544 8545 > setattr #11:33-40 res ss_type 2 8546 8547 Assigning ss_type attribute to 8 items 8548 8549 > select clear 8550 8551 > setattr #11:33-40 res ss_type 0 8552 8553 Assigning ss_type attribute to 8 items 8554 8555 > select add #11/A:36 8556 8557 7 atoms, 6 bonds, 1 residue, 1 model selected 8558 8559 > select add #11/A:38 8560 8561 15 atoms, 13 bonds, 2 residues, 1 model selected 8562 8563 > setattr #11:36-38 res ss_type 2 8564 8565 Assigning ss_type attribute to 3 items 8566 8567 > select clear 8568 8569 > select #11/A:35 8570 8571 8 atoms, 7 bonds, 1 residue, 1 model selected 8572 8573 > select add #11/A:32 8574 8575 14 atoms, 12 bonds, 2 residues, 1 model selected 8576 8577 > setattr #11:32-35 res ss_type 2 8578 8579 Assigning ss_type attribute to 4 items 8580 8581 > setattr #11:32-35 res ss_type 0 8582 8583 Assigning ss_type attribute to 4 items 8584 8585 > setattr #11:36-38 res ss_type 2 8586 8587 Assigning ss_type attribute to 3 items 8588 8589 > select clear 8590 8591 > select add #11/A:32 8592 8593 6 atoms, 5 bonds, 1 residue, 1 model selected 8594 8595 > select add #11/A:34 8596 8597 14 atoms, 12 bonds, 2 residues, 1 model selected 8598 8599 > select #11/A:33 8600 8601 11 atoms, 11 bonds, 1 residue, 1 model selected 8602 8603 > select #11/A:33-35 8604 8605 27 atoms, 27 bonds, 3 residues, 1 model selected 8606 8607 > setattr #11:32-34 res ss_type 2 8608 8609 Assigning ss_type attribute to 3 items 8610 8611 > select clear 8612 8613 > setattr #11:31-34 res ss_type 2 8614 8615 Assigning ss_type attribute to 4 items 8616 8617 > select clear 8618 8619 > select add #11/A:19 8620 8621 11 atoms, 11 bonds, 1 residue, 1 model selected 8622 8623 > select add #11/A:21 8624 8625 18 atoms, 17 bonds, 2 residues, 1 model selected 8626 8627 > setattr #11:19-21 res ss_type 2 8628 8629 Assigning ss_type attribute to 3 items 8630 8631 > select clear 8632 8633 > hide #!2 models 8634 8635 > select clear 8636 8637 > select add #11/A:305 8638 8639 9 atoms, 8 bonds, 1 residue, 1 model selected 8640 8641 > select #11/A:305 8642 8643 9 atoms, 8 bonds, 1 residue, 1 model selected 8644 8645 > select #11/A:305-311 8646 8647 58 atoms, 60 bonds, 7 residues, 1 model selected 8648 8649 > hide sel cartoons 8650 8651 > select clear 8652 8653 > select ::name="CYS" 8654 8655 1512 atoms, 1336 bonds, 252 residues, 13 models selected 8656 8657 > show sel & #11 atoms 8658 8659 > color (#11 & sel) byelement 8660 8661 > select clear 8662 8663 > select add #11/A:10@SG 8664 8665 1 atom, 1 residue, 1 model selected 8666 8667 > select add #11/A:37@SG 8668 8669 2 atoms, 2 residues, 1 model selected 8670 8671 > select add #11/A:6@SG 8672 8673 3 atoms, 3 residues, 1 model selected 8674 8675 > select add #11/A:25@SG 8676 8677 4 atoms, 4 residues, 1 model selected 8678 8679 > select add #11/A:221@SG 8680 8681 5 atoms, 5 residues, 1 model selected 8682 8683 > select add #11/A:239@SG 8684 8685 6 atoms, 6 residues, 1 model selected 8686 8687 > select add #11/A:257@SG 8688 8689 7 atoms, 7 residues, 1 model selected 8690 8691 > select add #11/A:241@SG 8692 8693 8 atoms, 8 residues, 1 model selected 8694 8695 > select add #11/A:212@SG 8696 8697 9 atoms, 9 residues, 1 model selected 8698 8699 > select add #11/A:228@SG 8700 8701 10 atoms, 10 residues, 1 model selected 8702 8703 > select add #11/A:278@SG 8704 8705 11 atoms, 11 residues, 1 model selected 8706 8707 > select add #11/A:263@SG 8708 8709 12 atoms, 12 residues, 1 model selected 8710 8711 > select clear 8712 8713 > select S 8714 8715 288 atoms, 68 bonds, 288 residues, 13 models selected 8716 8717 > bond sel 8718 8719 Created 55 bonds 8720 8721 > select clear 8722 8723 > select add #11/A:206 8724 8725 6 atoms, 5 bonds, 1 residue, 1 model selected 8726 8727 > select add #11/A:179 8728 8729 14 atoms, 12 bonds, 2 residues, 1 model selected 8730 8731 > color sel forest green target ac 8732 8733 > select #11/A:179 8734 8735 8 atoms, 7 bonds, 1 residue, 1 model selected 8736 8737 > select #11/A:179-206 8738 8739 233 atoms, 239 bonds, 28 residues, 1 model selected 8740 8741 > color sel forest green target ac 8742 8743 > select clear 8744 8745 > select add #11/A:94 8746 8747 8 atoms, 7 bonds, 1 residue, 1 model selected 8748 8749 > select add #11/A:93 8750 8751 16 atoms, 14 bonds, 2 residues, 1 model selected 8752 8753 > select subtract #11/A:94 8754 8755 8 atoms, 7 bonds, 1 residue, 1 model selected 8756 8757 > select add #11/A:64 8758 8759 16 atoms, 14 bonds, 2 residues, 1 model selected 8760 8761 > select subtract #11/A:64 8762 8763 8 atoms, 7 bonds, 1 residue, 1 model selected 8764 8765 > select add #11/A:65 8766 8767 14 atoms, 12 bonds, 2 residues, 1 model selected 8768 8769 > select #11/A:93 8770 8771 8 atoms, 7 bonds, 1 residue, 1 model selected 8772 8773 > select #11/A:65-93 8774 8775 220 atoms, 223 bonds, 29 residues, 1 model selected 8776 8777 > color sel light gray target ac 8778 8779 > select clear 8780 8781 > select add #11/A:64 8782 8783 8 atoms, 7 bonds, 1 residue, 1 model selected 8784 8785 > select #11/A:64 8786 8787 8 atoms, 7 bonds, 1 residue, 1 model selected 8788 8789 > select #11/A:1-64 8790 8791 513 atoms, 527 bonds, 64 residues, 1 model selected 8792 8793 > color sel dark sea green target ac 8794 8795 > select clear 8796 8797 > select add #11/A:94 8798 8799 8 atoms, 7 bonds, 1 residue, 1 model selected 8800 8801 > select add #11/A:178 8802 8803 17 atoms, 15 bonds, 2 residues, 1 model selected 8804 8805 > select #11/A:94 8806 8807 8 atoms, 7 bonds, 1 residue, 1 model selected 8808 8809 > select #11/A:94-178 8810 8811 624 atoms, 641 bonds, 85 residues, 1 model selected 8812 8813 > color sel dark khaki target ac 8814 8815 > select clear 8816 8817 > select add #11/A:207 8818 8819 8 atoms, 7 bonds, 1 residue, 1 model selected 8820 8821 > select #11/A:207 8822 8823 8 atoms, 7 bonds, 1 residue, 1 model selected 8824 8825 > select #11/A:207-311 8826 8827 802 atoms, 819 bonds, 105 residues, 1 model selected 8828 8829 > color sel light steel blue target ac 8830 8831 > select clear 8832 8833 > select ::name="CYS" 8834 8835 1512 atoms, 1391 bonds, 252 residues, 13 models selected 8836 8837 > color (#11 & sel) byhetero 8838 8839 > select clear 8840 8841 > select #11/A:3 8842 8843 11 atoms, 10 bonds, 1 residue, 1 model selected 8844 8845 > select #11/A:1-3 8846 8847 27 atoms, 27 bonds, 3 residues, 1 model selected 8848 8849 > hide sel cartoons 8850 8851 > select clear 8852 8853 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 8854 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/BrWAK1.png" 8855 > width 900 height 739 supersample 4 transparentBackground true 8856 8857 > select clear 8858 8859 > color bfactor palette 8860 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue 8861 8862 29737 atoms, 3887 residues, 1 surfaces, atom bfactor range 28.5 to 191 8863 8864 > select clear 8865 8866 > save "/Users/u6290062/Library/CloudStorage/OneDrive- 8867 > AustralianNationalUniversity/Documents/Figures/Immunity 8868 > WAKs/BrWAK1-pLDDT.png" width 900 height 739 supersample 4 8869 > transparentBackground true 8870 8871 > select clear 8872 8873 > hide #11 models 8874 8875 > show #12 models 8876 8877 > color #12 #008f00ff 8878 8879 > select clear 8880 8881 > show #!2 models 8882 8883 > color #2 #ebebebff 8884 8885 > select clear 8886 8887 > ui tool show "Render/Select by Attribute" 8888 8889 > ui tool show Matchmaker 8890 8891 > matchmaker #12 to #2 8892 8893 Parameters 8894 --- 8895 Chain pairing | bb 8896 Alignment algorithm | Needleman-Wunsch 8897 Similarity matrix | BLOSUM-62 8898 SS fraction | 0.3 8899 Gap open (HH/SS/other) | 18/18/6 8900 Gap extend | 1 8901 SS matrix | | | H | S | O 8902 ---|---|---|--- 8903 H | 6 | -9 | -6 8904 S | | 6 | -6 8905 O | | | 4 8906 Iteration cutoff | 2 8907 8908 Matchmaker stb6.pdb, chain A (#2) with 8909 AtWAK1_f4e1e_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb, chain A 8910 (#12), sequence alignment score = 130.5 8911 RMSD between 34 pruned atom pairs is 0.976 angstroms; (across all 170 pairs: 8912 17.148) 8913 8914 8915 > select add #12/A:34 8916 8917 6 atoms, 5 bonds, 1 residue, 1 model selected 8918 Alignment identifier is 12/A 8919 8920 > select clear 8921 8922 > select add #12/A:34 8923 8924 6 atoms, 5 bonds, 1 residue, 1 model selected 8925 8926 > select add #12/A:35 8927 8928 17 atoms, 16 bonds, 2 residues, 1 model selected 8929 8930 > setattr #12:34-35 res ss_type 0 8931 8932 Assigning ss_type attribute to 2 items 8933 8934 > select #12/A:35 8935 8936 11 atoms, 11 bonds, 1 residue, 1 model selected 8937 8938 > select #12/A:35-37 8939 8940 25 atoms, 25 bonds, 3 residues, 1 model selected 8941 8942 > setattr #12:35-37 res ss_type 2 8943 8944 Assigning ss_type attribute to 3 items 8945 8946 > select clear 8947 8948 > select add #12/A:21 8949 8950 11 atoms, 11 bonds, 1 residue, 1 model selected 8951 8952 > select add #12/A:23 8953 8954 19 atoms, 18 bonds, 2 residues, 1 model selected 8955 8956 > setattr #12:21-23 res ss_type 2 8957 8958 Assigning ss_type attribute to 3 items 8959 8960 > select clear 8961 8962 > hide #!2 models 8963 8964 > select ::name="CYS" 8965 8966 1512 atoms, 1391 bonds, 252 residues, 13 models selected 8967 8968 > show sel & #12 atoms 8969 8970 > color (#12 & sel) byhetero 8971 8972 > select clear 8973 8974 > select add #12/A:7 8975 8976 8 atoms, 7 bonds, 1 residue, 1 model selected 8977 8978 > select #12/A:6 8979 8980 9 atoms, 8 bonds, 1 residue, 1 model selected 8981 8982 > select #12/A:5-6 8983 8984 13 atoms, 12 bonds, 2 residues, 1 model selected 8985 8986 > select #12/A:1 8987 8988 9 atoms, 8 bonds, 1 residue, 1 model selected 8989 8990 > select #12/A:1-5 8991 8992 39 atoms, 40 bonds, 5 residues, 1 model selected 8993 8994 > hide sel cartoons 8995 8996 > select clear 8997 8998 > select add #12/A:306 8999 9000 9 atoms, 8 bonds, 1 residue, 1 model selected 9001 9002 > select #12/A:306 9003 9004 9 atoms, 8 bonds, 1 residue, 1 model selected 9005 9006 > select #12/A:306-312 9007 9008 62 atoms, 64 bonds, 7 residues, 1 model selected 9009 9010 > hide sel cartoons 9011 9012 > select clear 1050 [deleted to fit within ticket limits] 1051 9013 1052 9014 1053 > select add #12/A:67