Changes between Initial Version and Version 1 of Ticket #17541
- Timestamp:
- May 5, 2025, 10:46:37 AM (6 months ago)
Legend:
- Unmodified
- Added
- Removed
- Modified
-
Ticket #17541
- 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 #17541 – Description
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"386b0fc1-7873-3328-8e71-43269fd1b2c7", 1922 "path" : "\/usr\/lib\/system\/libsystem_pthread.dylib", 1923 "name" : "libsystem_pthread.dylib" 1924 }, 1925 { 1926 "source" : "P", 1927 "arch" : "arm64e", 1928 "base" : 6934974464, 1929 "size" : 520184, 1930 "uuid" : "05b44e93-dffc-3bd8-90ab-fd97cb73f171", 1931 "path" : "\/usr\/lib\/system\/libsystem_c.dylib", 1932 "name" : "libsystem_c.dylib" 1933 }, 1934 { 1935 "source" : "P", 1936 "arch" : "arm64e", 1937 "base" : 6936637440, 1938 "size" : 32744, 1939 "uuid" : "d5bbfc31-d52a-37d6-a41b-48638113ad4c", 1940 "path" : "\/usr\/lib\/system\/libsystem_platform.dylib", 1941 "name" : "libsystem_platform.dylib" 1942 }, 1943 { 1944 "source" : "P", 1945 "arch" : "arm64e", 1946 "base" : 6996238336, 1947 "CFBundleShortVersionString" : "6.9", 1948 "CFBundleIdentifier" : "com.apple.AppKit", 1949 "size" : 20172800, 1950 "uuid" : "61f710be-9132-3cc2-883d-066365fba1ad", 1951 "path" : "\/System\/Library\/Frameworks\/AppKit.framework\/Versions\/C\/AppKit", 1952 "name" : "AppKit", 1953 "CFBundleVersion" : "2487.60.105" 1954 }, 1955 { 1956 "source" : "P", 1957 "arch" : "arm64e", 1958 "base" : 7028445184, 1959 "CFBundleShortVersionString" : "1.600.0", 1960 "CFBundleIdentifier" : "com.apple.SkyLight", 1961 "size" : 4853760, 1962 "uuid" : "995bcbdd-5656-3d16-bfa1-0ab357c2a13e", 1963 "path" : "\/System\/Library\/PrivateFrameworks\/SkyLight.framework\/Versions\/A\/SkyLight", 1964 "name" : "SkyLight" 1965 }, 1966 { 1967 "source" : "P", 1968 "arch" : "arm64e", 1969 "base" : 6934667264, 1970 "size" : 294912, 1971 "uuid" : "502762ee-7aa7-306c-9dbd-88981a86bb78", 1972 "path" : "\/usr\/lib\/system\/libdispatch.dylib", 1973 "name" : "libdispatch.dylib" 1974 }, 1975 { 1976 "source" : "P", 1977 "arch" : "arm64e", 1978 "base" : 6936854528, 1979 "CFBundleShortVersionString" : "6.9", 1980 "CFBundleIdentifier" : "com.apple.CoreFoundation", 1981 "size" : 5083136, 1982 "uuid" : "84b539d5-22c9-3f8c-84c8-903e9c7b8d29", 1983 "path" : 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2017 "CFBundleShortVersionString" : "6.9", 2018 "CFBundleIdentifier" : "com.apple.Foundation", 2019 "size" : 12967936, 2020 "uuid" : "99e0292d-7873-3968-9c9c-5955638689a5", 2021 "path" : "\/System\/Library\/Frameworks\/Foundation.framework\/Versions\/C\/Foundation", 2022 "name" : "Foundation", 2023 "CFBundleVersion" : "2503.1" 2024 } 68 [deleted to fit within ticket limits] 69 2025 70 ], 2026 71 "sharedCache" : { … … 2264 309 5 atoms, 4 bonds, 1 residue, 1 model selected 2265 310 2266 > select /L:1813-1824 2267 2268 98 atoms, 99 bonds, 12 residues, 1 model selected 2269 2270 > select clear 2271 2272 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/7ojn.pdb 2273 2274 7ojn.pdb title: 2275 Lassa virus L protein In an elongation conformation [elongation] [more 2276 info...] 2277 2278 Chain information for 7ojn.pdb #2 2279 --- 2280 Chain | Description 2281 D | No description available 2282 E R | No description available 2283 L | RNA-directed RNA polymerase L 2284 M | No description available 2285 2286 Non-standard residues in 7ojn.pdb #2 2287 --- 2288 2KH — 2289 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine 2290 MN — manganese (II) ion 2291 ZN — zinc ion 2292 2293 2294 > hide #!1 models 2295 2296 > select #2/D:1-12 2297 2298 242 atoms, 270 bonds, 12 residues, 1 model selected 2299 2300 > ~select 2301 2302 Nothing selected 2303 2304 > show #!2 atoms 2305 2306 > hide #!2 atoms 2307 2308 > show #!2 cartoons 2309 2310 > show #!1 models 2311 2312 > mmaker #2 to #1 2313 2314 Computing secondary structure 2315 Parameters 2316 --- 2317 Chain pairing | bb 2318 Alignment algorithm | Needleman-Wunsch 2319 Similarity matrix | BLOSUM-62 2320 SS fraction | 0.3 2321 Gap open (HH/SS/other) | 18/18/6 2322 Gap extend | 1 2323 SS matrix | | | H | S | O 2324 ---|---|---|--- 2325 H | 6 | -9 | -6 2326 S | | 6 | -6 2327 O | | | 4 2328 Iteration cutoff | 2 2329 2330 Matchmaker 7oea, chain L (#1) with 7ojn.pdb, chain L (#2), sequence alignment 2331 score = 9873.4 2332 RMSD between 949 pruned atom pairs is 1.137 angstroms; (across all 1426 pairs: 2333 20.036) 2334 2335 2336 > hide #!2 models 2337 2338 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/7ojl.pdb 2339 2340 7ojl.pdb title: 2341 Lassa virus L protein In A pre-initiation conformation [preinitiation] [more 2342 info...] 2343 2344 Chain information for 7ojl.pdb #3 2345 --- 2346 Chain | Description 2347 D | 5' RNA 2348 E | 3' RNA 2349 L | RNA-directed RNA polymerase L 2350 2351 Non-standard residues in 7ojl.pdb #3 2352 --- 2353 MN — manganese (II) ion 2354 2355 2356 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/7ojk.pdb 2357 2358 7ojk.pdb title: 2359 Lassa virus L protein bound to the distal promoter duplex [distal- promoter] 2360 [more info...] 2361 2362 Chain information for 7ojk.pdb #4 2363 --- 2364 Chain | Description 2365 D | 5' RNA 2366 E | 3' RNA 2367 L | RNA-directed RNA polymerase L 2368 2369 Non-standard residues in 7ojk.pdb #4 2370 --- 2371 ZN — zinc ion 2372 2373 2374 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/7ojj.pdb 2375 2376 7ojj.pdb title: 2377 Lassa virus L protein with endonuclease and C-terminal domains In close 2378 proximity [mid-link] [more info...] 2379 2380 Chain information for 7ojj.pdb #5 2381 --- 2382 Chain | Description 2383 L | RNA-directed RNA polymerase L 2384 2385 Non-standard residues in 7ojj.pdb #5 2386 --- 2387 MG — magnesium ion 2388 ZN — zinc ion 2389 2390 2391 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/7oeb.pdb 2392 2393 7oeb.pdb title: 2394 Lassa virus L protein bound to 3' promoter RNA (well-resolved endonuclease) 2395 [3END-ENDO] [more info...] 2396 2397 Chain information for 7oeb.pdb #6 2398 --- 2399 Chain | Description 2400 E | 3' VRNA 2401 L | RNA-directed RNA polymerase L 2402 2403 Non-standard residues in 7oeb.pdb #6 2404 --- 2405 MG — magnesium ion 2406 ZN — zinc ion 2407 2408 10 atoms have alternate locations. Control/examine alternate locations with 2409 Altloc Explorer [start tool...] or the altlocs command. 2410 2411 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/7oe7.pdb 2412 2413 7oe7.pdb title: 2414 Apo-structure of lassa virus L protein (well-resolved α ribbon) [apo-ribbon] 2415 [more info...] 2416 2417 Chain information for 7oe7.pdb #7 2418 --- 2419 Chain | Description 2420 L | RNA-directed RNA polymerase L 2421 2422 Non-standard residues in 7oe7.pdb #7 2423 --- 2424 MG — magnesium ion 2425 ZN — zinc ion 2426 2427 2428 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/7oe3.pdb 2429 2430 7oe3.pdb title: 2431 Apo-structure of lassa virus L protein (well-resolved endonuclease) [apo-ENDO] 2432 [more info...] 2433 2434 Chain information for 7oe3.pdb #8 2435 --- 2436 Chain | Description 2437 L | RNA-directed RNA polymerase L 2438 2439 Non-standard residues in 7oe3.pdb #8 2440 --- 2441 MG — magnesium ion 2442 ZN — zinc ion 2443 2444 2445 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/7och.pdb 2446 2447 7och.pdb title: 2448 Apo-structure of lassa virus L protein (well-resolved polymerase core) [apo- 2449 core] [more info...] 2450 2451 Chain information for 7och.pdb #9 2452 --- 2453 Chain | Description 2454 L | RNA-directed RNA polymerase L 2455 2456 Non-standard residues in 7och.pdb #9 2457 --- 2458 MG — magnesium ion 2459 ZN — zinc ion 2460 2461 2462 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/7ela.pdb 2463 2464 7ela.pdb title: 2465 Structure of lassa virus polymerase In complex with 3'-VRNA and Z mutant 2466 (F36A) [more info...] 2467 2468 Chain information for 7ela.pdb #10 2469 --- 2470 Chain | Description 2471 A | RNA-directed RNA polymerase L 2472 B | ring finger protein Z 2473 C | 3-'VRNA promoter 2474 2475 Non-standard residues in 7ela.pdb #10 2476 --- 2477 MN — manganese (II) ion 2478 ZN — zinc ion 2479 2480 14 atoms have alternate locations. Control/examine alternate locations with 2481 Altloc Explorer [start tool...] or the altlocs command. 2482 2483 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/7ckl.pdb 2484 2485 7ckl.pdb title: 2486 Structure of lassa virus polymerase bound to Z matrix protein [more info...] 2487 2488 Chain information for 7ckl.pdb #11 2489 --- 2490 Chain | Description 2491 A | RNA-directed RNA polymerase L 2492 B | ring finger protein Z 2493 2494 Non-standard residues in 7ckl.pdb #11 2495 --- 2496 MN — manganese (II) ion 2497 ZN — zinc ion 2498 2499 2500 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/6klc.pdb 2501 2502 6klc.pdb title: 2503 Structure of apo lassa virus polymerase [more info...] 2504 2505 Chain information for 6klc.pdb #12 2506 --- 2507 Chain | Description 2508 A | RNA-directed RNA polymerase L 2509 2510 Non-standard residues in 6klc.pdb #12 2511 --- 2512 MN — manganese (II) ion 2513 2514 2515 > hide #!12 models 2516 2517 > hide #!11 models 2518 2519 > hide #!10 models 2520 2521 > hide #!9 models 2522 2523 > hide #!8 models 2524 2525 > hide #!7 models 2526 2527 > hide #!6 models 2528 2529 > hide #!5 models 2530 2531 > hide #!4 models 2532 2533 > mmaker #3 to #1 2534 2535 Computing secondary structure 2536 Parameters 2537 --- 2538 Chain pairing | bb 2539 Alignment algorithm | Needleman-Wunsch 2540 Similarity matrix | BLOSUM-62 2541 SS fraction | 0.3 2542 Gap open (HH/SS/other) | 18/18/6 2543 Gap extend | 1 2544 SS matrix | | | H | S | O 2545 ---|---|---|--- 2546 H | 6 | -9 | -6 2547 S | | 6 | -6 2548 O | | | 4 2549 Iteration cutoff | 2 2550 2551 Matchmaker 7oea, chain L (#1) with 7ojl.pdb, chain L (#3), sequence alignment 2552 score = 9518.8 2553 RMSD between 1040 pruned atom pairs is 0.699 angstroms; (across all 1210 2554 pairs: 3.005) 2555 2556 2557 > hide #!3 models 2558 2559 > show #!2 models 2560 2561 Cell requested for row 0 is out of bounds for table with 0 rows! Resizing 2562 table model. 2563 2564 > select #2/R:14-24 2565 2566 231 atoms, 256 bonds, 11 residues, 1 model selected 2567 2568 > select #2/E:10-16 2569 2570 149 atoms, 165 bonds, 7 residues, 1 model selected 2571 2572 > show sel atoms 2573 2574 > style sel stick 2575 2576 Changed 149 atom styles 2577 2578 > nucleotides sel tube/slab shape box 2579 2580 > hide #2.2 models 2581 2582 > show #2.2 models 2583 2584 > hide #!2 models 2585 2586 > show #!3 models 2587 2588 > hide #!3 models 2589 2590 > show #!4 models 2591 2592 > mmaker #4 to #1 2593 2594 Computing secondary structure 2595 Parameters 2596 --- 2597 Chain pairing | bb 2598 Alignment algorithm | Needleman-Wunsch 2599 Similarity matrix | BLOSUM-62 2600 SS fraction | 0.3 2601 Gap open (HH/SS/other) | 18/18/6 2602 Gap extend | 1 2603 SS matrix | | | H | S | O 2604 ---|---|---|--- 2605 H | 6 | -9 | -6 2606 S | | 6 | -6 2607 O | | | 4 2608 Iteration cutoff | 2 2609 2610 Matchmaker 7oea, chain L (#1) with 7ojk.pdb, chain L (#4), sequence alignment 2611 score = 9604 2612 RMSD between 729 pruned atom pairs is 1.363 angstroms; (across all 1382 pairs: 2613 19.322) 2614 2615 2616 > hide #!4.2 models 2617 2618 > close #4 2619 2620 > show #!5 models 2621 2622 > mmaker #5 to #1 2623 2624 Computing secondary structure 2625 Parameters 2626 --- 2627 Chain pairing | bb 2628 Alignment algorithm | Needleman-Wunsch 2629 Similarity matrix | BLOSUM-62 2630 SS fraction | 0.3 2631 Gap open (HH/SS/other) | 18/18/6 2632 Gap extend | 1 2633 SS matrix | | | H | S | O 2634 ---|---|---|--- 2635 H | 6 | -9 | -6 2636 S | | 6 | -6 2637 O | | | 4 2638 Iteration cutoff | 2 2639 2640 Matchmaker 7oea, chain L (#1) with 7ojj.pdb, chain L (#5), sequence alignment 2641 score = 9703.6 2642 RMSD between 767 pruned atom pairs is 1.390 angstroms; (across all 1372 pairs: 2643 19.261) 2644 2645 2646 > hide #!5.2 models 2647 2648 > hide #!5 models 2649 2650 > open /Users/gabriele/Desktop/L_protein/L_protein_pdb/7ojk.pdb 2651 2652 7ojk.pdb title: 2653 Lassa virus L protein bound to the distal promoter duplex [distal- promoter] 2654 [more info...] 2655 2656 Chain information for 7ojk.pdb #4 2657 --- 2658 Chain | Description 2659 D | 5' RNA 2660 E | 3' RNA 2661 L | RNA-directed RNA polymerase L 2662 2663 Non-standard residues in 7ojk.pdb #4 2664 --- 2665 ZN — zinc ion 2666 2667 2668 > hide #!4 models 2669 2670 > show #!6 models 2671 2672 > hide #!6.2 models 2673 2674 > hide #!6 models 2675 2676 > show #!7 models 2677 2678 > mmaker #7 to #1 2679 2680 Computing secondary structure 2681 Parameters 2682 --- 2683 Chain pairing | bb 2684 Alignment algorithm | Needleman-Wunsch 2685 Similarity matrix | BLOSUM-62 2686 SS fraction | 0.3 2687 Gap open (HH/SS/other) | 18/18/6 2688 Gap extend | 1 2689 SS matrix | | | H | S | O 2690 ---|---|---|--- 2691 H | 6 | -9 | -6 2692 S | | 6 | -6 2693 O | | | 4 2694 Iteration cutoff | 2 2695 2696 Matchmaker 7oea, chain L (#1) with 7oe7.pdb, chain L (#7), sequence alignment 2697 score = 9417.4 2698 RMSD between 758 pruned atom pairs is 1.402 angstroms; (across all 1223 pairs: 2699 3.071) 2700 2701 2702 > hide #!7.2 models 2703 2704 > hide #!7 models 2705 2706 > show #!8 models 2707 2708 > mmaker #8 to #1 2709 2710 Computing secondary structure 2711 Parameters 2712 --- 2713 Chain pairing | bb 2714 Alignment algorithm | Needleman-Wunsch 2715 Similarity matrix | BLOSUM-62 2716 SS fraction | 0.3 2717 Gap open (HH/SS/other) | 18/18/6 2718 Gap extend | 1 2719 SS matrix | | | H | S | O 2720 ---|---|---|--- 2721 H | 6 | -9 | -6 2722 S | | 6 | -6 2723 O | | | 4 2724 Iteration cutoff | 2 2725 2726 Matchmaker 7oea, chain L (#1) with 7oe3.pdb, chain L (#8), sequence alignment 2727 score = 9820.6 2728 RMSD between 833 pruned atom pairs is 1.420 angstroms; (across all 1418 pairs: 2729 2.078) 2730 2731 2732 > hide #!8.2 models 2733 2734 > show #!8.2 models 2735 2736 > hide #!8 models 2737 2738 > show #!9 models 2739 2740 > show #!2 models 2741 2742 > hide #!2 models 2743 2744 > hide #!9 models 2745 2746 > show #!10 models 2747 2748 > mmaker #9 to #1 2749 2750 Computing secondary structure 2751 Parameters 2752 --- 2753 Chain pairing | bb 2754 Alignment algorithm | Needleman-Wunsch 2755 Similarity matrix | BLOSUM-62 2756 SS fraction | 0.3 2757 Gap open (HH/SS/other) | 18/18/6 2758 Gap extend | 1 2759 SS matrix | | | H | S | O 2760 ---|---|---|--- 2761 H | 6 | -9 | -6 2762 S | | 6 | -6 2763 O | | | 4 2764 Iteration cutoff | 2 2765 2766 Matchmaker 7oea, chain L (#1) with 7och.pdb, chain L (#9), sequence alignment 2767 score = 9460.6 2768 RMSD between 806 pruned atom pairs is 1.406 angstroms; (across all 1165 pairs: 2769 1.871) 2770 2771 2772 > mmaker #10 to #1 2773 2774 Computing secondary structure 2775 Parameters 2776 --- 2777 Chain pairing | bb 2778 Alignment algorithm | Needleman-Wunsch 2779 Similarity matrix | BLOSUM-62 2780 SS fraction | 0.3 2781 Gap open (HH/SS/other) | 18/18/6 2782 Gap extend | 1 2783 SS matrix | | | H | S | O 2784 ---|---|---|--- 2785 H | 6 | -9 | -6 2786 S | | 6 | -6 2787 O | | | 4 2788 Iteration cutoff | 2 2789 2790 Matchmaker 7oea, chain L (#1) with 7ela.pdb, chain A (#10), sequence alignment 2791 score = 8964.8 2792 RMSD between 1232 pruned atom pairs is 0.843 angstroms; (across all 1361 2793 pairs: 1.292) 2794 2795 2796 > hide #!1 models 2797 2798 > show #!1 models 2799 2800 > hide #!10 models 2801 2802 > show #!11 models 2803 2804 > mmaker #11 to #1 2805 2806 Computing secondary structure 2807 Parameters 2808 --- 2809 Chain pairing | bb 2810 Alignment algorithm | Needleman-Wunsch 2811 Similarity matrix | BLOSUM-62 2812 SS fraction | 0.3 2813 Gap open (HH/SS/other) | 18/18/6 2814 Gap extend | 1 2815 SS matrix | | | H | S | O 2816 ---|---|---|--- 2817 H | 6 | -9 | -6 2818 S | | 6 | -6 2819 O | | | 4 2820 Iteration cutoff | 2 2821 2822 Matchmaker 7oea, chain L (#1) with 7ckl.pdb, chain A (#11), sequence alignment 2823 score = 8904.2 2824 RMSD between 1170 pruned atom pairs is 0.925 angstroms; (across all 1317 2825 pairs: 1.411) 2826 2827 2828 > hide #!11.2 models 2829 2830 > hide #!11 models 2831 2832 > show #!11 models 2833 2834 > show #!11.2 models 2835 2836 > show #!12 models 2837 2838 > hide #!11 models 2839 2840 > mmaker #12 to #1 2841 2842 Computing secondary structure 2843 Parameters 2844 --- 2845 Chain pairing | bb 2846 Alignment algorithm | Needleman-Wunsch 2847 Similarity matrix | BLOSUM-62 2848 SS fraction | 0.3 2849 Gap open (HH/SS/other) | 18/18/6 2850 Gap extend | 1 2851 SS matrix | | | H | S | O 2852 ---|---|---|--- 2853 H | 6 | -9 | -6 2854 S | | 6 | -6 2855 O | | | 4 2856 Iteration cutoff | 2 2857 2858 Matchmaker 7oea, chain L (#1) with 6klc.pdb, chain A (#12), sequence alignment 2859 score = 8751.6 2860 RMSD between 997 pruned atom pairs is 1.084 angstroms; (across all 1319 pairs: 2861 2.921) 2862 2863 2864 > hide #!12.2 models 2865 2866 > show #!12.2 models 2867 2868 > hide #!12.2 models 2869 2870 > show #!12.2 models 2871 2872 > hide #!12 models 2873 2874 > show #!11 models 2875 2876 > select #11/A:1-1300 2877 2878 7853 atoms, 7978 bonds, 13 pseudobonds, 1004 residues, 2 models selected 2879 2880 > select #11/A:1-1200 2881 2882 7133 atoms, 7241 bonds, 11 pseudobonds, 914 residues, 2 models selected 2883 2884 > select #11/A:1-1220 2885 2886 7264 atoms, 7376 bonds, 11 pseudobonds, 930 residues, 2 models selected 2887 2888 > select #11/A:90-1220 2889 2890 6608 atoms, 6713 bonds, 10 pseudobonds, 845 residues, 2 models selected 2891 2892 > ui tool show "Show Sequence Viewer" 2893 2894 > sequence chain #11/A 2895 2896 Alignment identifier is 11/A 2897 2898 > select clear 2899 2900 > select #11/A:1 2901 2902 8 atoms, 7 bonds, 1 residue, 1 model selected 2903 2904 > select #11/A:1-195 2905 2906 1493 atoms, 1514 bonds, 1 pseudobond, 191 residues, 2 models selected 2907 2908 > select 2909 > #11/A:1-15,21-31,38-58,68-76,108-132,153-168,171-177,179-191,212-221,232-252,262-272,283-292,295-301,320-332,340-363,377-379,384-401,416-436,440-445,454-461,493-510,578-582,589-607,612-630,632-650,657-663,669-686,693-711,717-737,748-762,782-795,847-862,873-890,902-910,916-929,1139-1159,1167-1184,1195-1211,1225-1238,1244-1261,1269-1280,1299-1323,1340-1368,1398-1409,1414-1433,1435-1453,1475-1488,1490-1508,1512-1520,1523-1536,1581-1586,1614-1626,1640-1650,1678-1681,1686-1701,1703-1707,1744-1759,1782-1791 2910 2911 6685 atoms, 6743 bonds, 842 residues, 1 model selected 2912 2913 > select #11/A:1 2914 2915 8 atoms, 7 bonds, 1 residue, 1 model selected 2916 2917 > select #11/A:1-306 2918 2919 2371 atoms, 2406 bonds, 2 pseudobonds, 297 residues, 2 models selected 2920 2921 > select #11/A:1 2922 2923 8 atoms, 7 bonds, 1 residue, 1 model selected 2924 2925 > select #11/A:1-223 2926 2927 1677 atoms, 1700 bonds, 2 pseudobonds, 214 residues, 2 models selected 2928 2929 > select #11/A:721-722 2930 2931 17 atoms, 16 bonds, 2 residues, 1 model selected 2932 2933 > select #11/A:721-800 2934 2935 621 atoms, 634 bonds, 80 residues, 1 model selected 2936 2937 > select 2938 > #11/A:1-15,21-31,38-58,68-76,108-132,153-168,171-177,179-191,212-221,232-252,262-272,283-292,295-301,320-332,340-363,377-379,384-401,416-436,440-445,454-461,493-510,578-582,589-607,612-630,632-650,657-663,669-686,693-711,717-737,748-762,782-795,847-862,873-890,902-910,916-929,1139-1159,1167-1184,1195-1211,1225-1238,1244-1261,1269-1280,1299-1323,1340-1368,1398-1409,1414-1433,1435-1453,1475-1488,1490-1508,1512-1520,1523-1536,1581-1586,1614-1626,1640-1650,1678-1681,1686-1701,1703-1707,1744-1759,1782-1791 2939 2940 6685 atoms, 6743 bonds, 842 residues, 1 model selected 2941 2942 > select #11/A:846 2943 2944 5 atoms, 4 bonds, 1 residue, 1 model selected 2945 2946 > select #11/A:846-931 2947 2948 322 atoms, 318 bonds, 3 pseudobonds, 65 residues, 2 models selected 2949 2950 > select #11/A:721 2951 2952 8 atoms, 7 bonds, 1 residue, 1 model selected 2953 2954 > select #11/A:721-931 2955 2956 943 atoms, 952 bonds, 4 pseudobonds, 145 residues, 2 models selected 2957 2958 > select #11/A:721-931 2959 2960 943 atoms, 952 bonds, 4 pseudobonds, 145 residues, 2 models selected 2961 2962 > select #11/A:766-767 2963 2964 8 atoms, 7 bonds, 2 residues, 1 model selected 2965 2966 > select #11/A:766-931 2967 2968 578 atoms, 579 bonds, 4 pseudobonds, 100 residues, 2 models selected 2969 2970 > select #11/A:1091 2971 2972 7 atoms, 6 bonds, 1 residue, 1 model selected 2973 2974 > select #11/A:1091-1123 2975 2976 247 atoms, 251 bonds, 33 residues, 1 model selected 2977 2978 > select #11/A:1126-1127 2979 2980 18 atoms, 17 bonds, 2 residues, 1 model selected 2981 2982 > select #11/A:1126-1213 2983 2984 705 atoms, 718 bonds, 88 residues, 1 model selected 2985 2986 > select #11/A:721 2987 2988 8 atoms, 7 bonds, 1 residue, 1 model selected 2989 2990 > select #11/A:721-765 2991 2992 365 atoms, 372 bonds, 45 residues, 1 model selected 2993 2994 > select #11/A:541 2995 2996 11 atoms, 11 bonds, 1 residue, 1 model selected 2997 2998 > select #11/A:541-765 2999 3000 1854 atoms, 1890 bonds, 225 residues, 1 model selected 3001 3002 > select #11/A:718-719 3003 3004 19 atoms, 18 bonds, 2 residues, 1 model selected 3005 3006 > select #11/A:718-931 3007 3008 969 atoms, 978 bonds, 4 pseudobonds, 148 residues, 2 models selected 3009 3010 > select #11/A:1240-1241 3011 3012 15 atoms, 14 bonds, 2 residues, 1 model selected 3013 3014 > select #11/A:1241-1305 3015 3016 473 atoms, 482 bonds, 1 pseudobond, 61 residues, 2 models selected 3017 3018 > select #11/A:224-717 3019 3020 3623 atoms, 3681 bonds, 4 pseudobonds, 442 residues, 2 models selected 3021 3022 > delete sel 3023 3024 > select #11/A:932-1239 3025 3026 1143 atoms, 1167 bonds, 1 pseudobond, 143 residues, 2 models selected 3027 3028 > delete sel 3029 3030 > select #11/A:1287-2217 3031 3032 3389 atoms, 3463 bonds, 4 pseudobonds, 425 residues, 2 models selected 3033 3034 > delete sel 3035 3036 > hide #!1 models 3037 3038 Drag select of 34 atoms, 49 residues, 8 pseudobonds, 23 bonds 3039 3040 > delete sel 3041 3042 > show #!1 models 3043 3044 > mmaker #11 to #1 3045 3046 Computing secondary structure 3047 Parameters 3048 --- 3049 Chain pairing | bb 3050 Alignment algorithm | Needleman-Wunsch 3051 Similarity matrix | BLOSUM-62 3052 SS fraction | 0.3 3053 Gap open (HH/SS/other) | 18/18/6 3054 Gap extend | 1 3055 SS matrix | | | H | S | O 3056 ---|---|---|--- 3057 H | 6 | -9 | -6 3058 S | | 6 | -6 3059 O | | | 4 3060 Iteration cutoff | 2 3061 3062 Matchmaker 7oea, chain L (#1) with 7ckl.pdb, chain A (#11), sequence alignment 3063 score = 7692.2 3064 RMSD between 276 pruned atom pairs is 1.001 angstroms; (across all 336 pairs: 3065 1.707) 3066 3067 3068 > save 3069 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ckl_alphabundle.pdb 3070 > models #11 3071 3072 > close #11 3073 3074 > open 7ojn 3075 3076 7ojn title: 3077 Lassa virus L protein in an elongation conformation [ELONGATION] [more 3078 info...] 3079 3080 Chain information for 7ojn #11 3081 --- 3082 Chain | Description | UniProt 3083 D | 5' RNA | 3084 E R | 3' RNA | 3085 L | RNA-directed RNA polymerase L | A0A3S8NV63_9VIRU 1-2217 3086 M | product RNA | 3087 3088 Non-standard residues in 7ojn #11 3089 --- 3090 2KH — 3091 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine 3092 MN — manganese (II) ion 3093 ZN — zinc ion 3094 3095 3096 > hide #!1 models 3097 3098 > show #!11 cartoons 3099 3100 > hide #!11 atoms 3101 3102 > mm#11 to #1 3103 3104 Unknown command: mm#11 to #1 3105 3106 > mmaker #11 to #1 3107 3108 Computing secondary structure 3109 Parameters 3110 --- 3111 Chain pairing | bb 3112 Alignment algorithm | Needleman-Wunsch 3113 Similarity matrix | BLOSUM-62 3114 SS fraction | 0.3 3115 Gap open (HH/SS/other) | 18/18/6 3116 Gap extend | 1 3117 SS matrix | | | H | S | O 3118 ---|---|---|--- 3119 H | 6 | -9 | -6 3120 S | | 6 | -6 3121 O | | | 4 3122 Iteration cutoff | 2 3123 3124 Matchmaker 7oea, chain L (#1) with 7ojn, chain L (#11), sequence alignment 3125 score = 9873.4 3126 RMSD between 949 pruned atom pairs is 1.137 angstroms; (across all 1426 pairs: 3127 20.036) 3128 3129 3130 > show #!1 models 3131 3132 > open 3133 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ckl_alphabundle.pdb 3134 3135 7ckl_alphabundle.pdb title: 3136 Structure of lassa virus polymerase bound to Z matrix protein [more info...] 3137 3138 Chain information for 7ckl_alphabundle.pdb #13 3139 --- 3140 Chain | Description 3141 A | RNA-directed RNA polymerase L 3142 3143 3144 > hide #!13 models 3145 3146 > show #!13 models 3147 3148 > hide #!13.1 models 3149 3150 > show #!13.1 models 3151 3152 > hide #!13.1 models 3153 3154 > hide #!13 models 3155 3156 > show #!13.1 models 3157 3158 > hide #!13 models 3159 3160 Cell requested for row 12 is out of bounds for table with 14 rows! Resizing 3161 table model. 3162 3163 > hide #11.3 models 3164 3165 > select #11/A:1-430 3166 3167 Nothing selected 3168 3169 > select #11/L:1-430 3170 3171 3406 atoms, 3460 bonds, 2 pseudobonds, 418 residues, 2 models selected 3172 3173 > delete sel 3174 3175 > select #11/L:620-2217 3176 3177 11240 atoms, 11480 bonds, 5 pseudobonds, 1403 residues, 2 models selected 3178 3179 > delete sel 3180 3181 > mmaker #11 to #1 3182 3183 Computing secondary structure 3184 Parameters 3185 --- 3186 Chain pairing | bb 3187 Alignment algorithm | Needleman-Wunsch 3188 Similarity matrix | BLOSUM-62 3189 SS fraction | 0.3 3190 Gap open (HH/SS/other) | 18/18/6 3191 Gap extend | 1 3192 SS matrix | | | H | S | O 3193 ---|---|---|--- 3194 H | 6 | -9 | -6 3195 S | | 6 | -6 3196 O | | | 4 3197 Iteration cutoff | 2 3198 3199 Matchmaker 7oea, chain L (#1) with 7ojn, chain L (#11), sequence alignment 3200 score = 8212 3201 RMSD between 170 pruned atom pairs is 0.741 angstroms; (across all 174 pairs: 3202 0.813) 3203 3204 3205 > hide #!1 models 3206 3207 > show #!11 atoms 3208 3209 Drag select of 340 atoms, 20 residues, 24 pseudobonds, 182 bonds 3210 3211 > delete sel 3212 3213 Drag select of 1 atoms 3214 3215 > delete sel 3216 3217 > style #!11 stick 3218 3219 Changed 1884 atom styles 3220 3221 > hide #!11 atoms 3222 3223 Drag select of 7 residues 3224 3225 > delete sel 3226 3227 > select add #11/D:12 3228 3229 5 atoms, 4 bonds, 1 residue, 1 model selected 3230 3231 > select add #11/D:11 3232 3233 28 atoms, 29 bonds, 2 residues, 1 model selected 3234 3235 > select add #11/D:10 3236 3237 51 atoms, 54 bonds, 3 residues, 1 model selected 3238 3239 > select add #11/D:9 3240 3241 74 atoms, 79 bonds, 4 residues, 1 model selected 3242 Drag select of 8 residues 3243 3244 > delete sel 3245 3246 > show #!11 atoms 3247 3248 > hide #!11 atoms 3249 3250 > show #!1 models 3251 3252 > mmaker #11 to #1 3253 3254 Computing secondary structure 3255 Parameters 3256 --- 3257 Chain pairing | bb 3258 Alignment algorithm | Needleman-Wunsch 3259 Similarity matrix | BLOSUM-62 3260 SS fraction | 0.3 3261 Gap open (HH/SS/other) | 18/18/6 3262 Gap extend | 1 3263 SS matrix | | | H | S | O 3264 ---|---|---|--- 3265 H | 6 | -9 | -6 3266 S | | 6 | -6 3267 O | | | 4 3268 Iteration cutoff | 2 3269 3270 Matchmaker 7oea, chain L (#1) with 7ojn, chain L (#11), sequence alignment 3271 score = 8212 3272 RMSD between 170 pruned atom pairs is 0.741 angstroms; (across all 174 pairs: 3273 0.813) 3274 3275 3276 > save 3277 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ojn_430-620.pdb 3278 > models #11 3279 3280 > hide #!11 models 3281 3282 > show #!2 models 3283 3284 > show #!13 models 3285 3286 > hide #!13 models 3287 3288 > select #2/L:500-1000 3289 3290 3171 atoms, 3225 bonds, 2 pseudobonds, 393 residues, 2 models selected 3291 3292 > select #2/L:500-900 3293 3294 3026 atoms, 3078 bonds, 1 pseudobond, 377 residues, 2 models selected 3295 3296 > select #2/L:500-800 3297 3298 2434 atoms, 2480 bonds, 301 residues, 1 model selected 3299 3300 > hide #!1 models 3301 3302 > select #2/L:1-499 3303 3304 3950 atoms, 4014 bonds, 2 pseudobonds, 487 residues, 2 models selected 3305 3306 > delete sel 3307 3308 > select #2/L:801-2217 3309 3310 9758 atoms, 9968 bonds, 5 pseudobonds, 1222 residues, 2 models selected 3311 3312 > delete sel 3313 3314 Drag select of 20 residues, 2 shapes 3315 3316 > delete sel 3317 3318 Drag select of 16 atoms, 7 residues, 12 bonds, 15 shapes 3319 3320 > delete sel 3321 3322 > style #!2 stick 3323 3324 Changed 2711 atom styles 3325 3326 > show #!2 atoms 3327 3328 Drag select of 1 atoms 3329 Drag select of 3 atoms 3330 3331 > delete sel 3332 3333 Drag select of 31 atoms, 4 pseudobonds, 30 bonds 3334 3335 > delete sel 3336 3337 > style #!2 sphere 3338 3339 Changed 2676 atom styles 3340 3341 > style #!2 stick 3342 3343 Changed 2676 atom styles 3344 3345 > hide #!2 atoms 3346 3347 > show #!1 models 3348 3349 > show #!13 models 3350 3351 > hide #!13 models 3352 3353 > mm#2 to #1 3354 3355 Unknown command: mm#2 to #1 3356 3357 > mmaker #2 to #1 3358 3359 Computing secondary structure 3360 Parameters 3361 --- 3362 Chain pairing | bb 3363 Alignment algorithm | Needleman-Wunsch 3364 Similarity matrix | BLOSUM-62 3365 SS fraction | 0.3 3366 Gap open (HH/SS/other) | 18/18/6 3367 Gap extend | 1 3368 SS matrix | | | H | S | O 3369 ---|---|---|--- 3370 H | 6 | -9 | -6 3371 S | | 6 | -6 3372 O | | | 4 3373 Iteration cutoff | 2 3374 3375 Matchmaker 7oea, chain L (#1) with 7ojn.pdb, chain L (#2), sequence alignment 3376 score = 8428.6 3377 RMSD between 285 pruned atom pairs is 0.846 angstroms; (across all 289 pairs: 3378 0.886) 3379 3380 3381 > save 3382 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ojn_500-800_5hook.pdb 3383 > models #2 3384 3385 > show #!13 models 3386 3387 > show #!11 models 3388 3389 > hide #!2 models 3390 3391 > hide #!13.1 models 3392 3393 > open 7ojn 3394 3395 7ojn title: 3396 Lassa virus L protein in an elongation conformation [ELONGATION] [more 3397 info...] 3398 3399 Chain information for 7ojn #14 3400 --- 3401 Chain | Description | UniProt 3402 D | 5' RNA | 3403 E R | 3' RNA | 3404 L | RNA-directed RNA polymerase L | A0A3S8NV63_9VIRU 1-2217 3405 M | product RNA | 3406 3407 Non-standard residues in 7ojn #14 3408 --- 3409 2KH — 3410 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine 3411 MN — manganese (II) ion 3412 ZN — zinc ion 3413 3414 3415 Cell requested for row 0 is out of bounds for table with 14 rows! Resizing 3416 table model. 3417 3418 > show #!1,11,13-14 cartoons 3419 3420 > hide #!1,11,13-14 atoms 3421 3422 > mmaker #14 to #1 3423 3424 Computing secondary structure 3425 Parameters 3426 --- 3427 Chain pairing | bb 3428 Alignment algorithm | Needleman-Wunsch 3429 Similarity matrix | BLOSUM-62 3430 SS fraction | 0.3 3431 Gap open (HH/SS/other) | 18/18/6 3432 Gap extend | 1 3433 SS matrix | | | H | S | O 3434 ---|---|---|--- 3435 H | 6 | -9 | -6 3436 S | | 6 | -6 3437 O | | | 4 3438 Iteration cutoff | 2 3439 3440 Matchmaker 7oea, chain L (#1) with 7ojn, chain L (#14), sequence alignment 3441 score = 9873.4 3442 RMSD between 949 pruned atom pairs is 1.137 angstroms; (across all 1426 pairs: 3443 20.036) 3444 3445 3446 > close #14 3447 3448 > show #!3 models 3449 3450 > hide #!3 models 3451 3452 > show #!2 models 3453 3454 > hide #!2 models 3455 3456 > show #!3 models 3457 3458 > hide #!3 models 3459 3460 > show #!4 models 3461 3462 > mmaker #4 to #1 3463 3464 Computing secondary structure 3465 Parameters 3466 --- 3467 Chain pairing | bb 3468 Alignment algorithm | Needleman-Wunsch 3469 Similarity matrix | BLOSUM-62 3470 SS fraction | 0.3 3471 Gap open (HH/SS/other) | 18/18/6 3472 Gap extend | 1 3473 SS matrix | | | H | S | O 3474 ---|---|---|--- 3475 H | 6 | -9 | -6 3476 S | | 6 | -6 3477 O | | | 4 3478 Iteration cutoff | 2 3479 3480 Matchmaker 7oea, chain L (#1) with 7ojk.pdb, chain L (#4), sequence alignment 3481 score = 9604 3482 RMSD between 729 pruned atom pairs is 1.363 angstroms; (across all 1382 pairs: 3483 19.322) 3484 3485 3486 > hide #!4 models 3487 3488 > show #!5 models 3489 3490 > select #5/L:250- 380 3491 3492 Expected an objects specifier or a keyword 3493 3494 > select #5/L:250-360 3495 3496 873 atoms, 888 bonds, 1 pseudobond, 105 residues, 2 models selected 3497 3498 > select #5/L:250-3800 3499 3500 12324 atoms, 12565 bonds, 16 pseudobonds, 1538 residues, 3 models selected 3501 3502 > select #5/L:250-380 3503 3504 1030 atoms, 1049 bonds, 1 pseudobond, 125 residues, 2 models selected 3505 3506 > select #5/L:1-249 3507 3508 2006 atoms, 2036 bonds, 249 residues, 1 model selected 3509 3510 > delete sel 3511 3512 > select #5/L:381-2217 3513 3514 11292 atoms, 11515 bonds, 10 pseudobonds, 1411 residues, 2 models selected 3515 3516 > de33el sel 3517 3518 Unknown command: de33el sel 3519 3520 > delete sel 3521 3522 > hide #!13 models 3523 3524 > hide #!11 models 3525 3526 > mmaker #5 to #1 3527 3528 Computing secondary structure 3529 Parameters 3530 --- 3531 Chain pairing | bb 3532 Alignment algorithm | Needleman-Wunsch 3533 Similarity matrix | BLOSUM-62 3534 SS fraction | 0.3 3535 Gap open (HH/SS/other) | 18/18/6 3536 Gap extend | 1 3537 SS matrix | | | H | S | O 3538 ---|---|---|--- 3539 H | 6 | -9 | -6 3540 S | | 6 | -6 3541 O | | | 4 3542 Iteration cutoff | 2 3543 3544 Matchmaker 7oea, chain L (#1) with 7ojj.pdb, chain L (#5), sequence alignment 3545 score = 8191 3546 RMSD between 90 pruned atom pairs is 1.161 angstroms; (across all 115 pairs: 3547 1.656) 3548 3549 3550 > hide #!1 models 3551 3552 > show #!5 atoms 3553 3554 > select clear 3555 3556 Drag select of 93 atoms, 21 residues, 78 bonds 3557 3558 > delete sel 3559 3560 > hide #!5 atoms 3561 3562 > show #!5 atoms 3563 3564 > hide #!5 atoms 3565 3566 > show #!1 models 3567 3568 > mmaker #5 to #1 3569 3570 Computing secondary structure 3571 Parameters 3572 --- 3573 Chain pairing | bb 3574 Alignment algorithm | Needleman-Wunsch 3575 Similarity matrix | BLOSUM-62 3576 SS fraction | 0.3 3577 Gap open (HH/SS/other) | 18/18/6 3578 Gap extend | 1 3579 SS matrix | | | H | S | O 3580 ---|---|---|--- 3581 H | 6 | -9 | -6 3582 S | | 6 | -6 3583 O | | | 4 3584 Iteration cutoff | 2 3585 3586 Matchmaker 7oea, chain L (#1) with 7ojj.pdb, chain L (#5), sequence alignment 3587 score = 8169.4 3588 RMSD between 90 pruned atom pairs is 1.161 angstroms; (across all 94 pairs: 3589 1.321) 3590 3591 3592 > save 3593 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ojj_271-380.pdb 3594 > models #5 3595 3596 > show #!13 models 3597 3598 > show #!12 models 3599 3600 > hide #!12 models 3601 3602 > show #!11 models 3603 3604 > show #!8 models 3605 3606 > hide #!8 models 3607 3608 > show #!6 models 3609 3610 > close #6 3611 3612 > show #!7 models 3613 3614 > hide #!7 models 3615 3616 > show #!8 models 3617 3618 > hide #!8 models 3619 3620 > show #!9 models 3621 3622 > hide #!9.2 models 3623 3624 > hide #!5 models 3625 3626 > select #9/L:260-380 3627 3628 939 atoms, 957 bonds, 1 pseudobond, 114 residues, 2 models selected 3629 3630 > select #9/L:1-259 3631 3632 497 atoms, 503 bonds, 61 residues, 1 model selected 3633 3634 > delete sel 3635 3636 > select #9/L:381-2217 3637 3638 8078 atoms, 8243 bonds, 9 pseudobonds, 1006 residues, 2 models selected 3639 3640 > delete sel 3641 3642 > mmaker #9 to #1 3643 3644 Computing secondary structure 3645 Parameters 3646 --- 3647 Chain pairing | bb 3648 Alignment algorithm | Needleman-Wunsch 3649 Similarity matrix | BLOSUM-62 3650 SS fraction | 0.3 3651 Gap open (HH/SS/other) | 18/18/6 3652 Gap extend | 1 3653 SS matrix | | | H | S | O 3654 ---|---|---|--- 3655 H | 6 | -9 | -6 3656 S | | 6 | -6 3657 O | | | 4 3658 Iteration cutoff | 2 3659 3660 Matchmaker 7oea, chain L (#1) with 7och.pdb, chain L (#9), sequence alignment 3661 score = 8173 3662 RMSD between 88 pruned atom pairs is 1.129 angstroms; (across all 104 pairs: 3663 1.479) 3664 3665 3666 > hide #!1 models 3667 3668 > hide #!11 models 3669 3670 > hide #!13 models 3671 3672 Drag select of 1 atoms 3673 3674 > delete sel 3675 3676 > show #!1 models 3677 3678 > save 3679 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7och_260-380.pdb 3680 > models #9 3681 3682 > hide #!9 models 3683 3684 > show #!10 models 3685 3686 > hide #!10.2 models 3687 3688 > show #!8 models 3689 3690 > hide #!8 models 3691 3692 > show #!7 models 3693 3694 > hide #!1 models 3695 3696 > hide #!10 models 3697 3698 > show #!1 models 3699 3700 > show #!13 models 3701 3702 > show #!7.2 models 3703 3704 > hide #!7.2 models 3705 3706 > show #!7.2 models 3707 3708 > hide #!7.2 models 3709 3710 > show #!7.2 models 3711 3712 > select #1/:L1070-1080 3713 3714 Expected an objects specifier or a keyword 3715 3716 > select #1/:A1070-1080 3717 3718 Expected an objects specifier or a keyword 3719 3720 > select #1/L:1070-1080 3721 3722 Nothing selected 3723 3724 > select #7/L:781-1069 3725 3726 1127 atoms, 1140 bonds, 3 pseudobonds, 141 residues, 2 models selected 3727 3728 > close #7 3729 3730 > show #!2 models 3731 3732 > hide #!2 models 3733 3734 > show #!4 models 3735 3736 > hide #!4 models 3737 3738 > show #!11 models 3739 3740 > show #!9 models 3741 3742 > show #!2 models 3743 3744 > hide #!2 models 3745 3746 > show #!3 models 3747 3748 > hide #!3 models 3749 3750 > show #!4 models 3751 3752 > hide #!4 models 3753 3754 > show #!5 models 3755 3756 > hide #!5 models 3757 3758 > show #!8 models 3759 3760 > hide #!8 models 3761 3762 > show #!12 models 3763 3764 > show #!8 models 3765 3766 > show #!5 models 3767 3768 > hide #!5 models 3769 3770 > show #!5 models 3771 3772 > hide #!5 models 3773 3774 > show #!10 models 3775 3776 > hide #!10 models 3777 3778 > hide #!12 models 3779 3780 > hide #!9 models 3781 3782 > hide #!11 models 3783 3784 > hide #!13 models 3785 3786 > show #!10 models 3787 3788 > hide #!10 models 3789 3790 > show #!12 models 3791 3792 > hide #!12 models 3793 3794 > select ~sel & ##selected 3795 3796 Nothing selected 3797 3798 > select #8/L:1520-1790 3799 3800 1891 atoms, 1936 bonds, 3 pseudobonds, 239 residues, 2 models selected 3801 3802 > select #8/L:1-1519 3803 3804 9750 atoms, 9932 bonds, 5 pseudobonds, 1207 residues, 2 models selected 3805 3806 > delete sel 3807 3808 > select #8/L:1791-2217 3809 3810 261 atoms, 264 bonds, 1 pseudobond, 32 residues, 2 models selected 3811 3812 > delete sel 3813 3814 > hide #!1 models 3815 3816 Drag select of 1 atoms 3817 3818 > delete sel 3819 3820 > style #!8 sphere 3821 3822 Changed 1891 atom styles 3823 3824 > show #!8 atoms 3825 3826 > style #!8 stick 3827 3828 Changed 1891 atom styles 3829 3830 > hide #!8 atoms 3831 3832 > show #!1 models 3833 3834 > mm#8 to #1 3835 3836 Unknown command: mm#8 to #1 3837 3838 > mmaker #8 to #1 3839 3840 Computing secondary structure 3841 Parameters 3842 --- 3843 Chain pairing | bb 3844 Alignment algorithm | Needleman-Wunsch 3845 Similarity matrix | BLOSUM-62 3846 SS fraction | 0.3 3847 Gap open (HH/SS/other) | 18/18/6 3848 Gap extend | 1 3849 SS matrix | | | H | S | O 3850 ---|---|---|--- 3851 H | 6 | -9 | -6 3852 S | | 6 | -6 3853 O | | | 4 3854 Iteration cutoff | 2 3855 3856 Matchmaker 7oea, chain L (#1) with 7oe3.pdb, chain L (#8), sequence alignment 3857 score = 8262.4 3858 RMSD between 189 pruned atom pairs is 1.188 angstroms; (across all 207 pairs: 3859 1.350) 3860 3861 3862 > save 3863 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oe3_1520-1790.pdb 3864 > models #8 3865 3866 > show #!13 models 3867 3868 > show #!12 models 3869 3870 > hide #!12 models 3871 3872 > show #!11 models 3873 3874 > show #!9 models 3875 3876 > show #!2 models 3877 3878 > show #!3 models 3879 3880 > hide #!3 models 3881 3882 > show #!4 models 3883 3884 > hide #!4 models 3885 3886 > show #!5 models 3887 3888 > hide #!5 models 3889 3890 > show #!10 models 3891 3892 > hide #!10 models 3893 3894 > hide #!1 models 3895 3896 > hide #!2 models 3897 3898 > show #!2 models 3899 3900 > show #!3 models 3901 3902 > hide #!3 models 3903 3904 > close #3 3905 3906 > show #!4 models 3907 3908 > hide #!4 models 3909 3910 > close #4 3911 3912 > show #!5 models 3913 3914 > hide #!5 models 3915 3916 > close #5 3917 3918 > show #!10 models 3919 3920 > hide #!10 models 3921 3922 > close #10 3923 3924 > show #!12 models 3925 3926 > hide #!12 models 3927 3928 > close #12 3929 3930 > show #!1 models 3931 3932 > mmaker #2 to #1 3933 3934 Computing secondary structure 3935 Parameters 3936 --- 3937 Chain pairing | bb 3938 Alignment algorithm | Needleman-Wunsch 3939 Similarity matrix | BLOSUM-62 3940 SS fraction | 0.3 3941 Gap open (HH/SS/other) | 18/18/6 3942 Gap extend | 1 3943 SS matrix | | | H | S | O 3944 ---|---|---|--- 3945 H | 6 | -9 | -6 3946 S | | 6 | -6 3947 O | | | 4 3948 Iteration cutoff | 2 3949 3950 Matchmaker 7oea, chain L (#1) with 7ojn.pdb, chain L (#2), sequence alignment 3951 score = 8428.6 3952 RMSD between 285 pruned atom pairs is 0.846 angstroms; (across all 289 pairs: 3953 0.886) 3954 3955 3956 > mmaker #8 to #1 3957 3958 Computing secondary structure 3959 Parameters 3960 --- 3961 Chain pairing | bb 3962 Alignment algorithm | Needleman-Wunsch 3963 Similarity matrix | BLOSUM-62 3964 SS fraction | 0.3 3965 Gap open (HH/SS/other) | 18/18/6 3966 Gap extend | 1 3967 SS matrix | | | H | S | O 3968 ---|---|---|--- 3969 H | 6 | -9 | -6 3970 S | | 6 | -6 3971 O | | | 4 3972 Iteration cutoff | 2 3973 3974 Matchmaker 7oea, chain L (#1) with 7oe3.pdb, chain L (#8), sequence alignment 3975 score = 8262.4 3976 RMSD between 189 pruned atom pairs is 1.188 angstroms; (across all 207 pairs: 3977 1.350) 3978 3979 3980 > mmaker #9 to #1 3981 3982 Computing secondary structure 3983 Parameters 3984 --- 3985 Chain pairing | bb 3986 Alignment algorithm | Needleman-Wunsch 3987 Similarity matrix | BLOSUM-62 3988 SS fraction | 0.3 3989 Gap open (HH/SS/other) | 18/18/6 3990 Gap extend | 1 3991 SS matrix | | | H | S | O 3992 ---|---|---|--- 3993 H | 6 | -9 | -6 3994 S | | 6 | -6 3995 O | | | 4 3996 Iteration cutoff | 2 3997 3998 Matchmaker 7oea, chain L (#1) with 7och.pdb, chain L (#9), sequence alignment 3999 score = 8173 4000 RMSD between 88 pruned atom pairs is 1.129 angstroms; (across all 104 pairs: 4001 1.479) 4002 4003 4004 > mmaker #11 to #1 4005 4006 Computing secondary structure 4007 Parameters 4008 --- 4009 Chain pairing | bb 4010 Alignment algorithm | Needleman-Wunsch 4011 Similarity matrix | BLOSUM-62 4012 SS fraction | 0.3 4013 Gap open (HH/SS/other) | 18/18/6 4014 Gap extend | 1 4015 SS matrix | | | H | S | O 4016 ---|---|---|--- 4017 H | 6 | -9 | -6 4018 S | | 6 | -6 4019 O | | | 4 4020 Iteration cutoff | 2 4021 4022 Matchmaker 7oea, chain L (#1) with 7ojn, chain L (#11), sequence alignment 4023 score = 8212 4024 RMSD between 170 pruned atom pairs is 0.741 angstroms; (across all 174 pairs: 4025 0.813) 4026 4027 4028 > mmaker #13 to #1 4029 4030 Computing secondary structure 4031 Parameters 4032 --- 4033 Chain pairing | bb 4034 Alignment algorithm | Needleman-Wunsch 4035 Similarity matrix | BLOSUM-62 4036 SS fraction | 0.3 4037 Gap open (HH/SS/other) | 18/18/6 4038 Gap extend | 1 4039 SS matrix | | | H | S | O 4040 ---|---|---|--- 4041 H | 6 | -9 | -6 4042 S | | 6 | -6 4043 O | | | 4 4044 Iteration cutoff | 2 4045 4046 Matchmaker 7oea, chain L (#1) with 7ckl_alphabundle.pdb, chain A (#13), 4047 sequence alignment score = 7692.2 4048 RMSD between 276 pruned atom pairs is 1.001 angstroms; (across all 336 pairs: 4049 1.707) 4050 4051 4052 > hide #!13 models 4053 4054 > hide #!11 models 4055 4056 > hide #!9 models 4057 4058 > hide #!8 models 4059 4060 > hide #!2 models 4061 4062 > show #!2 models 4063 4064 > save 4065 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ojn_500-800_5hook.pdb 4066 > models #2 4067 4068 > hide #!2 models 4069 4070 > show #!8 models 4071 4072 > save 4073 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oe3_1520-1790.pdb 4074 > models #8 4075 4076 > hide #!8 models 4077 4078 > show #!9 models 4079 4080 > save 4081 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7och_260-380.pdb 4082 > models #9 4083 4084 > hide #!9 models 4085 4086 > show #!11 models 4087 4088 > save 4089 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ojn_430-620.pdb 4090 > models #11 4091 4092 > hide #!11 models 4093 4094 > show #!13 models 4095 4096 > save 4097 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ckl_alphabundle.pdb 4098 > models #13 4099 4100 > hide #!13 models 4101 4102 > open 7ojn 4103 4104 7ojn title: 4105 Lassa virus L protein in an elongation conformation [ELONGATION] [more 4106 info...] 4107 4108 Chain information for 7ojn #3 4109 --- 4110 Chain | Description | UniProt 4111 D | 5' RNA | 4112 E R | 3' RNA | 4113 L | RNA-directed RNA polymerase L | A0A3S8NV63_9VIRU 1-2217 4114 M | product RNA | 4115 4116 Non-standard residues in 7ojn #3 4117 --- 4118 2KH — 4119 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine 4120 MN — manganese (II) ion 4121 ZN — zinc ion 4122 4123 4124 > hide #!1,3 atoms 4125 4126 > show #!1,3 cartoons 4127 4128 > mmaker #3 to #1 4129 4130 Computing secondary structure 4131 Parameters 4132 --- 4133 Chain pairing | bb 4134 Alignment algorithm | Needleman-Wunsch 4135 Similarity matrix | BLOSUM-62 4136 SS fraction | 0.3 4137 Gap open (HH/SS/other) | 18/18/6 4138 Gap extend | 1 4139 SS matrix | | | H | S | O 4140 ---|---|---|--- 4141 H | 6 | -9 | -6 4142 S | | 6 | -6 4143 O | | | 4 4144 Iteration cutoff | 2 4145 4146 Matchmaker 7oea, chain L (#1) with 7ojn, chain L (#3), sequence alignment 4147 score = 9873.4 4148 RMSD between 949 pruned atom pairs is 1.137 angstroms; (across all 1426 pairs: 4149 20.036) 4150 4151 4152 > select #3/L:1550-1840 4153 4154 2161 atoms, 2209 bonds, 2 pseudobonds, 271 residues, 2 models selected 4155 4156 > select #3/L:1-1549 4157 4158 11061 atoms, 11262 bonds, 5 pseudobonds, 1371 residues, 2 models selected 4159 4160 > delete sel 4161 4162 > select #3/L:1841-2217 4163 4164 2920 atoms, 2991 bonds, 368 residues, 1 model selected 4165 4166 > delete sel 4167 4168 > mmaker #3 to #1 4169 4170 Computing secondary structure 4171 Parameters 4172 --- 4173 Chain pairing | bb 4174 Alignment algorithm | Needleman-Wunsch 4175 Similarity matrix | BLOSUM-62 4176 SS fraction | 0.3 4177 Gap open (HH/SS/other) | 18/18/6 4178 Gap extend | 1 4179 SS matrix | | | H | S | O 4180 ---|---|---|--- 4181 H | 6 | -9 | -6 4182 S | | 6 | -6 4183 O | | | 4 4184 Iteration cutoff | 2 4185 4186 Matchmaker 7oea, chain L (#1) with 7ojn, chain L (#3), sequence alignment 4187 score = 8247.4 4188 RMSD between 131 pruned atom pairs is 0.860 angstroms; (across all 210 pairs: 4189 5.191) 4190 4191 4192 > hide #!1 models 4193 4194 Drag select of 12 residues 4195 4196 > select up 4197 4198 3010 atoms, 3144 bonds, 317 residues, 1 model selected 4199 4200 > select down 4201 4202 242 atoms, 12 residues, 1 model selected 4203 4204 > delete sel 4205 4206 Drag select of 7 residues 4207 4208 > delete sel 4209 4210 Drag select of 6 residues 4211 4212 > delete sel 4213 4214 Drag select of 5 residues 4215 4216 > delete sel 4217 4218 Drag select of 3 residues 4219 4220 > delete sel 4221 4222 Drag select of 5 residues 4223 4224 > delete sel 4225 4226 > show #!3 atoms 4227 4228 Drag select of 31 atoms, 4 pseudobonds, 30 bonds 4229 4230 > delete sel 4231 4232 Drag select of 1 atoms 4233 4234 > delete sel 4235 4236 Drag select of 1 atoms 4237 4238 > delete sel 4239 4240 Drag select of 2 atoms 4241 4242 > delete sel 4243 4244 Drag select of 12 atoms, 15 bonds 4245 4246 > delete sel 4247 4248 > select #3/M:18@O2' 4249 4250 1 atom, 1 residue, 1 model selected 4251 4252 > select add #3/M:18@O4 4253 4254 2 atoms, 1 residue, 1 model selected 4255 4256 > delete sel 4257 4258 > style #!3 stick 4259 4260 Changed 2167 atom styles 4261 4262 > hide #!3 atoms 4263 4264 > show #!1 models 4265 4266 > mmaker #3 to #1 4267 4268 Computing secondary structure 4269 Parameters 4270 --- 4271 Chain pairing | bb 4272 Alignment algorithm | Needleman-Wunsch 4273 Similarity matrix | BLOSUM-62 4274 SS fraction | 0.3 4275 Gap open (HH/SS/other) | 18/18/6 4276 Gap extend | 1 4277 SS matrix | | | H | S | O 4278 ---|---|---|--- 4279 H | 6 | -9 | -6 4280 S | | 6 | -6 4281 O | | | 4 4282 Iteration cutoff | 2 4283 4284 Matchmaker 7oea, chain L (#1) with 7ojn, chain L (#3), sequence alignment 4285 score = 8247.4 4286 RMSD between 131 pruned atom pairs is 0.860 angstroms; (across all 210 pairs: 4287 5.191) 4288 4289 4290 > select #3/L:1800-2217 4291 4292 290 atoms, 294 bonds, 1 pseudobond, 35 residues, 2 models selected 4293 4294 > delete sel 4295 4296 > mmaker #3 to #1 4297 4298 Computing secondary structure 4299 Parameters 4300 --- 4301 Chain pairing | bb 4302 Alignment algorithm | Needleman-Wunsch 4303 Similarity matrix | BLOSUM-62 4304 SS fraction | 0.3 4305 Gap open (HH/SS/other) | 18/18/6 4306 Gap extend | 1 4307 SS matrix | | | H | S | O 4308 ---|---|---|--- 4309 H | 6 | -9 | -6 4310 S | | 6 | -6 4311 O | | | 4 4312 Iteration cutoff | 2 4313 4314 Matchmaker 7oea, chain L (#1) with 7ojn, chain L (#3), sequence alignment 4315 score = 8225.8 4316 RMSD between 113 pruned atom pairs is 0.795 angstroms; (across all 186 pairs: 4317 5.325) 4318 4319 4320 > hide #!3 models 4321 4322 > show #!13 models 4323 4324 > ui tool show "Show Sequence Viewer" 4325 4326 > sequence chain #13/A 4327 4328 Alignment identifier is 13/A 4329 4330 > select 4331 > #13/A:1-15,21-31,38-58,68-76,108-132,153-168,171-177,179-191,212-221,718-737,748-762,782-795,847-862,873-890,902-910,916-929,1244-1261,1269-1280 4332 4333 1928 atoms, 1939 bonds, 263 residues, 1 model selected 4334 4335 > select clear 4336 4337 > select #13/A:61-62,90-94,97-105,136-144,207-208,1240-1242 4338 4339 241 atoms, 239 bonds, 30 residues, 1 model selected 4340 4341 > select clear 4342 4343 > ui tool show "Show Sequence Viewer" 4344 4345 > hide #!13 models 4346 4347 > close #2-3,8-9,11 4348 4349 > open 4350 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7och_260-380.pdb 4351 4352 7och_260-380.pdb title: 4353 Apo-structure of lassa virus L protein (well-resolved polymerase core) [apo- 4354 core] [more info...] 4355 4356 Chain information for 7och_260-380.pdb #2 4357 --- 4358 Chain | Description 4359 L | RNA-directed RNA polymerase L 4360 4361 Non-standard residues in 7och_260-380.pdb #2 4362 --- 4363 ZN — zinc ion 4364 4365 4366 > open 4367 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oe3_1520-1790.pdb 4368 4369 7oe3_1520-1790.pdb title: 4370 Apo-structure of lassa virus L protein (well-resolved endonuclease) [apo-ENDO] 4371 [more info...] 4372 4373 Chain information for 7oe3_1520-1790.pdb #3 4374 --- 4375 Chain | Description 4376 L | RNA-directed RNA polymerase L 4377 4378 4379 > open 4380 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ojn_430-620.pdb 4381 4382 Chain information for 7ojn_430-620.pdb #4 4383 --- 4384 Chain | Description 4385 L | No description available 4386 4387 4388 > ui tool show "Show Sequence Viewer" 4389 4390 > sequence chain #2/L 4391 4392 Alignment identifier is 2/L 4393 4394 > select #2/L:262-272,284-293,296-302,311-319,321-335,345-365 4395 4396 625 atoms, 634 bonds, 73 residues, 1 model selected 4397 4398 > select clear 4399 4400 > open 4401 > /Users/gabriele/Desktop/output/AF3_INFERENCE_WITH_TEMPLATES/bantou_dsrna_7ojk_7ojk/bantou_dsrna_7ojk_data_7ojk/bantou_dsrna_7ojk_data_7ojk_model.cif 4402 4403 Chain information for bantou_dsrna_7ojk_data_7ojk_model.cif #5 4404 --- 4405 Chain | Description 4406 A | . 4407 B | . 4408 C | . 4409 4410 Color bantou_dsrna_7ojk_data_7ojk_model.cif by residue attribute pLDDT_score 4411 Computing secondary structure 4412 4413 > open 4414 > /Users/gabriele/Desktop/output/AF3_INFERENCE_WITHOUT_TEMPLATES/bantou_dsrna_7ojk/bantou_dsrna_7ojk/bantou_dsrna_7ojk_model.cif 4415 4416 Chain information for bantou_dsrna_7ojk_model.cif #6 4417 --- 4418 Chain | Description 4419 A | . 4420 B | . 4421 C | . 4422 4423 Color bantou_dsrna_7ojk_model.cif by residue attribute pLDDT_score 4424 Computing secondary structure 4425 4426 > hide #6 models 4427 4428 > hide #5 models 4429 4430 > hide #4 models 4431 4432 > hide #!3 models 4433 4434 > hide #!2 models 4435 4436 > hide #!1 models 4437 4438 > show #5 models 4439 4440 > show #6 models 4441 4442 > hide #6 models 4443 4444 > hide #5 models 4445 4446 > show #6 models 4447 4448 > view clip false 4449 4450 > hide #6 models 4451 4452 > show #5 models 4453 4454 > show #6 models 4455 4456 > mmaker #5 to #6 4457 4458 Computing secondary structure 4459 Parameters 4460 --- 4461 Chain pairing | bb 4462 Alignment algorithm | Needleman-Wunsch 4463 Similarity matrix | BLOSUM-62 4464 SS fraction | 0.3 4465 Gap open (HH/SS/other) | 18/18/6 4466 Gap extend | 1 4467 SS matrix | | | H | S | O 4468 ---|---|---|--- 4469 H | 6 | -9 | -6 4470 S | | 6 | -6 4471 O | | | 4 4472 Iteration cutoff | 2 4473 4474 Matchmaker bantou_dsrna_7ojk_model.cif, chain A (#6) with 4475 bantou_dsrna_7ojk_data_7ojk_model.cif, chain A (#5), sequence alignment score 4476 = 11351.2 4477 RMSD between 2026 pruned atom pairs is 0.933 angstroms; (across all 2217 4478 pairs: 1.957) 4479 4480 4481 > hide #6 models 4482 4483 > show #6 models 4484 4485 > hide #6 models 4486 4487 > show #6 models 4488 4489 > hide #6 models 4490 4491 > open 4492 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7ojk/250428/bantou289.B99990002.pdb 4493 4494 Chain information for bantou289.B99990002.pdb #7 4495 --- 4496 Chain | Description 4497 A | No description available 4498 B | No description available 4499 C | No description available 4500 4501 Computing secondary structure 4502 4503 > mmaker #5-6 to #7 4504 4505 Computing secondary structure 4506 Parameters 4507 --- 4508 Chain pairing | bb 4509 Alignment algorithm | Needleman-Wunsch 4510 Similarity matrix | BLOSUM-62 4511 SS fraction | 0.3 4512 Gap open (HH/SS/other) | 18/18/6 4513 Gap extend | 1 4514 SS matrix | | | H | S | O 4515 ---|---|---|--- 4516 H | 6 | -9 | -6 4517 S | | 6 | -6 4518 O | | | 4 4519 Iteration cutoff | 2 4520 4521 Matchmaker bantou289.B99990002.pdb, chain A (#7) with 4522 bantou_dsrna_7ojk_data_7ojk_model.cif, chain A (#5), sequence alignment score 4523 = 10760.2 4524 RMSD between 1012 pruned atom pairs is 1.250 angstroms; (across all 2217 4525 pairs: 24.705) 4526 4527 Matchmaker bantou289.B99990002.pdb, chain A (#7) with 4528 bantou_dsrna_7ojk_model.cif, chain A (#6), sequence alignment score = 10729.6 4529 RMSD between 857 pruned atom pairs is 1.324 angstroms; (across all 2217 pairs: 4530 24.513) 4531 4532 4533 > view clip false 4534 4535 > hide #7 models 4536 4537 > show #7 models 4538 4539 > hide #5 models 4540 4541 > show #6 models 4542 4543 > hide #6 models 4544 4545 > show #5 models 4546 4547 > hide #7 models 4548 4549 > show #7 models 4550 4551 > hide #5 models 4552 4553 > show #5 models 4554 4555 > hide #7 models 4556 4557 > hide #5 models 4558 4559 > show #!1 models 4560 4561 > show #7 models 4562 4563 > mmaker #7 tp #1 4564 4565 > matchmaker #7 tp #1 4566 4567 Expected a keyword 4568 4569 > mmaker #7 to #1 4570 4571 Computing secondary structure 4572 Parameters 4573 --- 4574 Chain pairing | bb 4575 Alignment algorithm | Needleman-Wunsch 4576 Similarity matrix | BLOSUM-62 4577 SS fraction | 0.3 4578 Gap open (HH/SS/other) | 18/18/6 4579 Gap extend | 1 4580 SS matrix | | | H | S | O 4581 ---|---|---|--- 4582 H | 6 | -9 | -6 4583 S | | 6 | -6 4584 O | | | 4 4585 Iteration cutoff | 2 4586 4587 Matchmaker 7oea, chain L (#1) with bantou289.B99990002.pdb, chain A (#7), 4588 sequence alignment score = 9881.8 4589 RMSD between 833 pruned atom pairs is 1.244 angstroms; (across all 1432 pairs: 4590 19.008) 4591 4592 4593 > hide #7 models 4594 4595 > show #!2 models 4596 4597 > show #!3 models 4598 4599 > show #4 models 4600 4601 > open 4602 > /Users/gabriele/Desktop/output/AF3_INFERENCE_WITH_TEMPLATES/bantou_dsrna_7ojk_7ojk/bantou_dsrna_7ojk_data_7ojk/seed-1_sample-0/model.cif 4603 4604 Chain information for model.cif #8 4605 --- 4606 Chain | Description 4607 A | . 4608 B | . 4609 C | . 4610 4611 Color model.cif by residue attribute pLDDT_score 4612 Computing secondary structure 4613 4614 > hide #4 models 4615 4616 > hide #!3 models 4617 4618 > hide #!2 models 4619 4620 > hide #!1 models 4621 4622 > open 4623 > /Users/gabriele/Desktop/output/AF3_INFERENCE_WITH_TEMPLATES/bantou_dsrna_7ojk_7ojk/bantou_dsrna_7ojk_data_7ojk/seed-1_sample-1/model.cif 4624 4625 Chain information for model.cif #9 4626 --- 4627 Chain | Description 4628 A | . 4629 B | . 4630 C | . 4631 4632 Color model.cif by residue attribute pLDDT_score 4633 Computing secondary structure 4634 4635 > open 4636 > /Users/gabriele/Desktop/output/AF3_INFERENCE_WITH_TEMPLATES/bantou_dsrna_7ojk_7ojk/bantou_dsrna_7ojk_data_7ojk/seed-1_sample-2/model.cif 4637 4638 Chain information for model.cif #10 4639 --- 4640 Chain | Description 4641 A | . 4642 B | . 4643 C | . 4644 4645 Color model.cif by residue attribute pLDDT_score 4646 Computing secondary structure 4647 4648 > open 4649 > /Users/gabriele/Desktop/output/AF3_INFERENCE_WITH_TEMPLATES/bantou_dsrna_7ojk_7ojk/bantou_dsrna_7ojk_data_7ojk/seed-1_sample-3/model.cif 4650 4651 Chain information for model.cif #11 4652 --- 4653 Chain | Description 4654 A | . 4655 B | . 4656 C | . 4657 4658 Color model.cif by residue attribute pLDDT_score 4659 Computing secondary structure 4660 4661 > open 4662 > /Users/gabriele/Desktop/output/AF3_INFERENCE_WITH_TEMPLATES/bantou_dsrna_7ojk_7ojk/bantou_dsrna_7ojk_data_7ojk/seed-1_sample-4/model.cif 4663 4664 Chain information for model.cif #12 4665 --- 4666 Chain | Description 4667 A | . 4668 B | . 4669 C | . 4670 4671 Color model.cif by residue attribute pLDDT_score 4672 Computing secondary structure 4673 4674 > hide #9 models 4675 4676 > hide #10 models 4677 4678 > hide #11 models 4679 4680 > hide #12 models 4681 4682 > show #9 models 4683 4684 > hide #8 models 4685 4686 > hide #9 models 4687 4688 > show #10 models 4689 4690 > hide #10 models 4691 4692 > show #11 models 4693 4694 > hide #11 models 4695 4696 > show #12 models 4697 4698 > close #5-6,8-12 4699 4700 > open 4701 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb 4702 4703 Chain information for 4704 _L_protein_Bantou289_m_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb 4705 #5 4706 --- 4707 Chain | Description 4708 A | No description available 4709 4710 4711 > open 4712 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb 4713 4714 Chain information for 4715 _L_protein_Bantou289_m_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb 4716 #6 4717 --- 4718 Chain | Description 4719 A | No description available 4720 4721 4722 > open 4723 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_unrelaxed_rank_003_alphafold2_ptm_model_4_seed_000.pdb 4724 4725 Chain information for 4726 _L_protein_Bantou289_m_unrelaxed_rank_003_alphafold2_ptm_model_4_seed_000.pdb 4727 #8 4728 --- 4729 Chain | Description 4730 A | No description available 4731 4732 4733 > open 4734 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_unrelaxed_rank_004_alphafold2_ptm_model_3_seed_000.pdb 4735 4736 Chain information for 4737 _L_protein_Bantou289_m_unrelaxed_rank_004_alphafold2_ptm_model_3_seed_000.pdb 4738 #9 4739 --- 4740 Chain | Description 4741 A | No description available 4742 4743 4744 > open 4745 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_unrelaxed_rank_005_alphafold2_ptm_model_5_seed_000.pdb 4746 4747 Chain information for 4748 _L_protein_Bantou289_m_unrelaxed_rank_005_alphafold2_ptm_model_5_seed_000.pdb 4749 #10 4750 --- 4751 Chain | Description 4752 A | No description available 4753 4754 Computing secondary structure 4755 4756 > hide #6 models 4757 4758 > hide #5 models 4759 4760 > hide #10 models 4761 4762 > hide #9 models 4763 4764 > hide #8 models 4765 4766 > show #5 models 4767 4768 > mmaker #5-6 to #7 4769 4770 Computing secondary structure 4771 Parameters 4772 --- 4773 Chain pairing | bb 4774 Alignment algorithm | Needleman-Wunsch 4775 Similarity matrix | BLOSUM-62 4776 SS fraction | 0.3 4777 Gap open (HH/SS/other) | 18/18/6 4778 Gap extend | 1 4779 SS matrix | | | H | S | O 4780 ---|---|---|--- 4781 H | 6 | -9 | -6 4782 S | | 6 | -6 4783 O | | | 4 4784 Iteration cutoff | 2 4785 4786 Matchmaker bantou289.B99990002.pdb, chain A (#7) with 4787 _L_protein_Bantou289_m_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb, 4788 chain A (#5), sequence alignment score = 10852 4789 RMSD between 1217 pruned atom pairs is 0.844 angstroms; (across all 2217 4790 pairs: 2.345) 4791 4792 Matchmaker bantou289.B99990002.pdb, chain A (#7) with 4793 _L_protein_Bantou289_m_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb, 4794 chain A (#6), sequence alignment score = 10837 4795 RMSD between 1561 pruned atom pairs is 0.967 angstroms; (across all 2217 4796 pairs: 1.968) 4797 4798 4799 > mmaker #8-10 to #7 4800 4801 Computing secondary structure 4802 Parameters 4803 --- 4804 Chain pairing | bb 4805 Alignment algorithm | Needleman-Wunsch 4806 Similarity matrix | BLOSUM-62 4807 SS fraction | 0.3 4808 Gap open (HH/SS/other) | 18/18/6 4809 Gap extend | 1 4810 SS matrix | | | H | S | O 4811 ---|---|---|--- 4812 H | 6 | -9 | -6 4813 S | | 6 | -6 4814 O | | | 4 4815 Iteration cutoff | 2 4816 4817 Matchmaker bantou289.B99990002.pdb, chain A (#7) with 4818 _L_protein_Bantou289_m_unrelaxed_rank_003_alphafold2_ptm_model_4_seed_000.pdb, 4819 chain A (#8), sequence alignment score = 10638.7 4820 RMSD between 792 pruned atom pairs is 1.322 angstroms; (across all 2217 pairs: 4821 20.124) 4822 4823 Matchmaker bantou289.B99990002.pdb, chain A (#7) with 4824 _L_protein_Bantou289_m_unrelaxed_rank_004_alphafold2_ptm_model_3_seed_000.pdb, 4825 chain A (#9), sequence alignment score = 10607.2 4826 RMSD between 731 pruned atom pairs is 1.265 angstroms; (across all 2217 pairs: 4827 15.934) 4828 4829 Matchmaker bantou289.B99990002.pdb, chain A (#7) with 4830 _L_protein_Bantou289_m_unrelaxed_rank_005_alphafold2_ptm_model_5_seed_000.pdb, 4831 chain A (#10), sequence alignment score = 10703.8 4832 RMSD between 901 pruned atom pairs is 1.260 angstroms; (across all 2217 pairs: 4833 23.028) 4834 4835 4836 > show #6 models 4837 4838 > hide #5 models 4839 4840 > hide #6 models 4841 4842 > show #8 models 4843 4844 > hide #8 models 4845 4846 > show #9 models 4847 4848 > show #10 models 4849 4850 > hide #10 models 4851 4852 > hide #9 models 4853 4854 > show #5 models 4855 4856 > show #7 models 4857 4858 > show #6 models 4859 4860 > show #8 models 4861 4862 > hide #8 models 4863 4864 > show #9 models 4865 4866 > show #8 models 4867 4868 > show #10 models 4869 4870 > hide #10 models 4871 4872 > hide #9 models 4873 4874 > hide #8 models 4875 4876 > hide #7 models 4877 4878 > hide #6 models 4879 4880 > ui tool show "AlphaFold Error Plot" 4881 4882 > alphafold pae #10 file 4883 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_scores_rank_005_alphafold2_ptm_model_5_seed_000.json 4884 4885 > color bfactor #10 palette alphafold 4886 4887 17806 atoms, 2217 residues, atom bfactor range 25 to 90.2 4888 4889 > color bfactor #10 palette alphafold 4890 4891 17806 atoms, 2217 residues, atom bfactor range 25 to 90.2 4892 4893 > ui tool show "AlphaFold Error Plot" 4894 4895 > alphafold pae #5 file 4896 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_scores_rank_001_alphafold2_ptm_model_2_seed_000.json 4897 4898 > color bfactor #5 palette alphafold 4899 4900 17806 atoms, 2217 residues, atom bfactor range 37.3 to 97.1 4901 4902 > show #7 models 4903 4904 > hide #5 models 4905 4906 > show #5 models 4907 4908 > hide #5 models 4909 4910 > show #6 models 4911 4912 > show #5 models 4913 4914 > hide #6 models 4915 4916 > hide #7 models 4917 4918 > ui tool show "Show Sequence Viewer" 4919 4920 > sequence chain #3/L 4921 4922 Alignment identifier is 3/L 4923 4924 > show #7 models 4925 4926 > show #8 models 4927 4928 > show #9 models 4929 4930 > show #10 models 4931 4932 > hide #8 models 4933 4934 > hide #9 models 4935 4936 > hide #10 models 4937 4938 > hide #7 models 4939 4940 > hide #5 models 4941 4942 > ui tool show "Show Sequence Viewer" 4943 4944 > sequence chain #4/L 4945 4946 Alignment identifier is 4/L 4947 4948 > select 4949 > #4/L:431-434,445-449,452-459,475-479,491-510,521-526,576-580,587-601,610-619 4950 4951 620 atoms, 620 bonds, 78 residues, 1 model selected 4952 4953 > select #4/L:468-470,528-530,533-539,546-550,558-564,571-575 4954 4955 251 atoms, 252 bonds, 30 residues, 1 model selected 4956 4957 > select clear 4958 4959 > ui tool show "Show Sequence Viewer" 4960 4961 > sequence chain #1/E 4962 4963 Alignment identifier is 1/E 4964 4965 > ui tool show "Show Sequence Viewer" 4966 4967 > sequence chain #1/L 4968 4969 Alignment identifier is 1/L 4970 4971 > select 4972 > #1/L:2-16,19-32,34-58,68-76,108-134,153-175,179-191,200-206,211-223,230-251,262-272,284-293,296-303,321-334,343-365,385-404,412-434,438-443,445-449,453-459,491-510,576-580,586-601,608-628,630-648,655-660,666-684,691-709,715-735,746-762,780-793,1090-1096,1137-1158,1166-1182,1193-1210,1219-1236,1242-1259,1267-1279,1297-1320,1338-1366,1396-1406,1412-1431,1433-1451,1465-1471,1473-1486,1490-1506,1524-1533,1539-1544,1579-1589,1595-1608,1612-1626,1638-1649,1674-1679,1684-1705,1778-1788,1796-1800,1812-1817 4973 4974 6902 atoms, 6962 bonds, 844 residues, 1 model selected 4975 4976 > select clear 4977 4978 > select 4979 > #1/L:2-16,19-32,34-58,68-76,108-134,153-175,179-191,200-206,211-223,230-251,262-272,284-293,296-303,321-334,343-365,385-404,412-434,438-443,445-449,453-459,491-510,576-580,586-601,608-628,630-648,655-660,666-684,691-709,715-735,746-762,780-793,1090-1096,1137-1158,1166-1182,1193-1210,1219-1236,1242-1259,1267-1279,1297-1320,1338-1366,1396-1406,1412-1431,1433-1451,1465-1471,1473-1486,1490-1506,1524-1533,1539-1544,1579-1589,1595-1608,1612-1626,1638-1649,1674-1679,1684-1705,1778-1788,1796-1800,1812-1817 4980 4981 6902 atoms, 6962 bonds, 844 residues, 1 model selected 4982 4983 > select clear 4984 4985 > select 4986 > #1/L:2-16,19-32,34-58,68-76,108-134,153-175,179-191,200-206,211-223,230-251,262-272,284-293,296-303,321-334,343-365,385-404,412-434,438-443,445-449,453-459,491-510,576-580,586-601,608-628,630-648,655-660,666-684,691-709,715-735,746-762,780-793,1090-1096,1137-1158,1166-1182,1193-1210,1219-1236,1242-1259,1267-1279,1297-1320,1338-1366,1396-1406,1412-1431,1433-1451,1465-1471,1473-1486,1490-1506,1524-1533,1539-1544,1579-1589,1595-1608,1612-1626,1638-1649,1674-1679,1684-1705,1778-1788,1796-1800,1812-1817 4987 4988 6902 atoms, 6962 bonds, 844 residues, 1 model selected 4989 4990 > open 4991 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ckl_alphabundle_fit.pdb 4992 4993 Chain information for 7ckl_alphabundle_fit.pdb #11 4994 --- 4995 Chain | Description 4996 A | No description available 4997 4998 4999 > open 5000 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7och_260-380_fit.pdb 5001 5002 Chain information for 7och_260-380_fit.pdb #12 5003 --- 5004 Chain | Description 5005 L | No description available 5006 5007 5008 > open 5009 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oe3_1520-1790_fit.pdb 5010 5011 Chain information for 7oe3_1520-1790_fit.pdb #14 5012 --- 5013 Chain | Description 5014 L | No description available 5015 5016 5017 > open 5018 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oea_fit.pdb 5019 5020 Chain information for 7oea_fit.pdb #15 5021 --- 5022 Chain | Description 5023 L | No description available 5024 5025 5026 > open 5027 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ojn_430-620_fit.pdb 5028 5029 Chain information for 7ojn_430-620_fit.pdb #16 5030 --- 5031 Chain | Description 5032 L | No description available 5033 5034 Computing secondary structure 5035 5036 > hide #!12 models 5037 5038 > hide #!14 models 5039 5040 > hide #!15 models 5041 5042 > hide #16 models 5043 5044 > show #!15 models 5045 5046 > mmaker #11 to #15 5047 5048 Computing secondary structure 5049 Parameters 5050 --- 5051 Chain pairing | bb 5052 Alignment algorithm | Needleman-Wunsch 5053 Similarity matrix | BLOSUM-62 5054 SS fraction | 0.3 5055 Gap open (HH/SS/other) | 18/18/6 5056 Gap extend | 1 5057 SS matrix | | | H | S | O 5058 ---|---|---|--- 5059 H | 6 | -9 | -6 5060 S | | 6 | -6 5061 O | | | 4 5062 Iteration cutoff | 2 5063 5064 Matchmaker 7oea_fit.pdb, chain L (#15) with 7ckl_alphabundle_fit.pdb, chain A 5065 (#11), sequence alignment score = 1117.5 5066 RMSD between 273 pruned atom pairs is 0.994 angstroms; (across all 404 pairs: 5067 21.871) 5068 5069 5070 > save 5071 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ckl_alphabundle_fit.pdb 5072 > models #11 5073 5074 > hide #!11 models 5075 5076 > show #!12 models 5077 5078 > mmaker #12 to #15 5079 5080 Computing secondary structure 5081 Parameters 5082 --- 5083 Chain pairing | bb 5084 Alignment algorithm | Needleman-Wunsch 5085 Similarity matrix | BLOSUM-62 5086 SS fraction | 0.3 5087 Gap open (HH/SS/other) | 18/18/6 5088 Gap extend | 1 5089 SS matrix | | | H | S | O 5090 ---|---|---|--- 5091 H | 6 | -9 | -6 5092 S | | 6 | -6 5093 O | | | 4 5094 Iteration cutoff | 2 5095 5096 Matchmaker 7oea_fit.pdb, chain L (#15) with 7och_260-380_fit.pdb, chain L 5097 (#12), sequence alignment score = 481.6 5098 RMSD between 88 pruned atom pairs is 1.129 angstroms; (across all 104 pairs: 5099 1.916) 5100 5101 5102 > save 5103 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ckl_alphabundle_fit.pdb 5104 > models #11 5105 5106 > save 5107 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7och_260-380_fit.pdb 5108 > models #12 5109 5110 > hide #!12 models 5111 5112 > show #!13 models 5113 5114 > show #!11 models 5115 5116 > hide #!11 models 5117 5118 > show #!11 models 5119 5120 > hide #!11 models 5121 5122 > show #!11 models 5123 5124 > hide #!11 models 5125 5126 > mmaker #13 to #15 5127 5128 Computing secondary structure 5129 Parameters 5130 --- 5131 Chain pairing | bb 5132 Alignment algorithm | Needleman-Wunsch 5133 Similarity matrix | BLOSUM-62 5134 SS fraction | 0.3 5135 Gap open (HH/SS/other) | 18/18/6 5136 Gap extend | 1 5137 SS matrix | | | H | S | O 5138 ---|---|---|--- 5139 H | 6 | -9 | -6 5140 S | | 6 | -6 5141 O | | | 4 5142 Iteration cutoff | 2 5143 5144 Matchmaker 7oea_fit.pdb, chain L (#15) with 7ckl_alphabundle.pdb, chain A 5145 (#13), sequence alignment score = 4720.4 5146 RMSD between 276 pruned atom pairs is 1.001 angstroms; (across all 336 pairs: 5147 1.707) 5148 5149 5150 > show #!11 models 5151 5152 > hide #!11 models 5153 5154 > show #!11 models 5155 5156 > hide #!13 models 5157 5158 > show #!13 models 5159 5160 > hide #!11 models 5161 5162 > save 5163 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ckl_alphabundle_fit.pdb 5164 > models #13 5165 5166 > hide #!13 models 5167 5168 > show #!14 models 5169 5170 > mmaker #14 to #15 5171 5172 Computing secondary structure 5173 Parameters 5174 --- 5175 Chain pairing | bb 5176 Alignment algorithm | Needleman-Wunsch 5177 Similarity matrix | BLOSUM-62 5178 SS fraction | 0.3 5179 Gap open (HH/SS/other) | 18/18/6 5180 Gap extend | 1 5181 SS matrix | | | H | S | O 5182 ---|---|---|--- 5183 H | 6 | -9 | -6 5184 S | | 6 | -6 5185 O | | | 4 5186 Iteration cutoff | 2 5187 5188 Matchmaker 7oea_fit.pdb, chain L (#15) with 7oe3_1520-1790_fit.pdb, chain L 5189 (#14), sequence alignment score = 931.4 5190 RMSD between 189 pruned atom pairs is 1.188 angstroms; (across all 207 pairs: 5191 1.935) 5192 5193 5194 > save 5195 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oe3_1520-1790_fit.pdb 5196 > models #14 5197 5198 > hide #!14 models 5199 5200 > show #16 models 5201 5202 > mmaker #16 to #15 5203 5204 Computing secondary structure 5205 Parameters 5206 --- 5207 Chain pairing | bb 5208 Alignment algorithm | Needleman-Wunsch 5209 Similarity matrix | BLOSUM-62 5210 SS fraction | 0.3 5211 Gap open (HH/SS/other) | 18/18/6 5212 Gap extend | 1 5213 SS matrix | | | H | S | O 5214 ---|---|---|--- 5215 H | 6 | -9 | -6 5216 S | | 6 | -6 5217 O | | | 4 5218 Iteration cutoff | 2 5219 5220 Matchmaker 7oea_fit.pdb, chain L (#15) with 7ojn_430-620_fit.pdb, chain L 5221 (#16), sequence alignment score = 766.6 5222 RMSD between 170 pruned atom pairs is 0.741 angstroms; (across all 174 pairs: 5223 0.888) 5224 5225 5226 > save 5227 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ojn_430-620_fit.pdb 5228 > models #16 5229 5230 > hide #16 models 5231 5232 > show #16 models 5233 5234 > show #!14 models 5235 5236 > show #!13 models 5237 5238 > close #16#11-15 5239 5240 > close #4#1-3 5241 5242 > open 5243 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oea_fit.pdb 5244 5245 Chain information for 7oea_fit.pdb #1 5246 --- 5247 Chain | Description 5248 L | No description available 5249 5250 5251 > open 5252 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ojn_430-620_fit.pdb 5253 5254 Chain information for 7ojn_430-620_fit.pdb #2 5255 --- 5256 Chain | Description 5257 L | No description available 5258 5259 5260 > open 5261 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7och_260-380_fit.pdb 5262 5263 Chain information for 7och_260-380_fit.pdb #3 5264 --- 5265 Chain | Description 5266 L | No description available 5267 5268 5269 > open 5270 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ckl_alphabundle_fit.pdb 5271 5272 7ckl_alphabundle_fit.pdb title: 5273 Structure of lassa virus polymerase bound to Z matrix protein [more info...] 5274 5275 Chain information for 7ckl_alphabundle_fit.pdb #4 5276 --- 5277 Chain | Description 5278 A | RNA-directed RNA polymerase L 5279 5280 5281 > open 5282 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oe3_1520-1790_fit.pdb 5283 5284 Chain information for 7oe3_1520-1790_fit.pdb #11 5285 --- 5286 Chain | Description 5287 L | No description available 5288 5289 Computing secondary structure 5290 5291 > hide #!1 models 5292 5293 > hide #!3 models 5294 5295 > show #2#!4,11 atoms 5296 5297 > hide #2#!4,11 atoms 5298 5299 > open 5300 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oea.pdb 5301 5302 7oea.pdb title: 5303 Lassa virus L protein bound to 3' promoter RNA (well-resolved polymerase core) 5304 [3END-core] [more info...] 5305 5306 Chain information for 7oea.pdb #12 5307 --- 5308 Chain | Description 5309 E | 3' VRNA 5310 L | RNA-directed RNA polymerase L 5311 5312 Non-standard residues in 7oea.pdb #12 5313 --- 5314 MG — magnesium ion 5315 ZN — zinc ion 5316 5317 10 atoms have alternate locations. Control/examine alternate locations with 5318 Altloc Explorer [start tool...] or the altlocs command. 5319 5320 > sequence chain #12/L 5321 5322 Alignment identifier is 12/L 5323 5324 > open 5325 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/250502/bantou289.B99990001.pdb 5326 5327 Chain information for bantou289.B99990001.pdb #13 5328 --- 5329 Chain | Description 5330 A | No description available 5331 5332 5333 > open 5334 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/250502/bantou289.B99990005.pdb 5335 5336 Chain information for bantou289.B99990005.pdb #14 5337 --- 5338 Chain | Description 5339 A | No description available 5340 5341 5342 > open 5343 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/250502/bantou289.B99990002.pdb 5344 5345 Chain information for bantou289.B99990002.pdb #15 5346 --- 5347 Chain | Description 5348 A | No description available 5349 5350 5351 > open 5352 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/250502/bantou289.B99990003.pdb 5353 5354 Chain information for bantou289.B99990003.pdb #16 5355 --- 5356 Chain | Description 5357 A | No description available 5358 5359 5360 > open 5361 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/250502/bantou289.B99990004.pdb 5362 5363 Chain information for bantou289.B99990004.pdb #17 5364 --- 5365 Chain | Description 5366 A | No description available 5367 5368 Computing secondary structure 5369 5370 > hide #!11 models 5371 5372 > hide #13 models 5373 5374 > hide #!12 models 5375 5376 > hide #14 models 5377 5378 > hide #15 models 5379 5380 > hide #16 models 5381 5382 > hide #17 models 5383 5384 > hide #!4 models 5385 5386 > hide #2 models 5387 5388 > show #13 models 5389 5390 > select #13/A:931-1089 5391 5392 1287 atoms, 1314 bonds, 159 residues, 1 model selected 5393 5394 > delete sel 5395 5396 > select #13/A:1818-2217 5397 5398 3173 atoms, 3247 bonds, 400 residues, 1 model selected 5399 5400 > delete sel 5401 5402 > select #13/A:795-850 5403 5404 429 atoms, 433 bonds, 56 residues, 1 model selected 5405 5406 > delete sel 5407 5408 > show #!1 models 5409 5410 > hide #!1 models 5411 5412 > show #!12 models 5413 5414 > mmaker #13-17 to #12 5415 5416 Computing secondary structure 5417 Parameters 5418 --- 5419 Chain pairing | bb 5420 Alignment algorithm | Needleman-Wunsch 5421 Similarity matrix | BLOSUM-62 5422 SS fraction | 0.3 5423 Gap open (HH/SS/other) | 18/18/6 5424 Gap extend | 1 5425 SS matrix | | | H | S | O 5426 ---|---|---|--- 5427 H | 6 | -9 | -6 5428 S | | 6 | -6 5429 O | | | 4 5430 Iteration cutoff | 2 5431 5432 Matchmaker 7oea.pdb, chain L (#12) with bantou289.B99990001.pdb, chain A 5433 (#13), sequence alignment score = 9949 5434 RMSD between 216 pruned atom pairs is 0.831 angstroms; (across all 1416 pairs: 5435 11.646) 5436 5437 Matchmaker 7oea.pdb, chain L (#12) with bantou289.B99990005.pdb, chain A 5438 (#14), sequence alignment score = 10001.2 5439 RMSD between 275 pruned atom pairs is 1.222 angstroms; (across all 1432 pairs: 5440 11.576) 5441 5442 Matchmaker 7oea.pdb, chain L (#12) with bantou289.B99990002.pdb, chain A 5443 (#15), sequence alignment score = 10031.2 5444 RMSD between 248 pruned atom pairs is 1.087 angstroms; (across all 1432 pairs: 5445 13.393) 5446 5447 Matchmaker 7oea.pdb, chain L (#12) with bantou289.B99990003.pdb, chain A 5448 (#16), sequence alignment score = 9992.2 5449 RMSD between 246 pruned atom pairs is 1.008 angstroms; (across all 1432 pairs: 5450 12.388) 5451 5452 Matchmaker 7oea.pdb, chain L (#12) with bantou289.B99990004.pdb, chain A 5453 (#17), sequence alignment score = 9952 5454 RMSD between 223 pruned atom pairs is 1.134 angstroms; (across all 1432 pairs: 5455 11.572) 5456 5457 5458 > hide #!12 models 5459 5460 > open 5461 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oea_fit.pdb 5462 5463 Chain information for 7oea_fit.pdb #18 5464 --- 5465 Chain | Description 5466 L | No description available 5467 5468 Computing secondary structure 5469 5470 > close #2,5-10,14-17#1,3-4,11-13,18 5471 5472 > open 5473 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oea.pdb 5474 5475 7oea.pdb title: 5476 Lassa virus L protein bound to 3' promoter RNA (well-resolved polymerase core) 5477 [3END-core] [more info...] 5478 5479 Chain information for 7oea.pdb #1 5480 --- 5481 Chain | Description 5482 E | 3' VRNA 5483 L | RNA-directed RNA polymerase L 5484 5485 Non-standard residues in 7oea.pdb #1 5486 --- 5487 MG — magnesium ion 5488 ZN — zinc ion 5489 5490 10 atoms have alternate locations. Control/examine alternate locations with 5491 Altloc Explorer [start tool...] or the altlocs command. 5492 5493 > open 5494 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oea_fit.pdb 5495 5496 Chain information for 7oea_fit.pdb #2 5497 --- 5498 Chain | Description 5499 L | No description available 5500 5501 Computing secondary structure 5502 5503 > close #2 5504 5505 > close #1 5506 5507 > open 5508 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/250502/bantou289.B99990001.pdb 5509 5510 Chain information for bantou289.B99990001.pdb #1 5511 --- 5512 Chain | Description 5513 A | No description available 5514 5515 Computing secondary structure 5516 5517 > open 5518 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/250502/bantou289.B99990002.pdb 5519 5520 Chain information for bantou289.B99990002.pdb #2 5521 --- 5522 Chain | Description 5523 A | No description available 5524 5525 5526 > open 5527 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/250502/bantou289.B99990003.pdb 5528 5529 Chain information for bantou289.B99990003.pdb #3 5530 --- 5531 Chain | Description 5532 A | No description available 5533 5534 5535 > open 5536 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/250502/bantou289.B99990004.pdb 5537 5538 Chain information for bantou289.B99990004.pdb #4 5539 --- 5540 Chain | Description 5541 A | No description available 5542 5543 5544 > open 5545 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/250502/bantou289.B99990005.pdb 5546 5547 Chain information for bantou289.B99990005.pdb #5 5548 --- 5549 Chain | Description 5550 A | No description available 5551 5552 Computing secondary structure 5553 5554 > select #1/A:931-1089 5555 5556 1287 atoms, 1314 bonds, 159 residues, 1 model selected 5557 5558 > delete sel 5559 5560 > select #2/A:931-1089 5561 5562 1287 atoms, 1314 bonds, 159 residues, 1 model selected 5563 5564 > delete sel 5565 5566 > select #3/A:931-1089 5567 5568 1287 atoms, 1314 bonds, 159 residues, 1 model selected 5569 5570 > delete sel 5571 5572 > select #4-5/A:931-1089 5573 5574 2574 atoms, 2628 bonds, 318 residues, 2 models selected 5575 5576 > delete sel 5577 5578 > select #1-5/A:795-850 5579 5580 2145 atoms, 2165 bonds, 280 residues, 5 models selected 5581 5582 > delete sel 5583 5584 > select #1-5/A:1818-2217 5585 5586 15865 atoms, 16235 bonds, 2000 residues, 5 models selected 5587 5588 > delete sel 5589 5590 > open 5591 > /Users/gabriele/Desktop/out_norelaxation/_L_protein_Bantou289_m_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb 5592 5593 Chain information for 5594 _L_protein_Bantou289_m_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb 5595 #6 5596 --- 5597 Chain | Description 5598 A | No description available 5599 5600 5601 > open 5602 > /Users/gabriele/Desktop/out_norelaxation/_L_protein_Bantou289_m_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb 5603 5604 Chain information for 5605 _L_protein_Bantou289_m_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb 5606 #7 5607 --- 5608 Chain | Description 5609 A | No description available 5610 5611 5612 > open 5613 > /Users/gabriele/Desktop/out_norelaxation/_L_protein_Bantou289_m_unrelaxed_rank_003_alphafold2_ptm_model_4_seed_000.pdb 5614 5615 Chain information for 5616 _L_protein_Bantou289_m_unrelaxed_rank_003_alphafold2_ptm_model_4_seed_000.pdb 5617 #8 5618 --- 5619 Chain | Description 5620 A | No description available 5621 5622 5623 > open 5624 > /Users/gabriele/Desktop/out_norelaxation/_L_protein_Bantou289_m_unrelaxed_rank_004_alphafold2_ptm_model_3_seed_000.pdb 5625 5626 Chain information for 5627 _L_protein_Bantou289_m_unrelaxed_rank_004_alphafold2_ptm_model_3_seed_000.pdb 5628 #9 5629 --- 5630 Chain | Description 5631 A | No description available 5632 5633 5634 > open 5635 > /Users/gabriele/Desktop/out_norelaxation/_L_protein_Bantou289_m_unrelaxed_rank_005_alphafold2_ptm_model_5_seed_000.pdb 5636 5637 Chain information for 5638 _L_protein_Bantou289_m_unrelaxed_rank_005_alphafold2_ptm_model_5_seed_000.pdb 5639 #10 5640 --- 5641 Chain | Description 5642 A | No description available 5643 5644 Computing secondary structure 5645 5646 > open 5647 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_relaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb 5648 5649 Chain information for 5650 _L_protein_Bantou289_m_relaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb 5651 #11 5652 --- 5653 Chain | Description 5654 A | No description available 5655 5656 5657 > open 5658 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_relaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb 5659 5660 Chain information for 5661 _L_protein_Bantou289_m_relaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb 5662 #12 5663 --- 5664 Chain | Description 5665 A | No description available 5666 5667 5668 > open 5669 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_relaxed_rank_003_alphafold2_ptm_model_4_seed_000.pdb 5670 5671 Chain information for 5672 _L_protein_Bantou289_m_relaxed_rank_003_alphafold2_ptm_model_4_seed_000.pdb 5673 #13 5674 --- 5675 Chain | Description 5676 A | No description available 5677 5678 5679 > open 5680 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_relaxed_rank_004_alphafold2_ptm_model_3_seed_000.pdb 5681 5682 Chain information for 5683 _L_protein_Bantou289_m_relaxed_rank_004_alphafold2_ptm_model_3_seed_000.pdb 5684 #14 5685 --- 5686 Chain | Description 5687 A | No description available 5688 5689 5690 > open 5691 > /Users/gabriele/Desktop/out/_L_protein_Bantou289_m_relaxed_rank_005_alphafold2_ptm_model_5_seed_000.pdb 5692 5693 Chain information for 5694 _L_protein_Bantou289_m_relaxed_rank_005_alphafold2_ptm_model_5_seed_000.pdb 5695 #15 5696 --- 5697 Chain | Description 5698 A | No description available 5699 5700 Computing secondary structure 5701 5702 > open 5703 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7ojk/250428/bantou289.B99990002.pdb 5704 5705 Chain information for bantou289.B99990002.pdb #16 5706 --- 5707 Chain | Description 5708 A | No description available 5709 B | No description available 5710 C | No description available 5711 5712 Computing secondary structure 5713 5714 > hide #!1 models 5715 5716 > hide #!2 models 5717 5718 > hide #!3 models 5719 5720 > hide #!4 models 5721 5722 > hide #!5 models 5723 5724 > mmaker #6-15 to #16 5725 5726 Computing secondary structure 5727 Parameters 5728 --- 5729 Chain pairing | bb 5730 Alignment algorithm | Needleman-Wunsch 5731 Similarity matrix | BLOSUM-62 5732 SS fraction | 0.3 5733 Gap open (HH/SS/other) | 18/18/6 5734 Gap extend | 1 5735 SS matrix | | | H | S | O 5736 ---|---|---|--- 5737 H | 6 | -9 | -6 5738 S | | 6 | -6 5739 O | | | 4 5740 Iteration cutoff | 2 5741 5742 Matchmaker bantou289.B99990002.pdb, chain A (#16) with 5743 _L_protein_Bantou289_m_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb, 5744 chain A (#6), sequence alignment score = 10852 5745 RMSD between 1217 pruned atom pairs is 0.844 angstroms; (across all 2217 5746 pairs: 2.345) 5747 5748 Matchmaker bantou289.B99990002.pdb, chain A (#16) with 5749 _L_protein_Bantou289_m_unrelaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb, 5750 chain A (#7), sequence alignment score = 10837 5751 RMSD between 1561 pruned atom pairs is 0.967 angstroms; (across all 2217 5752 pairs: 1.968) 5753 5754 Matchmaker bantou289.B99990002.pdb, chain A (#16) with 5755 _L_protein_Bantou289_m_unrelaxed_rank_003_alphafold2_ptm_model_4_seed_000.pdb, 5756 chain A (#8), sequence alignment score = 10638.7 5757 RMSD between 792 pruned atom pairs is 1.322 angstroms; (across all 2217 pairs: 5758 20.124) 5759 5760 Matchmaker bantou289.B99990002.pdb, chain A (#16) with 5761 _L_protein_Bantou289_m_unrelaxed_rank_004_alphafold2_ptm_model_3_seed_000.pdb, 5762 chain A (#9), sequence alignment score = 10607.2 5763 RMSD between 731 pruned atom pairs is 1.265 angstroms; (across all 2217 pairs: 5764 15.934) 5765 5766 Matchmaker bantou289.B99990002.pdb, chain A (#16) with 5767 _L_protein_Bantou289_m_unrelaxed_rank_005_alphafold2_ptm_model_5_seed_000.pdb, 5768 chain A (#10), sequence alignment score = 10703.8 5769 RMSD between 901 pruned atom pairs is 1.260 angstroms; (across all 2217 pairs: 5770 23.028) 5771 5772 Matchmaker bantou289.B99990002.pdb, chain A (#16) with 5773 _L_protein_Bantou289_m_relaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb, 5774 chain A (#11), sequence alignment score = 10811.8 5775 RMSD between 1217 pruned atom pairs is 0.857 angstroms; (across all 2217 5776 pairs: 2.345) 5777 5778 Matchmaker bantou289.B99990002.pdb, chain A (#16) with 5779 _L_protein_Bantou289_m_relaxed_rank_002_alphafold2_ptm_model_1_seed_000.pdb, 5780 chain A (#12), sequence alignment score = 10817.8 5781 RMSD between 1561 pruned atom pairs is 0.971 angstroms; (across all 2217 5782 pairs: 1.970) 5783 5784 Matchmaker bantou289.B99990002.pdb, chain A (#16) with 5785 _L_protein_Bantou289_m_relaxed_rank_003_alphafold2_ptm_model_4_seed_000.pdb, 5786 chain A (#13), sequence alignment score = 10663.3 5787 RMSD between 791 pruned atom pairs is 1.317 angstroms; (across all 2217 pairs: 5788 20.134) 5789 5790 Matchmaker bantou289.B99990002.pdb, chain A (#16) with 5791 _L_protein_Bantou289_m_relaxed_rank_004_alphafold2_ptm_model_3_seed_000.pdb, 5792 chain A (#14), sequence alignment score = 10619.2 5793 RMSD between 724 pruned atom pairs is 1.258 angstroms; (across all 2217 pairs: 5794 15.933) 5795 5796 Matchmaker bantou289.B99990002.pdb, chain A (#16) with 5797 _L_protein_Bantou289_m_relaxed_rank_005_alphafold2_ptm_model_5_seed_000.pdb, 5798 chain A (#15), sequence alignment score = 10715.2 5799 RMSD between 900 pruned atom pairs is 1.260 angstroms; (across all 2217 pairs: 5800 23.027) 5801 5802 5803 > hide #15 models 5804 5805 > hide #14 models 5806 5807 > hide #13 models 5808 5809 > hide #12 models 5810 5811 > hide #11 models 5812 5813 > hide #10 models 5814 5815 > hide #9 models 5816 5817 > hide #8 models 5818 5819 > hide #7 models 5820 5821 > hide #6 models 5822 5823 > show #6 models 5824 5825 > show #11 models 5826 5827 > hide #16 models 5828 5829 > mmaker #6 to #11 5830 5831 Computing secondary structure 5832 Parameters 5833 --- 5834 Chain pairing | bb 5835 Alignment algorithm | Needleman-Wunsch 5836 Similarity matrix | BLOSUM-62 5837 SS fraction | 0.3 5838 Gap open (HH/SS/other) | 18/18/6 5839 Gap extend | 1 5840 SS matrix | | | H | S | O 5841 ---|---|---|--- 5842 H | 6 | -9 | -6 5843 S | | 6 | -6 5844 O | | | 4 5845 Iteration cutoff | 2 5846 5847 Matchmaker 5848 _L_protein_Bantou289_m_relaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb, 5849 chain A (#11) with 5850 _L_protein_Bantou289_m_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb, 5851 chain A (#6), sequence alignment score = 11294.2 5852 RMSD between 2217 pruned atom pairs is 0.103 angstroms; (across all 2217 5853 pairs: 0.103) 5854 5855 5856 > show #6,11 atoms 5857 5858 > hide #6,11 atoms 5859 5860 > show #6,11 atoms 5861 5862 > hide #11 models 5863 5864 > ui tool show Clashes 5865 5866 > clashes ignoreHiddenModels true 5867 5868 270 clashes 5869 5870 > hide #6 models 5871 5872 > show #11 models 5873 5874 > clashes ignoreHiddenModels true 5875 5876 4 clashes 5877 5878 > show #6 models 5879 5880 > hide #6 models 5881 5882 > hide #11 models 5883 5884 > show #6 models 5885 5886 > clashes ignoreHiddenModels true 5887 5888 270 clashes 5889 5890 > show #11 models 5891 5892 > show #12 models 5893 5894 > hide #12 models 5895 5896 > open 5897 > /Users/gabriele/Downloads/_L_protein_Bantou289_m_relaxed_rank_001_alphafold2_ptm_model_2_seed_000_1FH.pdb 5898 5899 Summary of feedback from opening 5900 /Users/gabriele/Downloads/_L_protein_Bantou289_m_relaxed_rank_001_alphafold2_ptm_model_2_seed_000_1FH.pdb 5901 --- 5902 warnings | Ignored bad PDB record found on line 1 5903 5904 5905 Duplicate atom serial number found: 0 5906 Duplicate atom serial number found: 0 5907 Duplicate atom serial number found: 0 5908 Duplicate atom serial number found: 0 5909 Duplicate atom serial number found: 0 5910 17807 messages similar to the above omitted 5911 5912 Chain information for 5913 _L_protein_Bantou289_m_relaxed_rank_001_alphafold2_ptm_model_2_seed_000_1FH.pdb 5914 #18 5915 --- 5916 Chain | Description 5917 A | No description available 5918 5919 Computing secondary structure 5920 5921 > hide #17 models 5922 5923 > hide #11 models 5924 5925 > hide #6 models 5926 5927 > close #6-18 5928 5929 > show #!1 models 5930 5931 > show #!2 models 5932 5933 > show #!3 models 5934 5935 > show #!4 models 5936 5937 > show #!5 models 5938 5939 > hide #!1 models 5940 5941 > hide #!2 models 5942 5943 > hide #!3 models 5944 5945 > hide #!4 models 5946 5947 > hide #!5 models 5948 5949 > open 5950 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ckl_alphabundle_fit.pdb 5951 5952 7ckl_alphabundle_fit.pdb title: 5953 Structure of lassa virus polymerase bound to Z matrix protein [more info...] 5954 5955 Chain information for 7ckl_alphabundle_fit.pdb #6 5956 --- 5957 Chain | Description 5958 A | RNA-directed RNA polymerase L 5959 5960 5961 > open 5962 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7och_260-380_fit.pdb 5963 5964 Chain information for 7och_260-380_fit.pdb #7 5965 --- 5966 Chain | Description 5967 L | No description available 5968 5969 5970 > open 5971 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oe3_1520-1790_fit.pdb 5972 5973 Chain information for 7oe3_1520-1790_fit.pdb #8 5974 --- 5975 Chain | Description 5976 L | No description available 5977 5978 5979 > open 5980 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7oea_fit.pdb 5981 5982 Chain information for 7oea_fit.pdb #9 5983 --- 5984 Chain | Description 5985 L | No description available 5986 5987 5988 > open 5989 > /Users/gabriele/Desktop/command_line_tools/modeller/l_protein/7oea/7ojn_430-620_fit.pdb 5990 5991 Chain information for 7ojn_430-620_fit.pdb #10 5992 --- 5993 Chain | Description 5994 L | No description available 5995 5996 Computing secondary structure 5997 5998 > show #!1 models 5999 6000 > show #!2 models 6001 6002 > show #!3 models 6003 6004 > show #!4 models 6005 6006 > show #!5 models 6007 6008 > hide #!5 models 6009 6010 > hide #!4 models 6011 6012 > hide #!3 models 6013 6014 > hide #!2 models 6015 6016 > hide #!1 models 6017 6018 > show #!1 models 6019 6020 > hide #!1 models 6021 6022 > hide #!6 models 6023 6024 > hide #!7 models 6025 6026 > hide #!8 models 6027 6028 > hide #!9 models 6029 6030 > hide #10 models 6031 6032 > open 6033 > /Users/gabriele/Desktop/L_protein/L_protein_pdb/L_single_domain_consurf/7ckl_single_domain_consurf.pdb 6034 6035 Summary of feedback from opening 6036 /Users/gabriele/Desktop/L_protein/L_protein_pdb/L_single_domain_consurf/7ckl_single_domain_consurf.pdb 6037 --- 6038 warnings | Start residue of secondary structure not found: HELIX 9 AA9 ASN A 212 CYS A 221 1 10 6039 Start residue of secondary structure not found: HELIX 10 AB1 HIS A 232 GLY A 6040 252 1 21 6041 Start residue of secondary structure not found: HELIX 11 AB2 GLU A 262 ASN A 6042 272 1 11 6043 Start residue of secondary structure not found: HELIX 12 AB3 SER A 283 LYS A 6044 292 1 10 6045 Start residue of secondary structure not found: HELIX 13 AB4 SER A 295 LEU A 6046 301 1 7 6047 77 messages similar to the above omitted 6048 Cannot find LINK/SSBOND residue CYS (1692 ) 6049 Cannot find LINK/SSBOND residue ASP (1192 ) 6050 Cannot find LINK/SSBOND residue ASP (1192 ) 6051 Cannot find LINK/SSBOND residue ASP (1334 ) 6052 Cannot find LINK/SSBOND residue GLU (1384 ) 6053 9 messages similar to the above omitted 6054 6055 7ckl_single_domain_consurf.pdb title: 6056 Structure of lassa virus polymerase bound to Z matrix protein [more info...] 6057 6058 Chain information for 7ckl_single_domain_consurf.pdb #11 6059 --- 6060 Chain | Description 6061 A | RNA-directed RNA polymerase L 6062 B | ring finger protein Z 6063 C | No description available 6064 F | No description available 6065 G | No description available 6066 H | No description available 6067 I | No description available 6068 K | No description available 6069 N | No description available 6070 O | No description available 6071 P | No description available 6072 Q | No description available 6073 S | No description available 6074 T | No description available 6075 Y | No description available 6076 6077 Non-standard residues in 7ckl_single_domain_consurf.pdb #11 6078 --- 6079 MN — manganese (II) ion 6080 THR — (THR) 6081 ZN — zinc ion 6082 6083 6084 > hide #!11 models 6085 6086 > close #11 6087 6088 > open 6089 > /Users/gabriele/Desktop/L_protein/L_protein_pdb/consurf_models/my_msa_consurf_7ckl.pdb 6090 6091 my_msa_consurf_7ckl.pdb title: 6092 Structure of lassa virus polymerase bound to Z matrix protein [more info...] 6093 6094 Chain information for my_msa_consurf_7ckl.pdb #11 6095 --- 6096 Chain | Description 6097 A | RNA-directed RNA polymerase L 6098 B | ring finger protein Z 6099 6100 Non-standard residues in my_msa_consurf_7ckl.pdb #11 6101 --- 6102 MN — manganese (II) ion 6103 ZN — zinc ion 6104 6105 6106 > hide #!11.2 models 6107 6108 > ui tool show "Render/Select by Attribute" 6109 6110 > color byattribute a:bfactor #!11 target absc palette 6111 > 0,#a02760:4.5,white:9,#0c7d82 6112 6113 11521 atoms, 1467 residues, atom bfactor range 0 to 9 6114 6115 Cell requested for row 0 is out of bounds for table with 13 rows! Resizing 6116 table model. 6117 6118 > color byattribute a:bfactor #!11 target absc palette 6119 > 0,#0c7d82:4.5,white:9,#a02760 6120 6121 11521 atoms, 1467 residues, atom bfactor range 0 to 9 6122 6123 > set bgColor white 6124 6125 > set bgColor #ffffff00 6126 6127 > lighting soft 6128 6129 > select #11/L 6130 6131 Nothing selected 6132 6133 > select #11/A 6134 6135 11138 atoms, 11335 bonds, 22 pseudobonds, 1416 residues, 3 models selected 6136 6137 > show sel surfaces 6138 6139 > transparency (#!11 & sel) 60 6140 6141 > ui tool show PICKLUSTER 6142 6143 Please register the custom scheme 'pickluster' via 6144 QWebEngineUrlScheme::registerScheme() before installing the custom scheme 6145 handler. 6146 6147 Cluster information for my_msa_consurf_7ckl.pdb['A', 'B'] 6148 --- 6149 Cluster | Residues 6150 1 | [['A', 'LYS', 263], ['A', 'ASP', 605], ['A', 'ASN', 607], ['A', 'GLU', 608], ['A', 'VAL', 650], ['A', 'SER', 651], ['A', 'VAL', 690], ['A', 'LYS', 691], ['A', 'SER', 692], ['A', 'MET', 693], ['A', 'MET', 694], ['A', 'THR', 695], ['A', 'PHE', 698], ['A', 'SER', 1183], ['A', 'MET', 1184], ['A', 'ALA', 1185], ['A', 'ARG', 1380], ['A', 'PHE', 1381], ['A', 'VAL', 1391], ['A', 'TRP', 1392], ['B', 'PRO', 28], ['B', 'PHE', 30], ['B', 'CYS', 31], ['B', 'LYS', 32], ['B', 'SER', 33], ['B', 'CYS', 34], ['B', 'TRP', 35], ['B', 'PHE', 36], ['B', 'ASN', 52], ['B', 'CYS', 53], ['B', 'LEU', 56], ['B', 'LEU', 57], ['B', 'GLY', 59], ['B', 'VAL', 60], ['B', 'PRO', 65]] 6151 2 | [['A', 'HIS', 1348], ['B', 'ASN', 38]] 6152 6153 Calculation of interface was successful 6154 Interactions in clusters in my_msa_consurf_7ckl.pdb['A', 'B'] 6155 --- 6156 Cluster | Interactions 6157 1 | [[['A', 'LYS', 263], ['B', 'PHE', 36]], [['A', 'ASP', 605], ['B', 'VAL', 60]], [['A', 'ASN', 607], ['B', 'LEU', 56]], [['A', 'ASN', 607], ['B', 'VAL', 60]], [['A', 'ASN', 607], ['B', 'GLY', 59]], [['A', 'ASN', 607], ['B', 'LEU', 57]], [['A', 'GLU', 608], ['B', 'LEU', 56]], [['A', 'VAL', 650], ['B', 'PHE', 36]], [['A', 'VAL', 650], ['B', 'TRP', 35]], [['A', 'SER', 651], ['B', 'PHE', 36]], [['A', 'VAL', 690], ['B', 'LEU', 56]], [['A', 'LYS', 691], ['B', 'ASN', 52]], [['A', 'LYS', 691], ['B', 'CYS', 34]], [['A', 'LYS', 691], ['B', 'LEU', 56]], [['A', 'LYS', 691], ['B', 'CYS', 53]], [['A', 'SER', 692], ['B', 'SER', 33]], [['A', 'SER', 692], ['B', 'LEU', 56]], [['A', 'SER', 692], ['B', 'LEU', 57]], [['A', 'SER', 692], ['B', 'CYS', 34]], [['A', 'SER', 692], ['B', 'CYS', 53]], [['A', 'MET', 693], ['B', 'SER', 33]], [['A', 'MET', 693], ['B', 'PRO', 65]], [['A', 'MET', 693], ['B', 'LEU', 57]], [['A', 'MET', 693], ['B', 'CYS', 34]], [['A', 'MET', 694], ['B', 'TRP', 35]], [['A', 'MET', 694], ['B', 'SER', 33]], [['A', 'MET', 694], ['B', 'CYS', 34]], [['A', 'THR', 695], ['B', 'TRP', 35]], [['A', 'THR', 695], ['B', 'LYS', 32]], [['A', 'THR', 695], ['B', 'SER', 33]], [['A', 'PHE', 698], ['B', 'TRP', 35]], [['A', 'SER', 1183], ['B', 'PRO', 28]], [['A', 'MET', 1184], ['B', 'PRO', 28]], [['A', 'ALA', 1185], ['B', 'PHE', 30]], [['A', 'ALA', 1185], ['B', 'PRO', 28]], [['A', 'ARG', 1380], ['B', 'PHE', 30]], [['A', 'PHE', 1381], ['B', 'PHE', 30]], [['A', 'PHE', 1381], ['B', 'TRP', 35]], [['A', 'VAL', 1391], ['B', 'TRP', 35]], [['A', 'TRP', 1392], ['B', 'LYS', 32]], [['A', 'TRP', 1392], ['B', 'TRP', 35]], [['A', 'TRP', 1392], ['B', 'CYS', 31]]] 6158 2 | [[['A', 'HIS', 1348], ['B', 'ASN', 38]]] 6159 6160 Mean pLDDT of clusters in my_msa_consurf_7ckl.pdb['A', 'B'] 6161 --- 6162 Cluster | Mean pLDDT 6163 1 | 8.23 6164 2 | 9.0 6165 6166 6167 > hide #!11 surfaces 6168 6169 > select #11 /A :263 #11 /A :605 #11 /A :607 #11 /A :608 #11 /A :650 #11 /A 6170 > :651 #11 /A :690 #11 /A :691 #11 /A :692 #11 /A :693 #11 /A :694 #11 /A :695 6171 > #11 /A :698 #11 /A :1183 #11 /A :1184 #11 /A :1185 #11 /A :1380 #11 /A :1381 6172 > #11 /A :1391 #11 /A :1392 #11 /B :28 #11 /B :30 #11 /B :31 #11 /B :32 #11 /B 6173 > :33 #11 /B :34 #11 /B :35 #11 /B :36 #11 /B :52 #11 /B :53 #11 /B :56 #11 /B 6174 > :57 #11 /B :59 #11 /B :60 #11 /B :65 6175 6176 283 atoms, 278 bonds, 292 pseudobonds, 35 residues, 2 models selected 6177 6178 > select #11/B:25-73 6179 6180 381 atoms, 391 bonds, 49 residues, 1 model selected 6181 6182 > hide sel cartoons 6183 6184 > show sel surfaces 6185 6186 > hide sel surfaces 6187 6188 > show sel cartoons 6189 6190 > ~select 6191 6192 Nothing selected 6193 Drag select of 100 residues 6194 6195 > select add #11/A:1356 6196 6197 817 atoms, 4 bonds, 101 residues, 2 models selected 6198 Drag select of 4 atoms, 153 residues, 4 bonds, 12 pseudobonds 6199 6200 > select subtract #11/B:35 6201 6202 1299 atoms, 8 bonds, 12 pseudobonds, 155 residues, 4 models selected 6203 Drag select of 64 residues 6204 6205 > select subtract #11/A:598 6206 6207 1237 atoms, 8 bonds, 12 pseudobonds, 150 residues, 3 models selected 6208 Drag select of 51 residues 6209 6210 > select clear 6211 6212 Drag select of 29 atoms, 278 residues, 58 pseudobonds, 23 bonds 6213 6214 > select subtract #11/B:29 6215 6216 2254 atoms, 23 bonds, 58 pseudobonds, 279 residues, 5 models selected 6217 6218 > select subtract #11/B:28 6219 6220 2247 atoms, 23 bonds, 57 pseudobonds, 278 residues, 5 models selected 6221 Drag select of 8 atoms, 16 residues, 3 pseudobonds, 5 bonds 6222 Drag select of 4 atoms, 21 residues, 1 pseudobonds, 2 bonds 6223 6224 > select subtract #11/B:69 6225 6226 2253 atoms, 24 bonds, 57 pseudobonds, 280 residues, 5 models selected 6227 6228 > select subtract #11/B:64 6229 6230 2250 atoms, 22 bonds, 56 pseudobonds, 279 residues, 5 models selected 6231 6232 > select subtract #11/B:71 6233 6234 2242 atoms, 22 bonds, 56 pseudobonds, 278 residues, 5 models selected 6235 6236 > select subtract #11/B:44 6237 6238 2238 atoms, 21 bonds, 56 pseudobonds, 277 residues, 5 models selected 6239 6240 > select subtract #11/B:47 6241 6242 2235 atoms, 15 bonds, 56 pseudobonds, 276 residues, 5 models selected 6243 6244 > select subtract #11/B:25 6245 6246 2225 atoms, 15 bonds, 56 pseudobonds, 275 residues, 5 models selected 6247 6248 > select subtract #11/B:102@ZN 6249 6250 2224 atoms, 15 bonds, 56 pseudobonds, 274 residues, 5 models selected 6251 6252 > select subtract #11/B:54 6253 6254 2216 atoms, 15 bonds, 56 pseudobonds, 273 residues, 5 models selected 6255 6256 > select subtract #11/B:43 6257 6258 2207 atoms, 15 bonds, 56 pseudobonds, 272 residues, 5 models selected 6259 6260 > select add #11/B:54 6261 6262 2215 atoms, 22 bonds, 56 pseudobonds, 273 residues, 5 models selected 6263 6264 > select subtract #11/B:54 6265 6266 2207 atoms, 15 bonds, 56 pseudobonds, 272 residues, 5 models selected 6267 6268 > select subtract #11/B:55 6269 6270 2200 atoms, 15 bonds, 56 pseudobonds, 271 residues, 5 models selected 6271 6272 > select add #11/B:28 6273 6274 2207 atoms, 22 bonds, 56 pseudobonds, 272 residues, 5 models selected 6275 6276 > select subtract #11/B:27 6277 6278 2203 atoms, 22 bonds, 56 pseudobonds, 271 residues, 5 models selected 6279 6280 > select subtract #11/B:37 6281 6282 2194 atoms, 22 bonds, 56 pseudobonds, 270 residues, 5 models selected 6283 6284 > select subtract #11/B:36 6285 6286 2183 atoms, 22 bonds, 56 pseudobonds, 269 residues, 5 models selected 6287 6288 > select subtract #11/B:35 6289 6290 2169 atoms, 22 bonds, 56 pseudobonds, 268 residues, 5 models selected 6291 6292 > select subtract #11/B:34 6293 6294 2166 atoms, 20 bonds, 39 pseudobonds, 267 residues, 5 models selected 6295 6296 > select add #11/B:34 6297 6298 2172 atoms, 25 bonds, 39 pseudobonds, 268 residues, 5 models selected 6299 6300 > select subtract #11/B:34 6301 6302 2166 atoms, 20 bonds, 39 pseudobonds, 267 residues, 5 models selected 6303 6304 > select add #11/B:34 6305 6306 2172 atoms, 25 bonds, 39 pseudobonds, 268 residues, 5 models selected 6307 6308 > select subtract #11/B:34 6309 6310 2166 atoms, 20 bonds, 39 pseudobonds, 267 residues, 5 models selected 6311 6312 > select subtract #11/B:28 6313 6314 2159 atoms, 13 bonds, 39 pseudobonds, 266 residues, 5 models selected 6315 6316 > select subtract #11/B:30 6317 6318 2148 atoms, 13 bonds, 39 pseudobonds, 265 residues, 5 models selected 6319 6320 > select subtract #11/B:31 6321 6322 2143 atoms, 12 bonds, 39 pseudobonds, 264 residues, 5 models selected 6323 6324 > select subtract #11/B:32 6325 6326 2134 atoms, 12 bonds, 39 pseudobonds, 263 residues, 5 models selected 6327 6328 > select subtract #11/B:56 6329 6330 2126 atoms, 12 bonds, 39 pseudobonds, 262 residues, 5 models selected 6331 6332 > select subtract #11/B:33 6333 6334 2123 atoms, 10 bonds, 8 pseudobonds, 261 residues, 5 models selected 6335 6336 > select subtract #11/A:692 6337 6338 2117 atoms, 10 bonds, 7 pseudobonds, 260 residues, 4 models selected 6339 6340 > select add #11/A:692 6341 6342 2123 atoms, 15 bonds, 7 pseudobonds, 261 residues, 4 models selected 6343 6344 > select subtract #11/A:691 6345 6346 2114 atoms, 15 bonds, 5 pseudobonds, 260 residues, 3 models selected 6347 6348 > select add #11/A:691 6349 6350 2123 atoms, 23 bonds, 5 pseudobonds, 261 residues, 3 models selected 6351 6352 > show sel surfaces 6353 6354 > hide sel surfaces 6355 6356 > coulombic sel 6357 6358 The following residues are missing heavy (non-hydrogen) atoms, which may 6359 result in inaccurate electrostatics: 6360 my_msa_consurf_7ckl.pdb #11/A ARG 24 6361 my_msa_consurf_7ckl.pdb #11/A LYS 121 6362 my_msa_consurf_7ckl.pdb #11/A GLU 128 6363 my_msa_consurf_7ckl.pdb #11/A ARG 161 6364 my_msa_consurf_7ckl.pdb #11/A PHE 165 6365 my_msa_consurf_7ckl.pdb #11/A GLU 179 6366 my_msa_consurf_7ckl.pdb #11/A GLU 180 6367 my_msa_consurf_7ckl.pdb #11/A ASN 846 6368 my_msa_consurf_7ckl.pdb #11/A LYS 847 6369 my_msa_consurf_7ckl.pdb #11/A LEU 848 6370 my_msa_consurf_7ckl.pdb #11/A THR 849 6371 my_msa_consurf_7ckl.pdb #11/A LEU 851 6372 my_msa_consurf_7ckl.pdb #11/A VAL 853 6373 my_msa_consurf_7ckl.pdb #11/A SER 854 6374 my_msa_consurf_7ckl.pdb #11/A GLN 855 6375 my_msa_consurf_7ckl.pdb #11/A LEU 856 6376 my_msa_consurf_7ckl.pdb #11/A THR 857 6377 my_msa_consurf_7ckl.pdb #11/A GLU 858 6378 my_msa_consurf_7ckl.pdb #11/A VAL 859 6379 my_msa_consurf_7ckl.pdb #11/A PHE 860 6380 my_msa_consurf_7ckl.pdb #11/A SER 861 6381 my_msa_consurf_7ckl.pdb #11/A ARG 862 6382 my_msa_consurf_7ckl.pdb #11/A ASP 872 6383 my_msa_consurf_7ckl.pdb #11/A TYR 873 6384 my_msa_consurf_7ckl.pdb #11/A GLU 874 6385 my_msa_consurf_7ckl.pdb #11/A TYR 875 6386 my_msa_consurf_7ckl.pdb #11/A LYS 876 6387 my_msa_consurf_7ckl.pdb #11/A VAL 877 6388 my_msa_consurf_7ckl.pdb #11/A GLN 878 6389 my_msa_consurf_7ckl.pdb #11/A GLN 879 6390 my_msa_consurf_7ckl.pdb #11/A MET 881 6391 my_msa_consurf_7ckl.pdb #11/A SER 882 6392 my_msa_consurf_7ckl.pdb #11/A ASN 883 6393 my_msa_consurf_7ckl.pdb #11/A LEU 884 6394 my_msa_consurf_7ckl.pdb #11/A VAL 885 6395 my_msa_consurf_7ckl.pdb #11/A LEU 886 6396 my_msa_consurf_7ckl.pdb #11/A SER 888 6397 my_msa_consurf_7ckl.pdb #11/A LYS 889 6398 my_msa_consurf_7ckl.pdb #11/A GLN 890 6399 my_msa_consurf_7ckl.pdb #11/A HIS 891 6400 my_msa_consurf_7ckl.pdb #11/A ASP 901 6401 my_msa_consurf_7ckl.pdb #11/A GLU 902 6402 my_msa_consurf_7ckl.pdb #11/A ILE 903 6403 my_msa_consurf_7ckl.pdb #11/A LEU 904 6404 my_msa_consurf_7ckl.pdb #11/A LEU 905 6405 my_msa_consurf_7ckl.pdb #11/A ASP 906 6406 my_msa_consurf_7ckl.pdb #11/A SER 910 6407 my_msa_consurf_7ckl.pdb #11/A THR 911 6408 my_msa_consurf_7ckl.pdb #11/A GLN 915 6409 my_msa_consurf_7ckl.pdb #11/A LEU 916 6410 my_msa_consurf_7ckl.pdb #11/A LYS 917 6411 my_msa_consurf_7ckl.pdb #11/A GLU 918 6412 my_msa_consurf_7ckl.pdb #11/A THR 919 6413 my_msa_consurf_7ckl.pdb #11/A VAL 920 6414 my_msa_consurf_7ckl.pdb #11/A GLU 921 6415 my_msa_consurf_7ckl.pdb #11/A LYS 922 6416 my_msa_consurf_7ckl.pdb #11/A ILE 923 6417 my_msa_consurf_7ckl.pdb #11/A VAL 924 6418 my_msa_consurf_7ckl.pdb #11/A ASP 925 6419 my_msa_consurf_7ckl.pdb #11/A GLN 926 6420 my_msa_consurf_7ckl.pdb #11/A TYR 927 6421 my_msa_consurf_7ckl.pdb #11/A ARG 928 6422 my_msa_consurf_7ckl.pdb #11/A GLU 929 6423 my_msa_consurf_7ckl.pdb #11/A PRO 930 6424 my_msa_consurf_7ckl.pdb #11/A VAL 931 6425 my_msa_consurf_7ckl.pdb #11/A LYS 1096 6426 my_msa_consurf_7ckl.pdb #11/A PHE 1100 6427 my_msa_consurf_7ckl.pdb #11/A VAL 1284 6428 my_msa_consurf_7ckl.pdb #11/A LYS 1710 6429 my_msa_consurf_7ckl.pdb #11/A ARG 1750 6430 6431 Using Amber 20 recommended default charges and atom types for standard 6432 residues 6433 Coulombic values for my_msa_consurf_7ckl.pdb_A SES surface #11.3: minimum, 6434 -27.08, mean -1.50, maximum 19.17 6435 To also show corresponding color key, enter the above coulombic command and 6436 add key true 6437 6438 > coulombic sel 6439 6440 Coulombic values for my_msa_consurf_7ckl.pdb_A SES surface #11.3: minimum, 6441 -27.08, mean -1.50, maximum 19.17 6442 To also show corresponding color key, enter the above coulombic command and 6443 add key true 6444 6445 > show sel surfaces 6446 6447 > hide sel surfaces 6448 6449 > show sel surfaces 6450 6451 > surface style #11.3 solid 6452 6453 > close #11 6454 6455 > open 6456 > /Users/gabriele/Desktop/L_protein/L_protein_pdb/consurf_models/my_msa_consurf_7ckl.pdb 6457 6458 my_msa_consurf_7ckl.pdb title: 6459 Structure of lassa virus polymerase bound to Z matrix protein [more info...] 6460 6461 Chain information for my_msa_consurf_7ckl.pdb #11 6462 --- 6463 Chain | Description 6464 A | RNA-directed RNA polymerase L 6465 B | ring finger protein Z 6466 6467 Non-standard residues in my_msa_consurf_7ckl.pdb #11 6468 --- 6469 MN — manganese (II) ion 6470 ZN — zinc ion 6471 6472 6473 > close #12 6474 6475 > hide #!11.2 models 6476 6477 > show #!11.2 models 6478 6479 > hide #11.1 models 6480 6481 > show #11.1 models 6482 6483 > hide #!11.2 models 6484 6485 > ui tool show PICKLUSTER 6486 6487 Please register the custom scheme 'pickluster' via 6488 QWebEngineUrlScheme::registerScheme() before installing the custom scheme 6489 handler. 6490 6491 Cluster information for my_msa_consurf_7ckl.pdb['A', 'B'] 6492 --- 6493 Cluster | Residues 6494 1 | [['A', 'LYS', 263], ['A', 'ASP', 605], ['A', 'ASN', 607], ['A', 'GLU', 608], ['A', 'VAL', 650], ['A', 'SER', 651], ['A', 'VAL', 690], ['A', 'LYS', 691], ['A', 'SER', 692], ['A', 'MET', 693], ['A', 'MET', 694], ['A', 'THR', 695], ['A', 'PHE', 698], ['A', 'SER', 1183], ['A', 'MET', 1184], ['A', 'ALA', 1185], ['A', 'ARG', 1380], ['A', 'PHE', 1381], ['A', 'VAL', 1391], ['A', 'TRP', 1392], ['B', 'PRO', 28], ['B', 'PHE', 30], ['B', 'CYS', 31], ['B', 'LYS', 32], ['B', 'SER', 33], ['B', 'CYS', 34], ['B', 'TRP', 35], ['B', 'PHE', 36], ['B', 'ASN', 52], ['B', 'CYS', 53], ['B', 'LEU', 56], ['B', 'LEU', 57], ['B', 'GLY', 59], ['B', 'VAL', 60], ['B', 'PRO', 65]] 6495 2 | [['A', 'HIS', 1348], ['B', 'ASN', 38]] 6496 6497 Calculation of interface was successful 6498 Interactions in clusters in my_msa_consurf_7ckl.pdb['A', 'B'] 6499 --- 6500 Cluster | Interactions 6501 1 | [[['A', 'LYS', 263], ['B', 'PHE', 36]], [['A', 'ASP', 605], ['B', 'VAL', 60]], [['A', 'ASN', 607], ['B', 'LEU', 56]], [['A', 'ASN', 607], ['B', 'VAL', 60]], [['A', 'ASN', 607], ['B', 'GLY', 59]], [['A', 'ASN', 607], ['B', 'LEU', 57]], [['A', 'GLU', 608], ['B', 'LEU', 56]], [['A', 'VAL', 650], ['B', 'PHE', 36]], [['A', 'VAL', 650], ['B', 'TRP', 35]], [['A', 'SER', 651], ['B', 'PHE', 36]], [['A', 'VAL', 690], ['B', 'LEU', 56]], [['A', 'LYS', 691], ['B', 'ASN', 52]], [['A', 'LYS', 691], ['B', 'CYS', 34]], [['A', 'LYS', 691], ['B', 'LEU', 56]], [['A', 'LYS', 691], ['B', 'CYS', 53]], [['A', 'SER', 692], ['B', 'SER', 33]], [['A', 'SER', 692], ['B', 'LEU', 56]], [['A', 'SER', 692], ['B', 'LEU', 57]], [['A', 'SER', 692], ['B', 'CYS', 34]], [['A', 'SER', 692], ['B', 'CYS', 53]], [['A', 'MET', 693], ['B', 'SER', 33]], [['A', 'MET', 693], ['B', 'PRO', 65]], [['A', 'MET', 693], ['B', 'LEU', 57]], [['A', 'MET', 693], ['B', 'CYS', 34]], [['A', 'MET', 694], ['B', 'TRP', 35]], [['A', 'MET', 694], ['B', 'SER', 33]], [['A', 'MET', 694], ['B', 'CYS', 34]], [['A', 'THR', 695], ['B', 'TRP', 35]], [['A', 'THR', 695], ['B', 'LYS', 32]], [['A', 'THR', 695], ['B', 'SER', 33]], [['A', 'PHE', 698], ['B', 'TRP', 35]], [['A', 'SER', 1183], ['B', 'PRO', 28]], [['A', 'MET', 1184], ['B', 'PRO', 28]], [['A', 'ALA', 1185], ['B', 'PHE', 30]], [['A', 'ALA', 1185], ['B', 'PRO', 28]], [['A', 'ARG', 1380], ['B', 'PHE', 30]], [['A', 'PHE', 1381], ['B', 'PHE', 30]], [['A', 'PHE', 1381], ['B', 'TRP', 35]], [['A', 'VAL', 1391], ['B', 'TRP', 35]], [['A', 'TRP', 1392], ['B', 'LYS', 32]], [['A', 'TRP', 1392], ['B', 'TRP', 35]], [['A', 'TRP', 1392], ['B', 'CYS', 31]]] 6502 2 | [[['A', 'HIS', 1348], ['B', 'ASN', 38]]] 6503 6504 Mean pLDDT of clusters in my_msa_consurf_7ckl.pdb['A', 'B'] 6505 --- 6506 Cluster | Mean pLDDT 6507 1 | 8.23 6508 2 | 9.0 6509 6510 Drag select of 1 residues 6511 6512 > select #11/A:1710 6513 6514 5 atoms, 4 bonds, 1 residue, 1 model selected 6515 6516 > select #11/A:1710 6517 6518 5 atoms, 4 bonds, 1 residue, 1 model selected 6519 6520 > select #11/A:1710 6521 6522 5 atoms, 4 bonds, 1 residue, 1 model selected 6523 6524 > select subtract #11/A:1710 6525 6526 Nothing selected 6527 Drag select of 34 atoms, 279 residues, 59 pseudobonds, 25 bonds 6528 6529 > select subtract #11/A:1430 6530 6531 2255 atoms, 25 bonds, 59 pseudobonds, 280 residues, 3 models selected 6532 6533 > select subtract #11/A:1431 6534 6535 2250 atoms, 25 bonds, 59 pseudobonds, 279 residues, 3 models selected 6536 6537 > select subtract #11/A:1432 6538 6539 2242 atoms, 25 bonds, 59 pseudobonds, 278 residues, 3 models selected 6540 6541 > select subtract #11/A:1433 6542 6543 2238 atoms, 25 bonds, 59 pseudobonds, 277 residues, 3 models selected 6544 6545 > select subtract #11/A:1469 6546 6547 2227 atoms, 25 bonds, 59 pseudobonds, 276 residues, 3 models selected 6548 6549 > select subtract #11/A:1467 6550 6551 2219 atoms, 25 bonds, 59 pseudobonds, 275 residues, 3 models selected 6552 6553 > select subtract #11/A:1466 6554 6555 2212 atoms, 25 bonds, 59 pseudobonds, 274 residues, 3 models selected 6556 6557 > select subtract #11/A:1468 6558 6559 2205 atoms, 25 bonds, 59 pseudobonds, 273 residues, 3 models selected 6560 6561 > select subtract #11/A:1440 6562 6563 2197 atoms, 25 bonds, 59 pseudobonds, 272 residues, 3 models selected 6564 6565 > select subtract #11/A:1439 6566 6567 2191 atoms, 25 bonds, 59 pseudobonds, 271 residues, 3 models selected 6568 6569 > select subtract #11/A:1441 6570 6571 2183 atoms, 25 bonds, 59 pseudobonds, 270 residues, 3 models selected 6572 6573 > select subtract #11/A:1438 6574 6575 2175 atoms, 25 bonds, 59 pseudobonds, 269 residues, 3 models selected 6576 6577 > select subtract #11/A:1437 6578 6579 2165 atoms, 25 bonds, 59 pseudobonds, 268 residues, 3 models selected 6580 6581 > select subtract #11/A:1436 6582 6583 2158 atoms, 25 bonds, 59 pseudobonds, 267 residues, 3 models selected 6584 6585 > select subtract #11/A:1435 6586 6587 2151 atoms, 25 bonds, 59 pseudobonds, 266 residues, 3 models selected 6588 6589 > select subtract #11/A:1401 6590 6591 2142 atoms, 25 bonds, 59 pseudobonds, 265 residues, 3 models selected 6592 6593 > select add #11/A:1401 6594 6595 2151 atoms, 33 bonds, 59 pseudobonds, 266 residues, 3 models selected 6596 6597 > select subtract #11/A:1401 6598 6599 2142 atoms, 25 bonds, 59 pseudobonds, 265 residues, 3 models selected 6600 6601 > select subtract #11/A:1400 6602 6603 2135 atoms, 25 bonds, 59 pseudobonds, 264 residues, 3 models selected 6604 6605 > select subtract #11/A:1399 6606 6607 2127 atoms, 25 bonds, 59 pseudobonds, 263 residues, 3 models selected 6608 6609 > select subtract #11/A:1398 6610 6611 2119 atoms, 25 bonds, 59 pseudobonds, 262 residues, 3 models selected 6612 6613 > select subtract #11/A:1434 6614 6615 2112 atoms, 25 bonds, 59 pseudobonds, 261 residues, 3 models selected 6616 Drag select of 16 atoms, 39 residues, 5 pseudobonds, 12 bonds 6617 6618 > select subtract #11/B:42 6619 6620 2042 atoms, 17 bonds, 54 pseudobonds, 253 residues, 3 models selected 6621 6622 > select subtract #11/B:71 6623 6624 2034 atoms, 17 bonds, 54 pseudobonds, 252 residues, 3 models selected 6625 6626 > select subtract #11/B:72 6627 6628 2027 atoms, 17 bonds, 54 pseudobonds, 251 residues, 3 models selected 6629 6630 > select subtract #11/B:73 6631 6632 2020 atoms, 17 bonds, 54 pseudobonds, 250 residues, 3 models selected 6633 6634 > select subtract #11/B:43 6635 6636 2011 atoms, 17 bonds, 54 pseudobonds, 249 residues, 3 models selected 6637 6638 > select subtract #11/B:41 6639 6640 2003 atoms, 17 bonds, 54 pseudobonds, 248 residues, 3 models selected 6641 6642 > select subtract #11/B:40 6643 6644 1999 atoms, 17 bonds, 54 pseudobonds, 247 residues, 3 models selected 6645 6646 > select subtract #11/B:62 6647 6648 1993 atoms, 17 bonds, 54 pseudobonds, 246 residues, 3 models selected 6649 6650 > select subtract #11/B:47 6651 6652 1990 atoms, 15 bonds, 54 pseudobonds, 245 residues, 3 models selected 6653 6654 > select subtract #11/B:58 6655 6656 1982 atoms, 15 bonds, 54 pseudobonds, 244 residues, 3 models selected 6657 6658 > select subtract #11/B:59 6659 6660 1978 atoms, 15 bonds, 54 pseudobonds, 243 residues, 3 models selected 6661 6662 > select subtract #11/B:67 6663 6664 1975 atoms, 13 bonds, 54 pseudobonds, 242 residues, 3 models selected 6665 6666 > select subtract #11/B:66 6667 6668 1967 atoms, 13 bonds, 54 pseudobonds, 241 residues, 3 models selected 6669 6670 > select subtract #11/B:65 6671 6672 1960 atoms, 13 bonds, 54 pseudobonds, 240 residues, 3 models selected 6673 6674 > select subtract #11/B:68 6675 6676 1951 atoms, 13 bonds, 54 pseudobonds, 239 residues, 3 models selected 6677 6678 > select subtract #11/B:54 6679 6680 1943 atoms, 13 bonds, 54 pseudobonds, 238 residues, 3 models selected 6681 6682 > select add #11/B:49 6683 6684 1951 atoms, 20 bonds, 54 pseudobonds, 239 residues, 3 models selected 6685 6686 > select subtract #11/B:49 6687 6688 1943 atoms, 13 bonds, 54 pseudobonds, 238 residues, 3 models selected 6689 6690 > select add #11/B:54 6691 6692 1951 atoms, 20 bonds, 54 pseudobonds, 239 residues, 3 models selected 6693 6694 > select subtract #11/B:55 6695 6696 1944 atoms, 20 bonds, 54 pseudobonds, 238 residues, 3 models selected 6697 6698 > select subtract #11/B:54 6699 6700 1936 atoms, 13 bonds, 54 pseudobonds, 237 residues, 3 models selected 6701 6702 > select subtract #11/B:53 6703 6704 1934 atoms, 12 bonds, 50 pseudobonds, 236 residues, 3 models selected 6705 6706 > select subtract #11/B:56 6707 6708 1926 atoms, 12 bonds, 50 pseudobonds, 235 residues, 3 models selected 6709 6710 > select subtract #11/B:52 6711 6712 1918 atoms, 12 bonds, 50 pseudobonds, 234 residues, 3 models selected 6713 6714 > select subtract #11/B:50 6715 6716 1916 atoms, 10 bonds, 50 pseudobonds, 233 residues, 3 models selected 6717 6718 > select subtract #11/B:51 6719 6720 1908 atoms, 10 bonds, 50 pseudobonds, 232 residues, 3 models selected 6721 6722 > select subtract #11/B:36 6723 6724 1897 atoms, 10 bonds, 50 pseudobonds, 231 residues, 3 models selected 6725 6726 > select subtract #11/B:35 6727 6728 1883 atoms, 10 bonds, 50 pseudobonds, 230 residues, 3 models selected 6729 6730 > select subtract #11/B:33 6731 6732 1880 atoms, 8 bonds, 19 pseudobonds, 229 residues, 3 models selected 6733 6734 > select subtract #11/A:1183 6735 6736 1874 atoms, 8 bonds, 18 pseudobonds, 228 residues, 3 models selected 6737 6738 > select add #11/A:1183 6739 6740 1880 atoms, 13 bonds, 18 pseudobonds, 229 residues, 3 models selected 6741 6742 > select subtract #11/B:34 6743 6744 1877 atoms, 11 bonds, 1 pseudobond, 228 residues, 2 models selected 6745 6746 > select subtract #11/B:32 6747 6748 1868 atoms, 11 bonds, 1 pseudobond, 227 residues, 2 models selected 6749 6750 > select subtract #11/B:31 6751 6752 1865 atoms, 9 bonds, 226 residues, 1 model selected 6753 6754 > select subtract #11/B:101@ZN 6755 6756 1864 atoms, 9 bonds, 225 residues, 1 model selected 6757 6758 > select clear 6759 6760 > select #11/A:1392 6761 6762 14 atoms, 15 bonds, 1 residue, 1 model selected 6763 6764 > select #11/A:1391 6765 6766 7 atoms, 6 bonds, 1 residue, 1 model selected 6767 6768 > select add #11/A:1392 6769 6770 21 atoms, 21 bonds, 2 residues, 1 model selected 6771 6772 > select add #11/A:1381 6773 6774 32 atoms, 32 bonds, 3 residues, 1 model selected 6775 6776 > select add #11/A:1380 6777 6778 43 atoms, 42 bonds, 4 residues, 1 model selected 6779 6780 > select add #11/A:1183 6781 6782 49 atoms, 47 bonds, 5 residues, 1 model selected 6783 6784 > select add #11/A:1184 6785 6786 57 atoms, 54 bonds, 6 residues, 1 model selected 6787 6788 > select add #11/A:1185 6789 6790 62 atoms, 58 bonds, 7 residues, 1 model selected 6791 6792 > select add #11/A:650 6793 6794 69 atoms, 64 bonds, 8 residues, 1 model selected 6795 6796 > select add #11/A:651 6797 6798 75 atoms, 69 bonds, 9 residues, 1 model selected 6799 6800 > select add #11/A:698 6801 6802 86 atoms, 80 bonds, 10 residues, 1 model selected 6803 6804 > select add #11/A:695 6805 6806 93 atoms, 86 bonds, 11 residues, 1 model selected 6807 6808 > select add #11/A:694 6809 6810 101 atoms, 93 bonds, 12 residues, 1 model selected 6811 6812 > select add #11/A:693 6813 6814 109 atoms, 100 bonds, 13 residues, 1 model selected 6815 6816 > select add #11/A:692 6817 6818 115 atoms, 105 bonds, 14 residues, 1 model selected 6819 6820 > select add #11/A:691 6821 6822 124 atoms, 113 bonds, 15 residues, 1 model selected 6823 6824 > select add #11/A:607 6825 6826 132 atoms, 120 bonds, 16 residues, 1 model selected 6827 6828 > select add #11/A:608 6829 6830 141 atoms, 128 bonds, 17 residues, 1 model selected 6831 6832 > select add #11/A:605 6833 6834 149 atoms, 135 bonds, 18 residues, 1 model selected 6835 6836 > select add #11/A:263 6837 6838 158 atoms, 143 bonds, 19 residues, 1 model selected 6839 6840 > select add #11/B:38 6841 6842 166 atoms, 150 bonds, 20 residues, 1 model selected 6843 6844 > select add #11/A:1348 6845 6846 176 atoms, 160 bonds, 21 residues, 1 model selected 6847 6848 > select add #11/B:28 6849 6850 183 atoms, 167 bonds, 22 residues, 1 model selected 6851 6852 > select add #11/B:52 6853 6854 191 atoms, 174 bonds, 23 residues, 1 model selected 6855 6856 > select add #11/B:53 6857 6858 197 atoms, 179 bonds, 24 residues, 1 model selected 6859 6860 > select add #11/B:56 6861 6862 205 atoms, 186 bonds, 25 residues, 1 model selected 6863 6864 > select add #11/B:57 6865 6866 213 atoms, 193 bonds, 26 residues, 1 model selected 6867 6868 > select add #11/B:59 6869 6870 217 atoms, 196 bonds, 27 residues, 1 model selected 6871 6872 > select add #11/B:60 6873 6874 224 atoms, 202 bonds, 28 residues, 1 model selected 6875 6876 > select add #11/B:65 6877 6878 231 atoms, 209 bonds, 29 residues, 1 model selected 6879 6880 > select add #11/B:33 6881 6882 237 atoms, 214 bonds, 30 residues, 1 model selected 6883 6884 > select add #11/B:32 6885 6886 246 atoms, 222 bonds, 31 residues, 1 model selected 6887 6888 > select add #11/B:31 6889 6890 252 atoms, 227 bonds, 32 residues, 1 model selected 6891 6892 > select add #11/B:30 6893 6894 263 atoms, 238 bonds, 33 residues, 1 model selected 6895 6896 > select add #11/B:34 6897 6898 269 atoms, 243 bonds, 34 residues, 1 model selected 6899 6900 > select add #11/B:35 6901 6902 283 atoms, 258 bonds, 35 residues, 1 model selected 6903 6904 > select add #11/B:36 6905 6906 294 atoms, 269 bonds, 36 residues, 1 model selected 6907 6908 > ui tool show "Render/Select by Attribute" 6909 6910 > color byattribute a:bfactor #!11 target absc palette 6911 > 0,#0c7d82:4.5,white:9,#a02760 6912 6913 11521 atoms, 1467 residues, atom bfactor range 0 to 9 6914 6915 > undo 6916 6917 > color byattribute a:bfactor #!11 & sel target absc palette 6918 > 0,#0c7d82:4.5,white:9,#a02760 6919 6920 294 atoms, 36 residues, atom bfactor range 4 to 9 6921 6922 > select add #11/A:690 6923 6924 301 atoms, 275 bonds, 37 residues, 1 model selected 6925 6926 > color byattribute a:bfactor #!11 & sel target absc palette 6927 > 0,#0c7d82:4.5,white:9,#a02760 6928 6929 301 atoms, 37 residues, atom bfactor range 4 to 9 6930 6931 > select clear 6932 6933 Drag select of 28 atoms, 242 residues, 58 pseudobonds, 20 bonds 6934 Drag select of 21 residues 6935 6936 > select subtract #11/A:240 6937 6938 1920 atoms, 20 bonds, 58 pseudobonds, 237 residues, 3 models selected 6939 6940 > select subtract #11/A:770 6941 6942 1914 atoms, 20 bonds, 58 pseudobonds, 236 residues, 3 models selected 6943 6944 > select subtract #11/A:769 6945 6946 1907 atoms, 20 bonds, 58 pseudobonds, 235 residues, 3 models selected 6947 6948 > select subtract #11/A:243 6949 6950 1898 atoms, 20 bonds, 58 pseudobonds, 234 residues, 3 models selected 6951 6952 > select subtract #11/A:774 6953 6954 1891 atoms, 20 bonds, 58 pseudobonds, 233 residues, 3 models selected 6955 6956 > select subtract #11/A:241 6957 6958 1882 atoms, 20 bonds, 58 pseudobonds, 232 residues, 3 models selected 6959 6960 > select subtract #11/A:768 6961 6962 1876 atoms, 20 bonds, 58 pseudobonds, 231 residues, 3 models selected 6963 6964 > select subtract #11/A:775 6965 6966 1870 atoms, 20 bonds, 58 pseudobonds, 230 residues, 3 models selected 6967 6968 > select subtract #11/A:244 6969 6970 1863 atoms, 20 bonds, 58 pseudobonds, 229 residues, 3 models selected 6971 Drag select of 6 residues 6972 6973 > select subtract #11/B:66 6974 6975 1822 atoms, 20 bonds, 58 pseudobonds, 223 residues, 3 models selected 6976 6977 > select subtract #11/B:67 6978 6979 1819 atoms, 18 bonds, 57 pseudobonds, 222 residues, 3 models selected 6980 6981 > select subtract #11/B:68 6982 6983 1810 atoms, 18 bonds, 57 pseudobonds, 221 residues, 3 models selected 6984 6985 > select subtract #11/B:69 6986 6987 1802 atoms, 18 bonds, 57 pseudobonds, 220 residues, 3 models selected 6988 6989 > select subtract #11/B:47 6990 6991 1795 atoms, 11 bonds, 56 pseudobonds, 219 residues, 3 models selected 6992 6993 > select subtract #11/B:70 6994 6995 1788 atoms, 11 bonds, 56 pseudobonds, 218 residues, 3 models selected 6996 6997 > select subtract #11/B:48 6998 6999 1776 atoms, 11 bonds, 56 pseudobonds, 217 residues, 3 models selected 7000 7001 > select subtract #11/B:63 7002 7003 1765 atoms, 11 bonds, 56 pseudobonds, 216 residues, 3 models selected 7004 7005 > select subtract #11/B:64 7006 7007 1762 atoms, 9 bonds, 55 pseudobonds, 215 residues, 3 models selected 7008 7009 > select subtract #11/B:65 7010 7011 1755 atoms, 9 bonds, 55 pseudobonds, 214 residues, 3 models selected 7012 7013 > select subtract #11/B:29 7014 7015 1746 atoms, 9 bonds, 55 pseudobonds, 213 residues, 3 models selected 7016 7017 > select subtract #11/B:30 7018 7019 1735 atoms, 9 bonds, 55 pseudobonds, 212 residues, 3 models selected 7020 7021 > select subtract #11/B:31 7022 7023 1732 atoms, 7 bonds, 54 pseudobonds, 211 residues, 3 models selected 7024 7025 > select subtract #11/B:37 7026 7027 1723 atoms, 7 bonds, 54 pseudobonds, 210 residues, 3 models selected 7028 7029 > select subtract #11/B:60 7030 7031 1716 atoms, 7 bonds, 54 pseudobonds, 209 residues, 3 models selected 7032 7033 > select subtract #11/B:57 7034 7035 1708 atoms, 7 bonds, 54 pseudobonds, 208 residues, 3 models selected 7036 7037 > select subtract #11/B:53 7038 7039 1707 atoms, 6 bonds, 50 pseudobonds, 207 residues, 3 models selected 7040 7041 > select subtract #11/B:61 7042 7043 1701 atoms, 6 bonds, 50 pseudobonds, 206 residues, 3 models selected 7044 7045 > select subtract #11/B:101@ZN 7046 7047 1700 atoms, 6 bonds, 49 pseudobonds, 205 residues, 3 models selected 7048 7049 > select subtract #11/B:102@ZN 7050 7051 1699 atoms, 6 bonds, 48 pseudobonds, 204 residues, 2 models selected 7052 7053 > select subtract #11/B:33 7054 7055 1696 atoms, 4 bonds, 17 pseudobonds, 203 residues, 2 models selected 7056 7057 > select subtract #11/B:32 7058 7059 1687 atoms, 4 bonds, 17 pseudobonds, 202 residues, 2 models selected 7060 7061 > select subtract #11/B:35 7062 7063 1673 atoms, 4 bonds, 17 pseudobonds, 201 residues, 2 models selected 7064 7065 > select subtract #11/B:36 7066 7067 1662 atoms, 4 bonds, 17 pseudobonds, 200 residues, 2 models selected 7068 7069 > select subtract #11/B:34 7070 7071 1659 atoms, 2 bonds, 1 pseudobond, 199 residues, 2 models selected 7072 7073 > show sel surfaces 7074 7075 > transparency (#!11 & sel) 60 7076 7077 > select clear 7078 7079 > select #11/A:607@OD1 7080 7081 1 atom, 1 residue, 1 model selected 7082 7083 > hide sel surfaces 7084 7085 > show sel surfaces 7086 7087 > select clear 7088 7089 > hide #!11 surfaces 7090 7091 > select #11/A:607 7092 7093 8 atoms, 7 bonds, 1 residue, 1 model selected 7094 7095 > select #11/A:650 7096 7097 7 atoms, 6 bonds, 1 residue, 1 model selected 7098 7099 > select add #11/A:607 7100 7101 15 atoms, 13 bonds, 2 residues, 2 models selected 7102 7103 > select add #11/A:693 7104 7105 23 atoms, 20 bonds, 3 residues, 2 models selected 7106 7107 > select add #11/A:690 7108 7109 30 atoms, 26 bonds, 4 residues, 2 models selected 7110 7111 > select add #11/A:263 7112 7113 39 atoms, 34 bonds, 5 residues, 2 models selected 7114 7115 > select add #11/A:691 7116 7117 48 atoms, 42 bonds, 6 residues, 2 models selected 7118 7119 > select add #11/A:692 7120 7121 54 atoms, 47 bonds, 7 residues, 2 models selected 7122 7123 > select add #11/A:695 7124 7125 61 atoms, 53 bonds, 8 residues, 2 models selected 7126 7127 > select add #11/A:694 7128 7129 69 atoms, 60 bonds, 9 residues, 2 models selected 7130 7131 > select add #11/A:698 7132 7133 80 atoms, 71 bonds, 10 residues, 2 models selected 7134 Drag select of 3 pseudobonds 7135 7136 > select add #11/A:607 7137 7138 8 atoms, 7 bonds, 3 pseudobonds, 1 residue, 2 models selected 7139 7140 > select add #11/A:693 7141 7142 16 atoms, 14 bonds, 3 pseudobonds, 2 residues, 3 models selected 7143 7144 > select add #11/A:694 7145 7146 24 atoms, 21 bonds, 3 pseudobonds, 3 residues, 3 models selected 7147 7148 > select add #11/A:690 7149 7150 31 atoms, 27 bonds, 3 pseudobonds, 4 residues, 3 models selected 7151 7152 > select add #11/A:691 7153 7154 40 atoms, 35 bonds, 3 pseudobonds, 5 residues, 3 models selected 7155 7156 > select add #11/A:692 7157 7158 46 atoms, 40 bonds, 3 pseudobonds, 6 residues, 3 models selected 7159 7160 > select add #11/A:698 7161 7162 57 atoms, 51 bonds, 3 pseudobonds, 7 residues, 3 models selected 7163 7164 > select add #11/A:695 7165 7166 64 atoms, 57 bonds, 3 pseudobonds, 8 residues, 3 models selected 7167 7168 > select add #11/A:1348 7169 7170 74 atoms, 67 bonds, 3 pseudobonds, 9 residues, 3 models selected 7171 7172 > select add #11/A:263 7173 7174 83 atoms, 75 bonds, 3 pseudobonds, 10 residues, 3 models selected 7175 7176 > select add #11/A:650 7177 7178 90 atoms, 81 bonds, 3 pseudobonds, 11 residues, 3 models selected 7179 7180 > select add #11/A:1380 7181 7182 101 atoms, 91 bonds, 3 pseudobonds, 12 residues, 3 models selected 7183 7184 > select add #11/A:1381 7185 7186 112 atoms, 102 bonds, 3 pseudobonds, 13 residues, 3 models selected 7187 7188 > select add #11/A:1183 7189 7190 118 atoms, 107 bonds, 3 pseudobonds, 14 residues, 3 models selected 7191 7192 > select add #11/B:28 7193 7194 125 atoms, 114 bonds, 3 pseudobonds, 15 residues, 3 models selected 7195 7196 > select add #11/A:1185 7197 7198 130 atoms, 118 bonds, 3 pseudobonds, 16 residues, 3 models selected 7199 7200 > select add #11/A:1391 7201 7202 137 atoms, 124 bonds, 3 pseudobonds, 17 residues, 3 models selected 7203 7204 > select add #11/A:1392 7205 7206 151 atoms, 139 bonds, 3 pseudobonds, 18 residues, 3 models selected 7207 7208 > show sel surfaces 7209 7210 > ui tool show "Render/Select by Attribute" 7211 7212 > color byattribute a:bfactor #!11 & sel target absc palette 7213 > 0,#0c7d82:4.5,white:9,#a02760 7214 7215 151 atoms, 18 residues, 2 surfaces, atom bfactor range 6 to 9 7216 7217 > select add #11/B:29 7218 7219 160 atoms, 147 bonds, 3 pseudobonds, 19 residues, 4 models selected 7220 7221 > hide sel surfaces 7222 7223 > select subtract #11/B:29 7224 7225 151 atoms, 139 bonds, 3 pseudobonds, 18 residues, 4 models selected 7226 7227 > select subtract #11/B:28 7228 7229 144 atoms, 132 bonds, 3 pseudobonds, 17 residues, 4 models selected 7230 7231 > show sel surfaces 7232 7233 > color byattribute a:bfactor #!11 & sel target absc palette 7234 > 0,#0c7d82:4.5,white:9,#a02760 7235 7236 144 atoms, 17 residues, 1 surfaces, atom bfactor range 6 to 9 7237 7238 > color byattribute a:bfactor #!11 & sel target absc palette 7239 > 0,#0c7d82:4.5,white:9,#a02760 7240 7241 144 atoms, 17 residues, 1 surfaces, atom bfactor range 6 to 9 7242 7243 > color byattribute a:bfactor #!11 & sel target absc palette 7244 > 0,#0c7d82:4.5,white:9,#a02760 7245 7246 144 atoms, 17 residues, 1 surfaces, atom bfactor range 6 to 9 7247 7248 > hide sel surfaces 7249 7250 > select clear 7251 7252 > show #!11 surfaces 7253 7254 > hide #!11 surfaces 7255 7256 > select #11/A 7257 7258 11138 atoms, 11335 bonds, 22 pseudobonds, 1416 residues, 3 models selected 7259 7260 > show sel surfaces 7261 7262 > transparency (#!11 & sel) 60 7263 7264 > select clear 7265 7266 > set bgColor black 7267 7268 > set bgColor transparent 7269 7270 > select add #11/B:25 7271 7272 10 atoms, 10 bonds, 1 residue, 1 model selected 7273 7274 > select add #11/B:26 7275 7276 18 atoms, 17 bonds, 2 residues, 2 models selected 7277 7278 > select add #11/B:27 7279 7280 22 atoms, 20 bonds, 3 residues, 2 models selected 7281 7282 > select add #11/B:29 7283 7284 31 atoms, 28 bonds, 4 residues, 2 models selected 7285 7286 > select add #11/A:688@O 7287 7288 32 atoms, 28 bonds, 5 residues, 2 models selected 7289 7290 > select subtract #11/A:688@O 7291 7292 31 atoms, 28 bonds, 4 residues, 3 models selected 7293 7294 > select add #11/B:37 7295 7296 40 atoms, 36 bonds, 5 residues, 2 models selected 7297 7298 > select add #11/B:39 7299 7300 49 atoms, 44 bonds, 6 residues, 2 models selected 7301 7302 > select add #11/B:40 7303 7304 53 atoms, 47 bonds, 7 residues, 2 models selected 7305 7306 > select add #11/B:41 7307 7308 61 atoms, 54 bonds, 8 residues, 2 models selected 7309 7310 > select add #11/B:42 7311 7312 68 atoms, 60 bonds, 9 residues, 2 models selected 7313 7314 > select add #11/B:43 7315 7316 77 atoms, 68 bonds, 10 residues, 2 models selected 7317 7318 > select add #11/B:48 7319 7320 89 atoms, 80 bonds, 11 residues, 2 models selected 7321 7322 > select add #11/B:49 7323 7324 97 atoms, 87 bonds, 12 residues, 2 models selected 7325 7326 > select add #11/B:50 7327 7328 103 atoms, 92 bonds, 13 residues, 2 models selected 7329 7330 > select add #11/B:47 7331 7332 113 atoms, 102 bonds, 14 residues, 2 models selected 7333 7334 > select add #11/B:46 7335 7336 121 atoms, 109 bonds, 15 residues, 2 models selected 7337 7338 > select add #11/B:45 7339 7340 129 atoms, 116 bonds, 16 residues, 2 models selected 7341 7342 > select add #11/B:44 7343 7344 135 atoms, 121 bonds, 17 residues, 2 models selected 7345 7346 > select add #11/B:51 7347 7348 143 atoms, 128 bonds, 18 residues, 2 models selected 7349 7350 > select add #11/B:54 7351 7352 151 atoms, 135 bonds, 19 residues, 2 models selected 7353 7354 > select add #11/B:55 7355 7356 158 atoms, 141 bonds, 20 residues, 2 models selected 7357 7358 > select add #11/B:58 7359 7360 166 atoms, 148 bonds, 21 residues, 2 models selected 7361 7362 > select add #11/B:64 7363 7364 172 atoms, 153 bonds, 22 residues, 2 models selected 7365 7366 > select add #11/B:63 7367 7368 183 atoms, 163 bonds, 23 residues, 2 models selected 7369 7370 > select add #11/B:62 7371 7372 189 atoms, 168 bonds, 24 residues, 2 models selected 7373 7374 > select add #11/B:61 7375 7376 195 atoms, 173 bonds, 25 residues, 2 models selected 7377 7378 > select add #11/B:66 7379 7380 203 atoms, 180 bonds, 26 residues, 2 models selected 7381 7382 > select add #11/B:67 7383 7384 209 atoms, 185 bonds, 27 residues, 2 models selected 7385 7386 > select add #11/B:68 7387 7388 218 atoms, 193 bonds, 28 residues, 2 models selected 7389 7390 > select add #11/B:69 7391 7392 226 atoms, 200 bonds, 29 residues, 2 models selected 7393 7394 > select add #11/B:70 7395 7396 233 atoms, 207 bonds, 30 residues, 2 models selected 7397 7398 > select add #11/B:71 7399 7400 241 atoms, 214 bonds, 31 residues, 2 models selected 7401 7402 > select add #11/B:72 7403 7404 248 atoms, 221 bonds, 32 residues, 2 models selected 7405 7406 > select add #11/B:73 7407 7408 255 atoms, 227 bonds, 33 residues, 2 models selected 7409 7410 > color (#!11 & sel) #a9a9a9ff 7411 7412 > color (#!11 & sel) #c0c0c0ff 7413 7414 > set bgColor white 7415 7416 > set bgColor #ffffff00 7417 7418 > color (#!11 & sel) #00fdffff 7419 7420 > color (#!11 & sel) #73fcd6ff 7421 7422 > color (#!11 & sel) #fffc79ff 7423 7424 > color (#!11 & sel) #ff7e79ff 7425 7426 > color (#!11 & sel) #424242ff 7427 7428 > color (#!11 & sel) #797979ff 7429 7430 > color (#!11 & sel) #d6d6d6ff 7431 7432 > color (#!11 & sel) #c0c0c0ff 7433 7434 > select clear 7435 7436 > select #11 /A :263 #11 /A :605 #11 /A :607 #11 /A :608 #11 /A :650 #11 /A 7437 > :651 #11 /A :690 #11 /A :691 #11 /A :692 #11 /A :693 #11 /A :694 #11 /A :695 7438 > #11 /A :698 #11 /A :1183 #11 /A :1184 #11 /A :1185 #11 /A :1380 #11 /A :1381 7439 > #11 /A :1391 #11 /A :1392 #11 /B :28 #11 /B :30 #11 /B :31 #11 /B :32 #11 /B 7440 > :33 #11 /B :34 #11 /B :35 #11 /B :36 #11 /B :52 #11 /B :53 #11 /B :56 #11 /B 7441 > :57 #11 /B :59 #11 /B :60 #11 /B :65 7442 7443 283 atoms, 278 bonds, 292 pseudobonds, 35 residues, 2 models selected 7444 7445 > select #11 /A :263 #11 /A :605 #11 /A :607 #11 /A :608 #11 /A :650 #11 /A 7446 > :651 #11 /A :690 #11 /A :691 #11 /A :692 #11 /A :693 #11 /A :694 #11 /A :695 7447 > #11 /A :698 #11 /A :1183 #11 /A :1184 #11 /A :1185 #11 /A :1380 #11 /A :1381 7448 > #11 /A :1391 #11 /A :1392 #11 /B :28 #11 /B :30 #11 /B :31 #11 /B :32 #11 /B 7449 > :33 #11 /B :34 #11 /B :35 #11 /B :36 #11 /B :52 #11 /B :53 #11 /B :56 #11 /B 7450 > :57 #11 /B :59 #11 /B :60 #11 /B :65 7451 7452 283 atoms, 278 bonds, 292 pseudobonds, 35 residues, 2 models selected 7453 7454 > show sel atoms 7455 7456 Cell requested for row 0 is out of bounds for table with 0 rows! Resizing 7457 table model. 7458 7459 > select #11 /A :1348 #11 /B :38 7460 7461 18 atoms, 17 bonds, 1 pseudobond, 2 residues, 2 models selected 7462 7463 Cell requested for row 0 is out of bounds for table with 0 rows! Resizing 7464 table model. 7465 7466 > show sel atoms 7467 7468 Cell requested for row 0 is out of bounds for table with 0 rows! Resizing 7469 table model. 7470 7471 > select #11 /A :263 #11 /A :605 #11 /A :607 #11 /A :608 #11 /A :650 #11 /A 7472 > :651 #11 /A :690 #11 /A :691 #11 /A :692 #11 /A :693 #11 /A :694 #11 /A :695 7473 > #11 /A :698 #11 /A :1183 #11 /A :1184 #11 /A :1185 #11 /A :1380 #11 /A :1381 7474 > #11 /A :1391 #11 /A :1392 #11 /B :28 #11 /B :30 #11 /B :31 #11 /B :32 #11 /B 7475 > :33 #11 /B :34 #11 /B :35 #11 /B :36 #11 /B :52 #11 /B :53 #11 /B :56 #11 /B 7476 > :57 #11 /B :59 #11 /B :60 #11 /B :65 7477 7478 283 atoms, 278 bonds, 292 pseudobonds, 35 residues, 2 models selected 7479 7480 Cell requested for row 0 is out of bounds for table with 0 rows! Resizing 7481 table model. 7482 7483 > select clear 7484 7485 > hide #!11 surfaces 7486 7487 > select #11 /A :263 #11 /A :605 #11 /A :607 #11 /A :608 #11 /A :650 #11 /A 7488 > :651 #11 /A :690 #11 /A :691 #11 /A :692 #11 /A :693 #11 /A :694 #11 /A :695 7489 > #11 /A :698 #11 /A :1183 #11 /A :1184 #11 /A :1185 #11 /A :1380 #11 /A :1381 7490 > #11 /A :1391 #11 /A :1392 #11 /B :28 #11 /B :30 #11 /B :31 #11 /B :32 #11 /B 7491 > :33 #11 /B :34 #11 /B :35 #11 /B :36 #11 /B :52 #11 /B :53 #11 /B :56 #11 /B 7492 > :57 #11 /B :59 #11 /B :60 #11 /B :65 7493 7494 283 atoms, 278 bonds, 292 pseudobonds, 35 residues, 2 models selected 7495 7496 > select #11/A:1348 7497 7498 10 atoms, 10 bonds, 1 residue, 1 model selected 7499 7500 > select #11 /A :263 #11 /A :605 #11 /A :607 #11 /A :608 #11 /A :650 #11 /A 7501 > :651 #11 /A :690 #11 /A :691 #11 /A :692 #11 /A :693 #11 /A :694 #11 /A :695 7502 > #11 /A :698 #11 /A :1183 #11 /A :1184 #11 /A :1185 #11 /A :1380 #11 /A :1381 7503 > #11 /A :1391 #11 /A :1392 #11 /B :28 #11 /B :30 #11 /B :31 #11 /B :32 #11 /B 7504 > :33 #11 /B :34 #11 /B :35 #11 /B :36 #11 /B :52 #11 /B :53 #11 /B :56 #11 /B 7505 > :57 #11 /B :59 #11 /B :60 #11 /B :65 7506 7507 283 atoms, 278 bonds, 292 pseudobonds, 35 residues, 2 models selected 7508 7509 > select add #11/A:1348 7510 7511 293 atoms, 288 bonds, 292 pseudobonds, 36 residues, 4 models selected 7512 7513 > select add #11/B:38 7514 7515 301 atoms, 295 bonds, 292 pseudobonds, 37 residues, 4 models selected 7516 7517 > ui tool show Contacts 7518 7519 > contacts sel intraRes true ignoreHiddenModels true select true color #fffb00 7520 > reveal true log true 7521 7522 7523 Allowed overlap: -0.4 7524 H-bond overlap reduction: 0.4 7525 Ignore contacts between atoms separated by 4 bonds or less 7526 Detect intra-residue contacts: True 7527 Detect intra-molecule contacts: True 7528 7529 231 contacts 7530 atom1 atom2 overlap distance 7531 my_msa_consurf_7ckl.pdb #11/B PHE 36 CZ my_msa_consurf_7ckl.pdb #11/A LYS 263 NZ 0.802 2.598 7532 my_msa_consurf_7ckl.pdb #11/B PHE 36 CE2 my_msa_consurf_7ckl.pdb #11/A LYS 263 NZ 0.709 2.691 7533 my_msa_consurf_7ckl.pdb #11/B TRP 35 NE1 my_msa_consurf_7ckl.pdb #11/A TRP 1392 CZ3 0.691 2.709 7534 my_msa_consurf_7ckl.pdb #11/A TRP 1392 CZ3 my_msa_consurf_7ckl.pdb #11/B TRP 35 CD1 0.394 3.126 7535 my_msa_consurf_7ckl.pdb #11/A SER 692 O my_msa_consurf_7ckl.pdb #11/A ARG 697 NH1 0.373 2.287 7536 my_msa_consurf_7ckl.pdb #11/A SER 651 CB my_msa_consurf_7ckl.pdb #11/A VAL 1377 CG1 0.352 3.408 7537 my_msa_consurf_7ckl.pdb #11/B CYS 53 SG my_msa_consurf_7ckl.pdb #11/B SER 33 OG 0.341 2.489 7538 my_msa_consurf_7ckl.pdb #11/B LYS 32 CD my_msa_consurf_7ckl.pdb #11/B HIS 47 ND1 0.304 3.216 7539 my_msa_consurf_7ckl.pdb #11/B CYS 53 CB my_msa_consurf_7ckl.pdb #11/B CYS 50 SG 0.233 3.417 7540 my_msa_consurf_7ckl.pdb #11/B LYS 32 CG my_msa_consurf_7ckl.pdb #11/B HIS 47 ND1 0.233 3.287 7541 my_msa_consurf_7ckl.pdb #11/B PHE 30 CZ my_msa_consurf_7ckl.pdb #11/A ARG 1380 NH2 0.224 3.176 7542 my_msa_consurf_7ckl.pdb #11/A MET 1184 CB my_msa_consurf_7ckl.pdb #11/A HIS 1186 CD2 0.216 3.424 7543 my_msa_consurf_7ckl.pdb #11/A VAL 690 CG2 my_msa_consurf_7ckl.pdb #11/A ARG 697 NH2 0.206 3.314 7544 my_msa_consurf_7ckl.pdb #11/A TRP 1392 CZ2 my_msa_consurf_7ckl.pdb #11/B LYS 32 CG 0.192 3.448 7545 my_msa_consurf_7ckl.pdb #11/A SER 651 O my_msa_consurf_7ckl.pdb #11/A VAL 261 CG2 0.186 3.114 7546 my_msa_consurf_7ckl.pdb #11/B LYS 32 CE my_msa_consurf_7ckl.pdb #11/B HIS 47 CB 0.174 3.586 7547 my_msa_consurf_7ckl.pdb #11/A SER 692 O my_msa_consurf_7ckl.pdb #11/A MET 693 CG 0.151 3.149 7548 my_msa_consurf_7ckl.pdb #11/B ASN 52 O my_msa_consurf_7ckl.pdb #11/B THR 55 CG2 0.144 3.156 7549 my_msa_consurf_7ckl.pdb #11/B SER 33 CB my_msa_consurf_7ckl.pdb #11/B CYS 53 SG 0.144 3.506 7550 my_msa_consurf_7ckl.pdb #11/A THR 695 CG2 my_msa_consurf_7ckl.pdb #11/B TRP 35 CZ2 0.140 3.500 7551 my_msa_consurf_7ckl.pdb #11/A VAL 650 CG2 my_msa_consurf_7ckl.pdb #11/B TRP 35 CE3 0.134 3.506 7552 my_msa_consurf_7ckl.pdb #11/A PHE 1381 CE1 my_msa_consurf_7ckl.pdb #11/B TRP 35 O 0.134 3.046 7553 my_msa_consurf_7ckl.pdb #11/A MET 693 SD my_msa_consurf_7ckl.pdb #11/A ASN 696 ND2 0.125 2.885 7554 my_msa_consurf_7ckl.pdb #11/B CYS 53 CB my_msa_consurf_7ckl.pdb #11/B SER 33 OG 0.123 3.217 7555 my_msa_consurf_7ckl.pdb #11/A LYS 263 NZ my_msa_consurf_7ckl.pdb #11/B PHE 36 CE1 0.105 3.295 7556 my_msa_consurf_7ckl.pdb #11/A LYS 263 CB my_msa_consurf_7ckl.pdb #11/A TYR 649 OH 0.101 3.239 7557 my_msa_consurf_7ckl.pdb #11/B PHE 36 CD2 my_msa_consurf_7ckl.pdb #11/B CYS 34 O 0.101 3.079 7558 my_msa_consurf_7ckl.pdb #11/A ASP 605 OD1 my_msa_consurf_7ckl.pdb #11/B VAL 60 CG1 0.099 3.201 7559 my_msa_consurf_7ckl.pdb #11/A VAL 690 CG1 my_msa_consurf_7ckl.pdb #11/A SER 687 OG 0.095 3.245 7560 my_msa_consurf_7ckl.pdb #11/A VAL 1391 CG1 my_msa_consurf_7ckl.pdb #11/A PHE 698 CE2 0.088 3.552 7561 my_msa_consurf_7ckl.pdb #11/A MET 693 CB my_msa_consurf_7ckl.pdb #11/A ASN 696 ND2 0.077 3.443 7562 my_msa_consurf_7ckl.pdb #11/A VAL 650 CG2 my_msa_consurf_7ckl.pdb #11/B TRP 35 CZ3 0.075 3.565 7563 my_msa_consurf_7ckl.pdb #11/B LYS 32 CB my_msa_consurf_7ckl.pdb #11/B HIS 47 CE1 0.074 3.566 7564 my_msa_consurf_7ckl.pdb #11/B VAL 60 CG2 my_msa_consurf_7ckl.pdb #11/A ASN 607 ND2 0.071 3.449 7565 my_msa_consurf_7ckl.pdb #11/B PHE 30 CD2 my_msa_consurf_7ckl.pdb #11/B GLN 29 C 0.063 3.307 7566 my_msa_consurf_7ckl.pdb #11/B ASN 38 N my_msa_consurf_7ckl.pdb #11/B GLU 37 CD 0.063 3.457 7567 my_msa_consurf_7ckl.pdb #11/B ASN 52 O my_msa_consurf_7ckl.pdb #11/B LEU 56 CB 0.062 3.238 7568 my_msa_consurf_7ckl.pdb #11/B LYS 32 CD my_msa_consurf_7ckl.pdb #11/B HIS 47 CE1 0.061 3.579 7569 my_msa_consurf_7ckl.pdb #11/B TRP 35 NE1 my_msa_consurf_7ckl.pdb #11/A TRP 1392 CE3 0.054 3.346 7570 my_msa_consurf_7ckl.pdb #11/A LYS 263 CD my_msa_consurf_7ckl.pdb #11/A TYR 649 OH 0.053 3.287 7571 my_msa_consurf_7ckl.pdb #11/A VAL 690 CG2 my_msa_consurf_7ckl.pdb #11/A SER 687 O 0.052 3.248 7572 my_msa_consurf_7ckl.pdb #11/A ASP 605 O my_msa_consurf_7ckl.pdb #11/A MET 693 SD 0.048 3.142 7573 my_msa_consurf_7ckl.pdb #11/B TRP 35 O my_msa_consurf_7ckl.pdb #11/A PHE 1381 CZ 0.034 3.146 7574 my_msa_consurf_7ckl.pdb #11/B ASN 52 CA my_msa_consurf_7ckl.pdb #11/B THR 55 CG2 0.028 3.732 7575 my_msa_consurf_7ckl.pdb #11/B CYS 31 SG my_msa_consurf_7ckl.pdb #11/B SER 33 OG 0.027 2.803 7576 my_msa_consurf_7ckl.pdb #11/A PHE 1381 O my_msa_consurf_7ckl.pdb #11/A VAL 1391 O 0.023 2.817 7577 my_msa_consurf_7ckl.pdb #11/B TRP 35 CE2 my_msa_consurf_7ckl.pdb #11/A TRP 1392 CZ3 0.022 3.348 7578 my_msa_consurf_7ckl.pdb #11/B LYS 32 CG my_msa_consurf_7ckl.pdb #11/B HIS 47 CE1 0.016 3.624 7579 my_msa_consurf_7ckl.pdb #11/B CYS 31 SG my_msa_consurf_7ckl.pdb #11/B CYS 53 CB 0.012 3.638 7580 my_msa_consurf_7ckl.pdb #11/A VAL 1391 CG1 my_msa_consurf_7ckl.pdb #11/A VAL 1396 CG1 0.010 3.750 7581 my_msa_consurf_7ckl.pdb #11/A ASP 605 O my_msa_consurf_7ckl.pdb #11/A ASP 605 OD1 0.007 2.833 7582 my_msa_consurf_7ckl.pdb #11/A MET 694 O my_msa_consurf_7ckl.pdb #11/A PHE 698 CB 0.001 3.299 7583 my_msa_consurf_7ckl.pdb #11/A SER 692 OG my_msa_consurf_7ckl.pdb #11/B LEU 57 CD2 -0.004 3.344 7584 my_msa_consurf_7ckl.pdb #11/A ASN 607 O my_msa_consurf_7ckl.pdb #11/A GLU 608 OE1 -0.009 2.849 7585 my_msa_consurf_7ckl.pdb #11/A MET 694 SD my_msa_consurf_7ckl.pdb #11/A ARG 697 NH2 -0.010 3.020 7586 my_msa_consurf_7ckl.pdb #11/A SER 1183 CB my_msa_consurf_7ckl.pdb #11/A LYS 1179 O -0.014 3.314 7587 my_msa_consurf_7ckl.pdb #11/A ASN 607 CB my_msa_consurf_7ckl.pdb #11/B VAL 60 CG2 -0.015 3.775 7588 my_msa_consurf_7ckl.pdb #11/A ASN 607 ND2 my_msa_consurf_7ckl.pdb #11/B LEU 56 O -0.018 2.678 7589 my_msa_consurf_7ckl.pdb #11/B CYS 31 SG my_msa_consurf_7ckl.pdb #11/B ZN 101 ZN -0.020 2.390 7590 my_msa_consurf_7ckl.pdb #11/B CYS 53 SG my_msa_consurf_7ckl.pdb #11/B ZN 101 ZN -0.022 2.392 7591 my_msa_consurf_7ckl.pdb #11/B CYS 34 SG my_msa_consurf_7ckl.pdb #11/B ZN 101 ZN -0.029 2.399 7592 my_msa_consurf_7ckl.pdb #11/A PHE 698 O my_msa_consurf_7ckl.pdb #11/A LEU 702 CB -0.034 3.334 7593 my_msa_consurf_7ckl.pdb #11/A MET 693 CG my_msa_consurf_7ckl.pdb #11/A ASN 696 ND2 -0.036 3.556 7594 my_msa_consurf_7ckl.pdb #11/A VAL 690 CG2 my_msa_consurf_7ckl.pdb #11/A ARG 697 CZ -0.038 3.528 7595 my_msa_consurf_7ckl.pdb #11/A LYS 263 NZ my_msa_consurf_7ckl.pdb #11/B PHE 36 CD2 -0.039 3.439 7596 my_msa_consurf_7ckl.pdb #11/B VAL 60 CG2 my_msa_consurf_7ckl.pdb #11/A ASN 607 CG -0.040 3.530 7597 my_msa_consurf_7ckl.pdb #11/B SER 33 O my_msa_consurf_7ckl.pdb #11/A MET 693 CA -0.050 3.350 7598 my_msa_consurf_7ckl.pdb #11/B PHE 30 CD2 my_msa_consurf_7ckl.pdb #11/B GLN 29 O -0.056 3.236 7599 my_msa_consurf_7ckl.pdb #11/A THR 695 CG2 my_msa_consurf_7ckl.pdb #11/B TRP 35 NE1 -0.059 3.579 7600 my_msa_consurf_7ckl.pdb #11/B LEU 56 CD2 my_msa_consurf_7ckl.pdb #11/A SER 692 CB -0.060 3.820 7601 my_msa_consurf_7ckl.pdb #11/B LEU 57 CD2 my_msa_consurf_7ckl.pdb #11/B CYS 53 O -0.061 3.361 7602 my_msa_consurf_7ckl.pdb #11/A SER 692 C my_msa_consurf_7ckl.pdb #11/A ARG 697 NH1 -0.066 3.316 7603 my_msa_consurf_7ckl.pdb #11/A ARG 1380 NH2 my_msa_consurf_7ckl.pdb #11/B PHE 30 CE2 -0.066 3.466 7604 my_msa_consurf_7ckl.pdb #11/B LYS 32 CE my_msa_consurf_7ckl.pdb #11/B HIS 47 ND1 -0.076 3.596 7605 my_msa_consurf_7ckl.pdb #11/B PHE 36 CD2 my_msa_consurf_7ckl.pdb #11/B TRP 35 C -0.078 3.448 7606 my_msa_consurf_7ckl.pdb #11/A ASP 605 O my_msa_consurf_7ckl.pdb #11/A MET 693 CE -0.079 3.379 7607 my_msa_consurf_7ckl.pdb #11/A VAL 650 CG1 my_msa_consurf_7ckl.pdb #11/A VAL 1382 CG1 -0.079 3.839 7608 my_msa_consurf_7ckl.pdb #11/B CYS 53 O my_msa_consurf_7ckl.pdb #11/B LEU 57 CB -0.080 3.380 7609 my_msa_consurf_7ckl.pdb #11/A ASP 605 CG my_msa_consurf_7ckl.pdb #11/B VAL 60 CG1 -0.081 3.841 7610 my_msa_consurf_7ckl.pdb #11/A SER 651 C my_msa_consurf_7ckl.pdb #11/A ASP 652 OD1 -0.083 3.113 7611 my_msa_consurf_7ckl.pdb #11/A MET 693 N my_msa_consurf_7ckl.pdb #11/B SER 33 CB -0.083 3.603 7612 my_msa_consurf_7ckl.pdb #11/A ALA 1185 CB my_msa_consurf_7ckl.pdb #11/B PRO 28 CG -0.083 3.843 7613 my_msa_consurf_7ckl.pdb #11/A ASN 607 O my_msa_consurf_7ckl.pdb #11/A ASN 607 OD1 -0.089 2.929 7614 my_msa_consurf_7ckl.pdb #11/B PHE 30 CG my_msa_consurf_7ckl.pdb #11/B GLN 29 O -0.089 3.119 7615 my_msa_consurf_7ckl.pdb #11/B SER 33 O my_msa_consurf_7ckl.pdb #11/A MET 694 N -0.089 2.749 7616 my_msa_consurf_7ckl.pdb #11/A LYS 263 O my_msa_consurf_7ckl.pdb #11/A LEU 267 CG -0.094 3.394 7617 my_msa_consurf_7ckl.pdb #11/B PHE 30 CA my_msa_consurf_7ckl.pdb #11/B LEU 41 CD1 -0.096 3.856 7618 my_msa_consurf_7ckl.pdb #11/B LYS 32 NZ my_msa_consurf_7ckl.pdb #11/B HIS 47 CB -0.096 3.616 7619 my_msa_consurf_7ckl.pdb #11/A ARG 1380 CA my_msa_consurf_7ckl.pdb #11/A HIS 1186 O -0.102 3.402 7620 my_msa_consurf_7ckl.pdb #11/A MET 1184 CE my_msa_consurf_7ckl.pdb #11/A HIS 1186 NE2 -0.108 3.628 7621 my_msa_consurf_7ckl.pdb #11/A LYS 263 CE my_msa_consurf_7ckl.pdb #11/A TYR 649 CE2 -0.109 3.749 7622 my_msa_consurf_7ckl.pdb #11/A PHE 1381 CD2 my_msa_consurf_7ckl.pdb #11/A ARG 1380 O -0.117 3.297 7623 my_msa_consurf_7ckl.pdb #11/A TRP 1392 O my_msa_consurf_7ckl.pdb #11/A TRP 1392 CD1 -0.121 3.301 7624 my_msa_consurf_7ckl.pdb #11/B CYS 31 SG my_msa_consurf_7ckl.pdb #11/B CYS 50 N -0.123 3.133 7625 my_msa_consurf_7ckl.pdb #11/A SER 651 O my_msa_consurf_7ckl.pdb #11/A ASP 652 OD1 -0.124 2.964 7626 my_msa_consurf_7ckl.pdb #11/B CYS 31 CB my_msa_consurf_7ckl.pdb #11/B CYS 50 N -0.127 3.647 7627 my_msa_consurf_7ckl.pdb #11/A GLU 608 CB my_msa_consurf_7ckl.pdb #11/A CYS 606 SG -0.133 3.783 7628 my_msa_consurf_7ckl.pdb #11/A LYS 691 NZ my_msa_consurf_7ckl.pdb #11/A GLU 688 O -0.134 2.794 311 [deleted to fit within ticket limits] 312 7629 313 my_msa_consurf_7ckl.pdb #11/B CYS 34 SG my_msa_consurf_7ckl.pdb #11/B GLU 37 CB -0.134 3.784 7630 314 my_msa_consurf_7ckl.pdb #11/B CYS 31 SG my_msa_consurf_7ckl.pdb #11/B LEU 49 CA -0.138 3.788