Changes between Initial Version and Version 1 of Ticket #18674


Ignore:
Timestamp:
Sep 2, 2025, 10:22:03 AM (7 weeks ago)
Author:
pett
Comment:

Legend:

Unmodified
Added
Removed
Modified
  • Ticket #18674

    • Property Component UnassignedWindow Toolkit
    • Property Owner set to Tom Goddard
    • Property Platformall
    • Property ProjectChimeraX
    • Property Status newassigned
    • Property Summary ChimeraX bug report submissionCrash on Mac waking from sleep
  • Ticket #18674 – Description

    initial v1  
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    1371     "uuid" : "c0bef4c8-6fde-3bf3-bb63-abf57c774fb2",
    1372     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/PyQt6\/Qt6\/lib\/QtOpenGLWidgets.framework\/Versions\/A\/QtOpenGLWidgets",
    1373     "name" : "QtOpenGLWidgets"
    1374   },
    1375   {
    1376     "source" : "P",
    1377     "arch" : "arm64",
    1378     "base" : 13327384576,
    1379     "size" : 16384,
    1380     "uuid" : "0b1aabea-6845-3612-bf56-0db9c393cf41",
    1381     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/alignment_algs\/_sw.cpython-311-darwin.so",
    1382     "name" : "_sw.cpython-311-darwin.so"
    1383   },
    1384   {
    1385     "source" : "P",
    1386     "arch" : "arm64",
    1387     "base" : 13410123776,
    1388     "size" : 16384,
    1389     "uuid" : "9f2e8b62-bfa9-38d9-83cf-ed7dc6912e09",
    1390     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/alignment_algs\/libalign_algs.dylib",
    1391     "name" : "libalign_algs.dylib"
    1392   },
    1393   {
    1394     "source" : "P",
    1395     "arch" : "arm64",
    1396     "base" : 5709725696,
    1397     "size" : 16384,
    1398     "uuid" : "ca997bfb-c135-3465-b398-ba41adc30217",
    1399     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/dssp\/_dssp.cpython-311-darwin.so",
    1400     "name" : "_dssp.cpython-311-darwin.so"
    1401   },
    1402   {
    1403     "source" : "P",
    1404     "arch" : "arm64",
    1405     "base" : 13283721216,
    1406     "size" : 32768,
    1407     "uuid" : "00a0ba07-ef2c-3cc8-9aa1-0c53da9ed3e6",
    1408     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/alignment_algs\/_nw.cpython-311-darwin.so",
    1409     "name" : "_nw.cpython-311-darwin.so"
    1410   },
    1411   {
    1412     "source" : "P",
    1413     "arch" : "arm64",
    1414     "base" : 5706809344,
    1415     "size" : 81920,
    1416     "uuid" : "ead0ea09-d2eb-3b02-a65b-60f085a13fe2",
    1417     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/lz4\/_version.cpython-311-darwin.so",
    1418     "name" : "_version.cpython-311-darwin.so"
    1419   },
    1420   {
    1421     "source" : "P",
    1422     "arch" : "arm64",
    1423     "base" : 5706956800,
    1424     "size" : 163840,
    1425     "uuid" : "cde92a72-b5bf-3f90-95dc-727086bd17db",
    1426     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/lz4\/frame\/_frame.cpython-311-darwin.so",
    1427     "name" : "_frame.cpython-311-darwin.so"
    1428   },
    1429   {
    1430     "source" : "P",
    1431     "arch" : "arm64",
    1432     "base" : 5706547200,
    1433     "size" : 131072,
    1434     "uuid" : "39a94da0-87b0-3f22-93f9-7824c575742c",
    1435     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/core\/_serialize.cpython-311-darwin.so",
    1436     "name" : "_serialize.cpython-311-darwin.so"
    1437   },
    1438   {
    1439     "source" : "P",
    1440     "arch" : "arm64",
    1441     "base" : 13970784256,
    1442     "size" : 131072,
    1443     "uuid" : "b3d610f4-506d-3e12-94f4-541df1bc0fff",
    1444     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/msgpack\/_cmsgpack.cpython-311-darwin.so",
    1445     "name" : "_cmsgpack.cpython-311-darwin.so"
    1446   },
    1447   {
    1448     "source" : "P",
    1449     "arch" : "arm64",
    1450     "base" : 6130450432,
    1451     "size" : 49152,
    1452     "uuid" : "2bed0196-0ac0-3a9f-b04c-1907b9c1e092",
    1453     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/atom_search\/ast.cpython-311-darwin.so",
    1454     "name" : "ast.cpython-311-darwin.so"
    1455   },
    1456   {
    1457     "source" : "P",
    1458     "arch" : "arm64",
    1459     "base" : 13308329984,
    1460     "size" : 81920,
    1461     "uuid" : "6f70cad3-dcb4-30f4-a886-666d124ed77f",
    1462     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/chem_group\/_chem_group.cpython-311-darwin.so",
    1463     "name" : "_chem_group.cpython-311-darwin.so"
    1464   },
    1465   {
    1466     "source" : "P",
    1467     "arch" : "arm64",
    1468     "base" : 13319241728,
    1469     "size" : 16384,
    1470     "uuid" : "b73c9868-d7da-309a-8d4a-1e5f333d7879",
    1471     "path" : "\/Applications\/ChimeraX-1.10.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/mlp\/_mlp.cpython-311-darwin.so",
    1472     "name" : "_mlp.cpython-311-darwin.so"
    1473   },
    1474   {
    1475     "source" : "P",
    1476     "arch" : "arm64",
    1477     "base" : 13415530496,
    1478     "size" : 114688,
    1479     "uuid" : "eeed9345-c6ca-3901-838d-b142fec81992",
    1480     "path" : "\/Users\/USER\/Library\/Application Support\/ChimeraX\/*\/_pyKVFinder.cpython-311-darwin.so",
    1481     "name" : "_pyKVFinder.cpython-311-darwin.so"
    1482   },
    1483   {
    1484     "source" : "P",
    1485     "arch" : "arm64",
    1486     "base" : 14660927488,
    1487     "size" : 491520,
    1488     "uuid" : "c84ec7aa-d6a2-300c-b853-271379d59690",
    1489     "path" : "\/Users\/USER\/Library\/Application Support\/ChimeraX\/*\/libomp.dylib",
    1490     "name" : "libomp.dylib"
    1491   },
    1492   {
    1493     "source" : "P",
    1494     "arch" : "arm64e",
    1495     "base" : 6579965952,
    1496     "size" : 243284,
    1497     "uuid" : "6e4a96ad-04b8-3e8a-b91d-087e62306246",
    1498     "path" : "\/usr\/lib\/system\/libsystem_kernel.dylib",
    1499     "name" : "libsystem_kernel.dylib"
    1500   },
    1501   {
    1502     "source" : "P",
    1503     "arch" : "arm64e",
    1504     "base" : 6580211712,
    1505     "size" : 51784,
    1506     "uuid" : "d6494ba9-171e-39fc-b1aa-28ecf87975d1",
    1507     "path" : "\/usr\/lib\/system\/libsystem_pthread.dylib",
    1508     "name" : "libsystem_pthread.dylib"
    1509   },
    1510   {
    1511     "source" : "P",
    1512     "arch" : "arm64e",
    1513     "base" : 6578733056,
    1514     "size" : 528964,
    1515     "uuid" : "dfea8794-80ce-37c3-8f6a-108aa1d0b1b0",
    1516     "path" : "\/usr\/lib\/system\/libsystem_c.dylib",
    1517     "name" : "libsystem_c.dylib"
    1518   },
    1519   {
    1520     "source" : "P",
    1521     "arch" : "arm64e",
    1522     "base" : 6580461568,
    1523     "size" : 32268,
    1524     "uuid" : "fd19a599-8750-31f9-924f-c2810c938371",
    1525     "path" : "\/usr\/lib\/system\/libsystem_platform.dylib",
    1526     "name" : "libsystem_platform.dylib"
    1527   },
    1528   {
    1529     "source" : "P",
    1530     "arch" : "arm64e",
    1531     "base" : 6647164928,
    1532     "CFBundleShortVersionString" : "6.9",
    1533     "CFBundleIdentifier" : "com.apple.AppKit",
    1534     "size" : 21564992,
    1535     "uuid" : "860c164c-d04c-30ff-8c6f-e672b74caf11",
    1536     "path" : "\/System\/Library\/Frameworks\/AppKit.framework\/Versions\/C\/AppKit",
    1537     "name" : "AppKit",
    1538     "CFBundleVersion" : "2575.70.52"
    1539   },
    1540   {
    1541     "source" : "P",
    1542     "arch" : "arm64e",
    1543     "base" : 6681145344,
    1544     "CFBundleShortVersionString" : "1.600.0",
    1545     "CFBundleIdentifier" : "com.apple.SkyLight",
    1546     "size" : 5398624,
    1547     "uuid" : "4e052846-80c2-38af-85bf-1482e070a32b",
    1548     "path" : "\/System\/Library\/PrivateFrameworks\/SkyLight.framework\/Versions\/A\/SkyLight",
    1549     "name" : "SkyLight"
    1550   },
    1551   {
    1552     "source" : "P",
    1553     "arch" : "arm64e",
    1554     "base" : 6578429952,
    1555     "size" : 288608,
    1556     "uuid" : "24ce0d89-4114-30c2-a81a-3db1f5931cff",
    1557     "path" : "\/usr\/lib\/system\/libdispatch.dylib",
    1558     "name" : "libdispatch.dylib"
    1559   },
    1560   {
    1561     "source" : "P",
    1562     "arch" : "arm64e",
    1563     "base" : 6580690944,
    1564     "CFBundleShortVersionString" : "6.9",
    1565     "CFBundleIdentifier" : "com.apple.CoreFoundation",
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    1567     "uuid" : "8d45baee-6cc0-3b89-93fd-ea1c8e15c6d7",
    1568     "path" : "\/System\/Library\/Frameworks\/CoreFoundation.framework\/Versions\/A\/CoreFoundation",
    1569     "name" : "CoreFoundation",
    1570     "CFBundleVersion" : "3603"
    1571   },
    1572   {
    1573     "source" : "P",
    1574     "arch" : "arm64e",
    1575     "base" : 6776094720,
    1576     "CFBundleShortVersionString" : "2.1.1",
    1577     "CFBundleIdentifier" : "com.apple.HIToolbox",
    1578     "size" : 3174368,
    1579     "uuid" : "1a037942-11e0-3fc8-aad2-20b11e7ae1a4",
    1580     "path" : "\/System\/Library\/Frameworks\/Carbon.framework\/Versions\/A\/Frameworks\/HIToolbox.framework\/Versions\/A\/HIToolbox",
    1581     "name" : "HIToolbox"
    1582   },
    1583   {
    1584     "source" : "P",
    1585     "arch" : "arm64e",
    1586     "base" : 6576406528,
    1587     "size" : 636280,
    1588     "uuid" : "3247e185-ced2-36ff-9e29-47a77c23e004",
    1589     "path" : "\/usr\/lib\/dyld",
    1590     "name" : "dyld"
    1591   },
    1592   {
    1593     "size" : 0,
    1594     "source" : "A",
    1595     "base" : 0,
    1596     "uuid" : "00000000-0000-0000-0000-000000000000"
    1597   },
    1598   {
    1599     "source" : "P",
    1600     "arch" : "arm64e",
    1601     "base" : 6603698176,
    1602     "CFBundleShortVersionString" : "6.9",
    1603     "CFBundleIdentifier" : "com.apple.Foundation",
    1604     "size" : 14587296,
    1605     "uuid" : "b9a92060-f21e-3ecf-9ded-94a65c68a6f4",
    1606     "path" : "\/System\/Library\/Frameworks\/Foundation.framework\/Versions\/C\/Foundation",
    1607     "name" : "Foundation",
    1608     "CFBundleVersion" : "3603"
    1609   }
     73[deleted to fit within ticket limits]
     74
    161075],
    161176  "sharedCache" : {
     
    25831048> ui mousemode right "rotate selected models"
    25841049
    2585 > view matrix models
    2586 > #2,-0.95306,-0.23881,-0.18612,55.377,0.066915,0.4334,-0.89871,42.854,0.29528,-0.86899,-0.39708,32.966
    2587 
    2588 > view matrix models
    2589 > #2,-0.95139,0.064309,-0.30119,55.993,0.3073,0.26314,-0.91451,37.267,0.020443,-0.96261,-0.27011,38.734
    2590 
    2591 > view matrix models
    2592 > #2,-0.9238,0.27869,-0.26252,48.177,0.34,0.28194,-0.89717,34.491,-0.17602,-0.91806,-0.35522,51.067
    2593 
    2594 > view matrix models
    2595 > #2,-0.95121,0.25091,-0.17957,44.939,0.26484,0.36532,-0.89241,35.635,-0.15831,-0.89643,-0.41395,53.39
    2596 
    2597 > volume #1 level 0.0347
    2598 
    2599 > volume #1 level 0.1003
    2600 
    2601 > ui mousemode right "translate selected models"
    2602 
    2603 > ui mousemode right "rotate selected models"
    2604 
    2605 > view matrix models
    2606 > #2,-0.93909,0.24057,-0.24544,48.57,0.32404,0.38183,-0.86557,31.238,-0.11451,-0.89237,-0.43653,52.832
    2607 
    2608 > volume #1 level 0.1162
    2609 
    2610 > select clear
    2611 
    2612 > open /Users/u6290062/Library/CloudStorage/OneDrive-
    2613 > AustralianNationalUniversity/Documents/BIO-
    2614 > SAXS_data/EPN_24196/reduced_data/standard_mode_reduction/1E4_12mgml_2565fa7c_E12k4_D750/DENSS_20_slow/A_S_SM_1E4_12mgml_2565fa7c_E12k4_D750_refine_aligned.mrc
    2615 
    2616 Opened A_S_SM_1E4_12mgml_2565fa7c_E12k4_D750_refine_aligned.mrc as #3, grid
    2617 size 64,64,64, pixel 2.58, shown at level 0.00127, step 1, values float32 
    2618 
    2619 > volume #3 level 0.05394
    2620 
    2621 > select add #3
    2622 
    2623 2 models selected 
    2624 
    2625 > view matrix models
    2626 > #3,0.90439,-0.32834,0.27253,0.55824,0.30016,0.03557,-0.95322,1.122,0.30329,0.94389,0.13073,-1.6301
    2627 
    2628 > view matrix models
    2629 > #3,0.90114,-0.28883,0.3233,0.53428,0.34884,0.0403,-0.93632,1.1979,0.25741,0.95653,0.13707,-1.7097
    2630 
    2631 > view matrix models
    2632 > #3,0.90998,-0.25742,0.32508,0.50189,0.36592,0.12972,-0.92156,1.1016,0.19506,0.95755,0.21223,-1.7428
    2633 
    2634 > volume #3 level 0.01005
    2635 
    2636 > view matrix models
    2637 > #3,0.85452,-0.29737,0.42588,0.71244,0.4528,0.024725,-0.89127,1.7863,0.2545,0.95444,0.15578,-1.6904
    2638 
    2639 > view matrix models
    2640 > #3,0.82766,-0.42728,0.36389,0.72372,0.4185,0.037858,-0.90743,1.571,0.37395,0.90333,0.21015,-0.93365
    2641 
    2642 > view matrix models
    2643 > #3,0.82868,-0.44662,0.33737,0.68869,0.4024,0.056409,-0.91373,1.444,0.38905,0.89295,0.22646,-0.79796
    2644 
    2645 > ui mousemode right "translate selected models"
    2646 
    2647 > view matrix models
    2648 > #3,0.82868,-0.44662,0.33737,2.7517,0.4024,0.056409,-0.91373,0.90906,0.38905,0.89295,0.22646,2.1876
    2649 
    2650 > volume #3 level 0.02761
    2651 
    2652 > volume #3 style mesh
    2653 
    2654 > select clear
    2655 
    2656 > hide #!1 models
    2657 
    2658 > color #3 black models
    2659 
    2660 > color #3 #942193ff models
    2661 
    2662 > color #3 #0433ffff models
    2663 
    2664 > color #3 #9437ffff models
    2665 
    2666 > color #3 #ff2600ff models
    2667 
    2668 > color #3 #d6d6d6ff models
    2669 
    2670 > color #3 #919191ff models
    2671 
    2672 > color #3 #797979ff models
    2673 
    2674 > color #3 silver models
    2675 
    2676 > color #3 darkgrey models
    2677 
    2678 > show #!1 models
    2679 
    2680 > hide #!3 models
    2681 
    2682 > show #!3 models
    2683 
    2684 > volume #3 level -0.007502
    2685 
    2686 > hide #!3 models
    2687 
    2688 > ui mousemode right "rotate selected models"
    2689 
    2690 > select add #2
    2691 
    2692 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    2693 
    2694 > view matrix models
    2695 > #2,-0.93051,0.25996,-0.25802,48.569,0.35574,0.47383,-0.80556,24.471,-0.087155,-0.84137,-0.53338,56.427
    2696 
    2697 > view matrix models
    2698 > #2,-0.65984,0.74305,-0.1117,18.76,0.46661,0.28868,-0.83602,25.446,-0.58896,-0.60377,-0.5372,72.682
    2699 
    2700 > view matrix models
    2701 > #2,-0.65535,0.74253,-0.13843,20.177,0.50482,0.29426,-0.81152,22.284,-0.56185,-0.60171,-0.56769,73.329
    2702 
    2703 > view matrix models
    2704 > #2,-0.81072,0.54348,-0.21764,35.41,0.43735,0.31511,-0.84228,26.497,-0.38917,-0.77803,-0.49316,65.298
    2705 
    2706 > hide #2 models
    2707 
    2708 > show #2 models
    2709 
    2710 > select subtract #2
    2711 
    2712 Nothing selected 
    2713 
    2714 > select clear
    2715 
    2716 > volume #1 level 0.09437
    2717 
    2718 > ui mousemode right "translate selected models"
    2719 
    2720 > hide #2 models
    2721 
    2722 > show #2 models
    2723 
    2724 > select add #2
    2725 
    2726 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    2727 
    2728 > view matrix models
    2729 > #2,-0.81072,0.54348,-0.21764,35.713,0.43735,0.31511,-0.84228,24.938,-0.38917,-0.77803,-0.49316,64.981
    2730 
    2731 > hide #2 models
    2732 
    2733 > show #2 models
    2734 
    2735 > select subtract #2
    2736 
    2737 Nothing selected 
    2738 
    2739 > color #2 #919191ff
    2740 
    2741 > color #2 #008f00ff
    2742 
    2743 > color #2 #919191ff
    2744 
    2745 > color #2 #797979ff
    2746 
    2747 > color #2 #919191ff
    2748 
    2749 > color #2 darkgrey
    2750 
    2751 > color #2 silver
    2752 
    2753 > color #2 #919191ff
    2754 
    2755 > color #2 #929292ff
    2756 
    2757 > color #1 #797979ff models
    2758 
    2759 > color #1 #919191ff models
    2760 
    2761 > color #1 #797979ff models
    2762 
    2763 > color #1 #5e5e5eff models
    2764 
    2765 > color #1 #797979ff models
    2766 
    2767 > color #1 #919191ff models
    2768 
    2769 > select clear
    2770 
    2771 > volume #1 level 0.1123
    2772 
    2773 > volume #1 level 0.1819
    2774 
    2775 > volume #1 level 0.1262
    2776 
    2777 > volume #1 level 0.08243
    2778 
    2779 > select add #2
    2780 
    2781 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    2782 
    2783 > view matrix models
    2784 > #2,-0.81072,0.54348,-0.21764,35.569,0.43735,0.31511,-0.84228,25.584,-0.38917,-0.77803,-0.49316,65.236
    2785 
    2786 > ui mousemode right "rotate selected models"
    2787 
    2788 > view matrix models
    2789 > #2,-0.076082,0.97165,0.22384,-30.001,0.62727,0.22114,-0.74674,13.908,-0.77507,0.083593,-0.62632,71.673
    2790 
    2791 > select subtract #2
    2792 
    2793 Nothing selected 
    2794 
    2795 > select clear
    2796 
    2797 > volume #1 level 0.168
    2798 
    2799 > select clear
    2800 
    2801 > select add #2
    2802 
    2803 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    2804 
    2805 > view matrix models
    2806 > #2,-0.084348,0.96935,0.23075,-30.022,0.64497,0.22963,-0.72889,11.936,-0.75954,0.087344,-0.64457,72.039
    2807 
    2808 > view matrix models
    2809 > #2,-0.095717,0.89863,0.42813,-39.871,0.61133,0.3925,-0.68718,7.5333,-0.78557,0.19595,-0.58693,67.475
    2810 
    2811 > view matrix models
    2812 > #2,-0.16416,0.91475,0.36916,-33.84,0.60904,0.38838,-0.69154,7.9715,-0.77596,0.11132,-0.62088,70.822
    2813 
    2814 > view matrix models
    2815 > #2,-0.17183,0.91089,0.37518,-33.801,0.62501,0.39518,-0.67319,6.0759,-0.76147,0.11882,-0.63722,71.04
    2816 
    2817 > view matrix models
    2818 > #2,-0.53276,0.84625,0.0055281,4.5488,-0.58212,-0.3712,0.72342,-11.353,0.61425,0.38219,0.69038,-70.633
    2819 
    2820 > view matrix models
    2821 > #2,-0.47611,0.8724,-0.11061,8.5821,-0.5465,-0.19499,0.81444,-21.845,0.68895,0.44822,0.56961,-67.886
    2822 
    2823 > view matrix models
    2824 > #2,-0.47923,0.87645,-0.046643,4.8173,-0.5294,-0.24626,0.81185,-21.358,0.70006,0.41376,0.582,-68.385
    2825 
    2826 > view matrix models
    2827 > #2,-0.45136,0.88961,-0.069751,4.7676,-0.54197,-0.2112,0.81343,-21.643,0.7089,0.40495,0.57747,-68.303
    2828 
    2829 > view matrix models
    2830 > #2,-0.42339,0.90019,-0.10199,5.3101,-0.68646,-0.24532,0.68454,-7.2606,0.59119,0.35984,0.72181,-71.091
    2831 
    2832 > view matrix models
    2833 > #2,-0.42612,0.89919,-0.099372,5.2879,-0.67465,-0.24267,0.69711,-8.5548,0.60272,0.36409,0.71005,-70.956
    2834 
    2835 > ui mousemode right "translate selected models"
    2836 
    2837 > view matrix models
    2838 > #2,-0.42612,0.89919,-0.099372,5.4026,-0.67465,-0.24267,0.69711,-9.7406,0.60272,0.36409,0.71005,-71.422
    2839 
    2840 > select subtract #2
    2841 
    2842 Nothing selected 
    2843 
    2844 > select clear
    2845 
    2846 > ui mousemode right "rotate selected models"
    2847 
    2848 > select add #2
    2849 
    2850 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    2851 
    2852 > view matrix models
    2853 > #2,-0.43109,0.89722,-0.095713,5.4316,-0.65373,-0.23745,0.71851,-11.992,0.62193,0.37231,0.6889,-71.128
    2854 
    2855 > select subtract #2
    2856 
    2857 Nothing selected 
    2858 
    2859 > ui mousemode right "translate selected models"
    2860 
    2861 > select add #2
    2862 
    2863 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    2864 
    2865 > view matrix models
    2866 > #2,-0.43109,0.89722,-0.095713,5.3511,-0.65373,-0.23745,0.71851,-12.464,0.62193,0.37231,0.6889,-70.662
    2867 
    2868 > hide #!3 models
    2869 
    2870 > volume #1 level 0.1859
    2871 
    2872 > select clear
    2873 
    2874 > volume #1 level 0.286
    2875 
    2876 > volume #1 level 0.186
    2877 
    2878 > color #1 #008f00ff models
    2879 
    2880 > color #1 #fffb00ff models
    2881 
    2882 > color #1 darkgrey models
    2883 
    2884 > color #2 #fffb00ff
    2885 
    2886 > color #2 #fffc79ff
    2887 
    2888 > color #2 #ffd479ff
    2889 
    2890 > color #2 #fffc79ff
    2891 
    2892 > color #2 #d4fb79ff
    2893 
    2894 > color #2 #ebebebff
    2895 
    2896 > color #2 #d6d6d6ff
    2897 
    2898 > color #2 silver
    2899 
    2900 > color #2 darkgrey
    2901 
    2902 > color #2 #929292ff
    2903 
    2904 > color #2 darkgrey
    2905 
    2906 > color #1 black models
    2907 
    2908 > color #1 #424242ff models
    2909 
    2910 > color #1 #797979ff models
    2911 
    2912 > color #1 #929292ff models
    2913 
    2914 > select clear
    2915 
    2916 > volume #1 level 0.176
    2917 
    2918 > volume #1 level 0.196
    2919 
    2920 > volume #1 level 0.199
    2921 
    2922 > select add #2
    2923 
    2924 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    2925 
    2926 > ui mousemode right "rotate selected models"
    2927 
    2928 > view matrix models
    2929 > #2,-0.44073,0.89306,-0.090513,5.5266,-0.62073,-0.23038,0.74941,-15.821,0.64842,0.38647,0.65589,-70.085
    2930 
    2931 > ui mousemode right "translate selected models"
    2932 
    2933 > view matrix models
    2934 > #2,-0.44073,0.89306,-0.090513,5.3586,-0.62073,-0.23038,0.74941,-14.772,0.64842,0.38647,0.65589,-69.805
    2935 
    2936 > ui mousemode right "rotate selected models"
    2937 
    2938 > view matrix models
    2939 > #2,-0.43095,0.89704,-0.097985,5.3165,-0.6493,-0.23285,0.72401,-12.02,0.62665,0.37564,0.6828,-70.283
    2940 
    2941 > ui mousemode right "translate selected models"
    2942 
    2943 > view matrix models
    2944 > #2,-0.43095,0.89704,-0.097985,5.6796,-0.6493,-0.23285,0.72401,-12.965,0.62665,0.37564,0.6828,-71.117
    2945 
    2946 > view matrix models
    2947 > #2,-0.43095,0.89704,-0.097985,5.4149,-0.6493,-0.23285,0.72401,-12.877,0.62665,0.37564,0.6828,-70.315
    2948 
    2949 > view matrix models
    2950 > #2,-0.43095,0.89704,-0.097985,5.4984,-0.6493,-0.23285,0.72401,-12.89,0.62665,0.37564,0.6828,-70.577
    2951 
    2952 > view matrix models
    2953 > #2,-0.43095,0.89704,-0.097985,5.4888,-0.6493,-0.23285,0.72401,-12.815,0.62665,0.37564,0.6828,-70.588
    2954 
    2955 > ui mousemode right "rotate selected models"
    2956 
    2957 > view matrix models
    2958 > #2,-0.42984,0.89753,-0.098356,5.4545,-0.65201,-0.23319,0.72146,-12.543,0.6246,0.37424,0.68544,-70.632
    2959 
    2960 > view matrix models
    2961 > #2,0.72897,0.67465,0.11595,-50.959,-0.28779,0.14835,0.94613,-48.843,0.62111,-0.72307,0.3023,-25.316
    2962 
    2963 > view matrix models
    2964 > #2,-0.36726,0.88871,-0.27443,13.524,-0.68642,-0.059863,0.72474,-14.837,0.62766,0.45454,0.63201,-69.211
    2965 
    2966 > ui mousemode right "translate selected models"
    2967 
    2968 > view matrix models
    2969 > #2,-0.36726,0.88871,-0.27443,13.257,-0.68642,-0.059863,0.72474,-14.235,0.62766,0.45454,0.63201,-68.693
    2970 
    2971 > select clear
    2972 
    2973 > ui mousemode right "rotate selected models"
    2974 
    2975 > select add #2
    2976 
    2977 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    2978 
    2979 > view matrix models
    2980 > #2,-0.35924,0.89032,-0.27979,13.21,-0.7067,-0.063715,0.70464,-12.115,0.60952,0.45086,0.65208,-69.06
    2981 
    2982 > ui mousemode right "translate selected models"
    2983 
    2984 > view matrix models
    2985 > #2,-0.35924,0.89032,-0.27979,13.406,-0.7067,-0.063715,0.70464,-11.986,0.60952,0.45086,0.65208,-69.65
    2986 
    2987 > select subtract #2
    2988 
    2989 Nothing selected 
    2990 
    2991 > ui mousemode right "rotate selected models"
    2992 
    2993 > select add #2
    2994 
    2995 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    2996 
    2997 > view matrix models
    2998 > #2,-0.38281,0.70266,-0.59978,37.274,-0.84038,-0.5345,-0.089808,50.497,-0.38369,0.46966,0.79511,-37.26
    2999 
    3000 > view matrix models
    3001 > #2,-0.26922,0.56303,-0.78135,46.214,-0.82765,0.27958,0.48664,-0.95674,0.49245,0.77771,0.39073,-55.863
    3002 
    3003 > view matrix models
    3004 > #2,-0.41461,-0.73281,-0.53952,64.232,-0.65936,-0.16669,0.73311,-13.555,-0.62717,0.65969,-0.41408,41.049
    3005 
    3006 > view matrix models
    3007 > #2,0.57268,-0.81626,0.07588,-11.79,-0.3511,-0.16058,0.92246,-37.78,-0.74079,-0.55492,-0.37855,68.386
    3008 
    3009 > view matrix models
    3010 > #2,0.5712,-0.81739,0.0749,-11.647,-0.35131,-0.16099,0.92231,-37.754,-0.74183,-0.55314,-0.37911,68.426
    3011 
    3012 > view matrix models
    3013 > #2,0.26197,-0.9629,-0.064823,12.498,-0.1515,-0.10737,0.98261,-50.746,-0.95311,-0.2476,-0.17401,58.768
    3014 
    3015 > view matrix models
    3016 > #2,0.28078,-0.95711,-0.071408,11.991,-0.22437,-0.1378,0.96471,-46.03,-0.93318,-0.25485,-0.25344,62.82
    3017 
    3018 > view matrix models
    3019 > #2,0.28266,-0.95661,-0.070694,11.86,-0.22403,-0.1375,0.96483,-46.058,-0.93269,-0.25688,-0.25317,62.826
    3020 
    3021 > select clear
    3022 
    3023 > select add #2
    3024 
    3025 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    3026 
    3027 > view matrix models
    3028 > #2,0.27601,-0.95878,-0.067489,11.99,-0.18811,-0.12274,0.97445,-48.425,-0.94257,-0.25626,-0.21423,60.903
    3029 
    3030 > select clear
    3031 
    3032 > select add #2
    3033 
    3034 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    3035 
    3036 > ui mousemode right "translate selected models"
    3037 
    3038 > view matrix models
    3039 > #2,0.27601,-0.95878,-0.067489,12.105,-0.18811,-0.12274,0.97445,-49.331,-0.94257,-0.25626,-0.21423,60.712
    3040 
    3041 > select subtract #2
    3042 
    3043 Nothing selected 
    3044 
    3045 > volume #1 level 0.1354
    3046 
    3047 > select add #2
    3048 
    3049 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    3050 
    3051 > view matrix models
    3052 > #2,0.27601,-0.95878,-0.067489,11.743,-0.18811,-0.12274,0.97445,-45.93,-0.94257,-0.25626,-0.21423,61.16
    3053 
    3054 > ui mousemode right "rotate selected models"
    3055 
    3056 > view matrix models
    3057 > #2,0.26169,-0.96512,-0.0071889,8.8737,-0.27926,-0.082848,0.95663,-41.891,-0.92387,-0.24834,-0.2912,64.807
    3058 
    3059 > view matrix models
    3060 > #2,-0.035977,-0.9571,-0.28751,37.791,-0.050686,-0.28557,0.95702,-47.29,-0.99807,0.049004,-0.038238,46.765
    3061 
    3062 > view matrix models
    3063 > #2,0.35137,-0.93581,0.028388,2.4282,-0.25569,-0.066748,0.96445,-43.665,-0.90064,-0.34614,-0.26273,64.136
    3064 
    3065 > view matrix models
    3066 > #2,0.39555,-0.91755,-0.040398,4.3186,-0.20352,-0.13046,0.97034,-44.888,-0.89561,-0.3756,-0.23834,63.074
    3067 
    3068 > ui mousemode right "translate selected models"
    3069 
    3070 > view matrix models
    3071 > #2,0.39555,-0.91755,-0.040398,5.0464,-0.20352,-0.13046,0.97034,-47.195,-0.89561,-0.3756,-0.23834,63.401
    3072 
    3073 > view matrix models
    3074 > #2,0.39555,-0.91755,-0.040398,4.9786,-0.20352,-0.13046,0.97034,-47.153,-0.89561,-0.3756,-0.23834,63.196
    3075 
    3076 > select clear
    3077 
    3078 > volume #1 level 0.145
    3079 
    3080 > volume #1 level 0.155
    3081 
    3082 > graphics silhouettes true
    3083 
    3084 > graphics silhouettes width 0.5
    3085 
    3086 > graphics silhouettes width 0.6
    3087 
    3088 > graphics silhouettes width 0.7
    3089 
    3090 > graphics silhouettes width 0.8
    3091 
    3092 > select clear
    3093 
    3094 > lighting flat
    3095 
    3096 > lighting soft
    3097 
    3098 > lighting simple
    3099 
    3100 > lighting full
    3101 
    3102 > lighting flat
    3103 
    3104 > lighting shadows true intensity 0.5
    3105 
    3106 > lighting soft
    3107 
    3108 > lighting shadows true intensity 0.5
    3109 
    3110 > lighting soft
    3111 
    3112 > ui mousemode right "rotate selected models"
    3113 
    3114 > select add #2
    3115 
    3116 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    3117 
    3118 > view matrix models
    3119 > #2,0.40195,-0.91481,-0.039464,4.601,-0.25621,-0.15374,0.95432,-43.534,-0.87909,-0.37348,-0.29618,65.912
    3120 
    3121 > ui mousemode right "translate selected models"
    3122 
    3123 > view matrix models
    3124 > #2,0.40195,-0.91481,-0.039464,4.4932,-0.25621,-0.15374,0.95432,-42.647,-0.87909,-0.37348,-0.29618,65.627
    3125 
    3126 > view matrix models
    3127 > #2,0.40195,-0.91481,-0.039464,4.451,-0.25621,-0.15374,0.95432,-42.319,-0.87909,-0.37348,-0.29618,65.366
    3128 
    3129 > ui mousemode right "rotate selected models"
    3130 
    3131 > view matrix models
    3132 > #2,0.57486,-0.81089,0.10955,-13.734,-0.28538,-0.073207,0.95562,-42.824,-0.76688,-0.58061,-0.27349,63.566
    3133 
    3134 > ui mousemode right "translate selected models"
    3135 
    3136 > view matrix models
    3137 > #2,0.57486,-0.81089,0.10955,-13.705,-0.28538,-0.073207,0.95562,-42.949,-0.76688,-0.58061,-0.27349,64.475
    3138 
    3139 > ui mousemode right "rotate selected models"
    3140 
    3141 > view matrix models
    3142 > #2,0.57073,-0.81388,0.10894,-13.436,-0.25194,-0.047294,0.96659,-45.521,-0.78153,-0.57911,-0.23204,62.584
    3143 
    3144 > view matrix models
    3145 > #2,0.57664,-0.80321,0.14948,-16.314,-0.27198,-0.016199,0.96217,-45.057,-0.7704,-0.59548,-0.2278,62.202
    3146 
    3147 > view matrix models
    3148 > #2,0.58355,-0.80984,0.060278,-11.151,-0.22137,-0.087221,0.97128,-46.259,-0.78132,-0.58013,-0.23017,62.485
    3149 
    3150 > view matrix models
    3151 > #2,0.58355,-0.80986,0.06001,-11.135,-0.22078,-0.087106,0.97143,-46.294,-0.78149,-0.58012,-0.22963,62.46
    3152 
    3153 > view matrix models
    3154 > #2,0.47365,-0.87566,0.094267,-7.2668,-0.26187,-0.03783,0.96436,-45.168,-0.84088,-0.48145,-0.24723,63.968
    3155 
    3156 > ui mousemode right "translate selected models"
    3157 
    3158 > view matrix models
    3159 > #2,0.47365,-0.87566,0.094267,-7.0143,-0.26187,-0.03783,0.96436,-45.913,-0.84088,-0.48145,-0.24723,63.068
    3160 
    3161 > select clear
    3162 
    3163 > volume #1 level 0.165
    3164 
    3165 > volume #1 level 0.175
    3166 
    3167 > volume #1 level 0.185
    3168 
    3169 > volume #1 level 0.195
    3170 
    3171 > color #2 #f6f6f6ff
    3172 
    3173 > color #2 #942193ff
    3174 
    3175 > color #2 #941751ff
    3176 
    3177 > select /A
    3178 
    3179 888 atoms, 902 bonds, 68 residues, 1 model selected 
    3180 
    3181 > ui tool show "Color Actions"
    3182 
    3183 > color sel slate gray
    3184 
    3185 > select /B
    3186 
    3187 880 atoms, 896 bonds, 66 residues, 1 model selected 
    3188 
    3189 > color sel light gray target c
    3190 
    3191 > color sel silver target c
    3192 
    3193 > select clear
    3194 
    3195 > select /B
    3196 
    3197 880 atoms, 896 bonds, 66 residues, 1 model selected 
    3198 
    3199 > color sel gray target c
    3200 
    3201 > color sel light gray target c
    3202 
    3203 > color sel silver target c
    3204 
    3205 > color sel gainsboro target c
    3206 
    3207 > color sel silver target c
    3208 
    3209 > select clear
    3210 
    3211 > color #1 black models
    3212 
    3213 > color #1 #212121ff models
    3214 
    3215 > color #1 #424242ff models
    3216 
    3217 > color #1 #5e5e5eff models
    3218 
    3219 > color #1 #797979ff models
    3220 
    3221 > select add #2
    3222 
    3223 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    3224 
    3225 > view matrix models
    3226 > #2,0.47365,-0.87566,0.094267,-6.1759,-0.26187,-0.03783,0.96436,-45.88,-0.84088,-0.48145,-0.24723,62.917
    3227 
    3228 > ui mousemode right "rotate selected models"
    3229 
    3230 > view matrix models
    3231 > #2,0.50678,-0.86127,0.037171,-4.4442,-0.18467,-0.066345,0.98056,-49.475,-0.84206,-0.5038,-0.19268,60.17
    3232 
    3233 > select clear
    3234 
    3235 > select /B
    3236 
    3237 880 atoms, 896 bonds, 66 residues, 1 model selected 
    3238 
    3239 > color sel black target c
    3240 
    3241 > color sel light slate gray target c
    3242 
    3243 > color sel slate gray target c
    3244 
    3245 > color sel gray target c
    3246 
    3247 > color sel gainsboro target c
    3248 
    3249 > color sel light gray target c
    3250 
    3251 > select clear
    3252 
    3253 > lighting soft
    3254 
    3255 > lighting flat
    3256 
    3257 > select /B
    3258 
    3259 880 atoms, 896 bonds, 66 residues, 1 model selected 
    3260 
    3261 > color sel gray target c
    3262 
    3263 > color sel silver target c
    3264 
    3265 > color sel light gray target c
    3266 
    3267 > color sel silver target c
    3268 
    3269 > select clear
    3270 
    3271 > select /B
    3272 
    3273 880 atoms, 896 bonds, 66 residues, 1 model selected 
    3274 
    3275 > color sel dark gray target c
    3276 
    3277 > select clear
    3278 
    3279 > volume #1 level 0.205
    3280 
    3281 > save /Users/u6290062/Library/CloudStorage/OneDrive-
    3282 > AustralianNationalUniversity/Documents/BIO-SAXS_data/1E4_DENSS_model.cxs
    3283 
    3284 > save /Users/u6290062/Library/CloudStorage/OneDrive-
    3285 > AustralianNationalUniversity/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/1E4-SAXS-
    3286 > model.png width 867 height 739 supersample 4 transparentBackground true
    3287 
    3288 > hide #!1 models
    3289 
    3290 > select clear
    3291 
    3292 > show atoms
    3293 
    3294 > ui tool show Contacts
    3295 
    3296 > contacts saveFile /Users/u6290062/Downloads/1E4-contacts ignoreHiddenModels
    3297 > true select true reveal true
    3298 
    3299 1110 contacts 
    3300 
    3301 > close #1
    3302 
    3303 > close #3
    3304 
    3305 > close #2.1
    3306 
    3307 > select clear
    3308 
    3309 > ui tool show Contacts
    3310 
    3311 > select /A
    3312 
    3313 888 atoms, 902 bonds, 68 residues, 1 model selected 
    3314 
    3315 > select add #2
    3316 
    3317 1823 atoms, 1798 bonds, 189 residues, 1 model selected 
    3318 
    3319 > contacts sel restrict both intraModel false intraMol false
    3320 > ignoreHiddenModels true select true reveal true log true
    3321    
    3322    
    3323     Allowed overlap: -0.4
    3324     H-bond overlap reduction: 0.4
    3325     Ignore contacts between atoms separated by 4 bonds or less
    3326     Detect intra-residue contacts: False
    3327     Detect intra-molecule contacts: False
    3328    
    3329     0 contacts
    3330     atom1  atom2  overlap  distance
    3331    
    3332 
    3333  
    3334 No contacts 
    3335 
    3336 > select clear
    3337 
    3338 > hide atoms
    3339 
    3340 > select /A-B:40
    3341 
    3342 34 atoms, 34 bonds, 2 residues, 1 model selected 
    3343 
    3344 > select /A-B:40
    3345 
    3346 34 atoms, 34 bonds, 2 residues, 1 model selected 
    3347 
    3348 > select /A-B:41
    3349 
    3350 28 atoms, 26 bonds, 2 residues, 1 model selected 
    3351 
    3352 > select /A-B:41
    3353 
    3354 28 atoms, 26 bonds, 2 residues, 1 model selected 
    3355 
    3356 > select /A-B:40
    3357 
    3358 34 atoms, 34 bonds, 2 residues, 1 model selected 
    3359 
    3360 > select /A-B:40-41
    3361 
    3362 62 atoms, 62 bonds, 4 residues, 1 model selected 
    3363 
    3364 > select /A-B:40-41
    3365 
    3366 62 atoms, 62 bonds, 4 residues, 1 model selected 
    3367 
    3368 > select /A-B:40-41
    3369 
    3370 62 atoms, 62 bonds, 4 residues, 1 model selected 
    3371 
    3372 > select clear
    3373 
    3374 > select /A-B:40-41
    3375 
    3376 62 atoms, 62 bonds, 4 residues, 1 model selected 
    3377 
    3378 > select /A-B:40-41
    3379 
    3380 62 atoms, 62 bonds, 4 residues, 1 model selected 
    3381 
    3382 > show sel atoms
    3383 
    3384 > select clear
    3385 
    3386 > select /A-B:46-47
    3387 
    3388 74 atoms, 74 bonds, 4 residues, 1 model selected 
    3389 
    3390 > select /A-B:46-50
    3391 
    3392 168 atoms, 172 bonds, 10 residues, 1 model selected 
    3393 
    3394 > show sel atoms
    3395 
    3396 > select clear
    3397 
    3398 > select /A-B:60-61
    3399 
    3400 66 atoms, 64 bonds, 4 residues, 1 model selected 
    3401 
    3402 > select /A-B:60-62
    3403 
    3404 104 atoms, 102 bonds, 6 residues, 1 model selected 
    3405 
    3406 > show sel atoms
    3407 
    3408 > select clear
    3409 
    3410 > select /A
    3411 
    3412 888 atoms, 902 bonds, 68 residues, 1 model selected 
    3413 
    3414 > select /B
    3415 
    3416 880 atoms, 896 bonds, 66 residues, 1 model selected 
    3417 
    3418 > color sel silver target c
    3419 
    3420 > color sel light gray target c
    3421 
    3422 > color sel silver target ac
    3423 
    3424 > color sel dim gray target ac
    3425 
    3426 > color sel gray target ac
    3427 
    3428 > color sel dark gray target ac
    3429 
    3430 > select clear
    3431 
    3432 > color byhetero
    3433 
    3434 > select clear
    3435 
    3436 > graphics silhouettes false
    3437 
    3438 > graphics silhouettes true
    3439 
    3440 > lighting soft
    3441 
    3442 > graphics silhouettes false
    3443 
    3444 > graphics silhouettes true
    3445 
    3446 > graphics silhouettes false
    3447 
    3448 > graphics silhouettes true
    3449 
    3450 > lighting soft
    3451 
    3452 > lighting shadows true intensity 0.5
    3453 
    3454 > lighting soft
    3455 
    3456 > graphics silhouettes width 1
    3457 
    3458 > select clear
    3459 
    3460 > select ::name="HOH"
    3461 
    3462 55 atoms, 55 residues, 1 model selected 
    3463 
    3464 > show sel atoms
    3465 
    3466 > select clear
    3467 
    3468 > select /A-B:60
    3469 
    3470 34 atoms, 32 bonds, 2 residues, 1 model selected 
    3471 
    3472 > select /A-B:60-62
    3473 
    3474 104 atoms, 102 bonds, 6 residues, 1 model selected 
    3475 
    3476 > select /A-B:61-62
    3477 
    3478 70 atoms, 68 bonds, 4 residues, 1 model selected 
    3479 
    3480 > select /A-B:61-62
    3481 
    3482 70 atoms, 68 bonds, 4 residues, 1 model selected 
    3483 
    3484 > select clear
    3485 
    3486 > show surfaces
    3487 
    3488 > select clear
    3489 
    3490 > hide surfaces
    3491 
    3492 > select clear
    3493 
    3494 > hide atoms
    3495 
    3496 > select clear
    3497 
    3498 > select /A-B:61-62
    3499 
    3500 70 atoms, 68 bonds, 4 residues, 1 model selected 
    3501 
    3502 > select /A-B:61-62
    3503 
    3504 70 atoms, 68 bonds, 4 residues, 1 model selected 
    3505 
    3506 > select /A-B:50
    3507 
    3508 40 atoms, 40 bonds, 2 residues, 1 model selected 
    3509 
    3510 > select /A-B:50
    3511 
    3512 40 atoms, 40 bonds, 2 residues, 1 model selected 
    3513 
    3514 > select /A-B:50,61-62
    3515 
    3516 110 atoms, 108 bonds, 6 residues, 1 model selected 
    3517 
    3518 > show sel atoms
    3519 
    3520 > select clear
    3521 
    3522 > show cartoons
    3523 
    3524 > select clear
    3525 
    3526 > hide atoms
    3527 
    3528 > select add /B:21
    3529 
    3530 11 atoms, 10 bonds, 1 residue, 1 model selected 
    3531 
    3532 > setattr #2:19-21 res ss_type )
    3533 
    3534 Assigning ss_type attribute to 8 items 
    3535 Cannot set attribute 'ss_type' to ')' 
    3536 
    3537 > setattr #2:19-21 res ss_type 0
    3538 
    3539 Assigning ss_type attribute to 8 items 
    3540 
    3541 > select clear
    3542 
    3543 > show surfaces
    3544 
    3545 > select clear
    3546 
    3547 > transparency 50
    3548 
    3549 > select clear
    3550 
    3551 > transparency 70
    3552 
    3553 > select clear
    3554 
    3555 > save
    3556 > /Users/u6290062/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/1E4-dimer-
    3557 > crescent.png width 791 height 739 supersample 4 transparentBackground true
    3558 
    3559 > select clear
    3560 
    3561 > transparency 0
    3562 
    3563 > select clear
    3564 
    3565 > transparency 70
    3566 
    3567 > select clear
    3568 
    3569 > save
    3570 > /Users/u6290062/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/1E4-dimer-
    3571 > core.png width 791 height 739 supersample 4 transparentBackground true
    3572 
    3573 > select clear
    3574 
    3575 > transparency 0
    3576 
    3577 > transparency 50
    3578 
    3579 > select /A-B:61-62
    3580 
    3581 70 atoms, 68 bonds, 4 residues, 1 model selected 
    3582 
    3583 > select /A-B:61-62
    3584 
    3585 70 atoms, 68 bonds, 4 residues, 1 model selected 
    3586 
    3587 > select clear
    3588 
    3589 > transparency 70
    3590 
    3591 > select clear
    3592 
    3593 > save
    3594 > /Users/u6290062/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/1E4-dimer-
    3595 > hydrophobic.png width 791 height 739 supersample 4 transparentBackground
    3596 > true
    3597 
    3598 > select clear
    3599 
    3600 > select /A-B:41
    3601 
    3602 28 atoms, 26 bonds, 2 residues, 1 model selected 
    3603 
    3604 > select /A-B:41
    3605 
    3606 28 atoms, 26 bonds, 2 residues, 1 model selected 
    3607 
    3608 > select /A-B:35,41
    3609 
    3610 62 atoms, 58 bonds, 4 residues, 1 model selected 
    3611 
    3612 > select /A-B:35,41
    3613 
    3614 62 atoms, 58 bonds, 4 residues, 1 model selected 
    3615 
    3616 > select clear
    3617 
    3618 > select /A-B:41
    3619 
    3620 28 atoms, 26 bonds, 2 residues, 1 model selected 
    3621 
    3622 > select /A-B:41
    3623 
    3624 28 atoms, 26 bonds, 2 residues, 1 model selected 
    3625 
    3626 > show sel atoms
    3627 
    3628 > select clear
    3629 
    3630 > select /A-B:47
    3631 
    3632 34 atoms, 32 bonds, 2 residues, 1 model selected 
    3633 
    3634 > select /A-B:47
    3635 
    3636 34 atoms, 32 bonds, 2 residues, 1 model selected 
    3637 
    3638 > show sel atoms
    3639 
    3640 > select clear
    3641 
    3642 > ui tool show Distances
    3643 
    3644 > select /B:41@CG2
    3645 
    3646 1 atom, 1 residue, 1 model selected 
    3647 
    3648 > select clear
    3649 
    3650 > hide surfaces
    3651 
    3652 > select /B:41@OG1
    3653 
    3654 1 atom, 1 residue, 1 model selected 
    3655 
    3656 > select add /B:47@NE2
    3657 
    3658 2 atoms, 2 residues, 2 models selected 
    3659 
    3660 > distance /B:41@OG1 /B:47@NE2
    3661 
    3662 Distance between /B THR 41 OG1 and GLN 47 NE2: 4.764Å 
    3663 
    3664 > select clear
    3665 
    3666 > hide #1.1 models
    3667 
    3668 > select clear
    3669 
    3670 > select /B:47@OE1
    3671 
    3672 1 atom, 1 residue, 1 model selected 
    3673 
    3674 > select add /B:41@HG1
    3675 
    3676 2 atoms, 2 residues, 2 models selected 
    3677 
    3678 > distance /B:47@OE1 /B:41@HG1
    3679 
    3680 Distance between /B GLN 47 OE1 and THR 41 HG1: 5.427Å 
    3681 
    3682 > select clear
    3683 
    3684 > select /A:41@OG1
    3685 
    3686 1 atom, 1 residue, 1 model selected 
    3687 Drag select of 1 atoms 
    3688 
    3689 > select /A:41@OG1
    3690 
    3691 1 atom, 1 residue, 1 model selected 
    3692 
    3693 > select add /A:47@NE2
    3694 
    3695 2 atoms, 2 residues, 2 models selected 
    3696 
    3697 > distance /A:41@OG1 /A:47@NE2
    3698 
    3699 Distance between /A THR 41 OG1 and GLN 47 NE2: 4.772Å 
    3700 
    3701 > select clear
    3702 
    3703 > hide #!1 models
    3704 
    3705 > select /A-B:47
    3706 
    3707 34 atoms, 32 bonds, 2 residues, 1 model selected 
    3708 
    3709 > select /A-B:47
    3710 
    3711 34 atoms, 32 bonds, 2 residues, 1 model selected 
    3712 
    3713 > select /A-B:28-33,36-41,56-60,64-68
    3714 
    3715 606 atoms, 608 bonds, 44 residues, 1 model selected 
    3716 
    3717 > select /A-B:41
    3718 
    3719 28 atoms, 26 bonds, 2 residues, 1 model selected 
    3720 
    3721 > select /A-B:41
    3722 
    3723 28 atoms, 26 bonds, 2 residues, 1 model selected 
    3724 
    3725 > hbonds sel reveal true
    3726 
    3727 9 hydrogen bonds found 
    3728 
    3729 > select add /A:48
    3730 
    3731 48 atoms, 46 bonds, 3 residues, 3 models selected 
    3732 
    3733 > show sel atoms
    3734 
    3735 > select clear
    3736 
    3737 > select /A-B:47
    3738 
    3739 34 atoms, 32 bonds, 2 residues, 1 model selected 
    3740 
    3741 > select /A-B:47
    3742 
    3743 34 atoms, 32 bonds, 2 residues, 1 model selected 
    3744 
    3745 > hbonds sel reveal true
    3746 
    3747 10 hydrogen bonds found 
    3748 
    3749 > select /A:27
    3750 
    3751 7 atoms, 6 bonds, 1 residue, 1 model selected 
    3752 
    3753 > show sel atoms
    3754 
    3755 > select clear
    3756 
    3757 > select /A-B:41
    3758 
    3759 28 atoms, 26 bonds, 2 residues, 1 model selected 
    3760 
    3761 > select /A-B:41
    3762 
    3763 28 atoms, 26 bonds, 2 residues, 1 model selected 
    3764 
    3765 > hbonds sel reveal true
    3766 
    3767 9 hydrogen bonds found 
    3768 
    3769 > select clear
    3770 
    3771 > select /A:48
    3772 
    3773 20 atoms, 20 bonds, 1 residue, 1 model selected 
    3774 
    3775 > hide sel cartoons
    3776 
    3777 > hide atoms
    3778 
    3779 > show atoms
    3780 
    3781 > select clear
    3782 
    3783 > hide atoms
    3784 
    3785 > select clear
    3786 
    3787 > ~hbonds
    3788 
    3789 > select clear
    3790 
    3791 > select /A-B:46-47
    3792 
    3793 74 atoms, 74 bonds, 4 residues, 1 model selected 
    3794 
    3795 > select /A-B:46-48
    3796 
    3797 114 atoms, 116 bonds, 6 residues, 1 model selected 
    3798 
    3799 > select /A-B:44-45
    3800 
    3801 48 atoms, 48 bonds, 4 residues, 1 model selected 
    3802 
    3803 > select /A-B:44-48
    3804 
    3805 162 atoms, 166 bonds, 10 residues, 1 model selected 
    3806 
    3807 > show sel cartoons
    3808 
    3809 > select clear
    3810 
    3811 > show surfaces
    3812 
    3813 > select clear
    3814 
    3815 > select /A-B:61-62
    3816 
    3817 70 atoms, 68 bonds, 4 residues, 1 model selected 
    3818 
    3819 > select /A-B:61-62
    3820 
    3821 70 atoms, 68 bonds, 4 residues, 1 model selected 
    3822 
    3823 > show sel atoms
    3824 
    3825 > select clear
    3826 
    3827 > select /A-B:50
    3828 
    3829 40 atoms, 40 bonds, 2 residues, 1 model selected 
    3830 
    3831 > select /A-B:50
    3832 
    3833 40 atoms, 40 bonds, 2 residues, 1 model selected 
    3834 
    3835 > show sel atoms
    3836 
    3837 > select clear
    3838 
    3839 > transparency #2 70
    3840 
    3841 > transparency #2 90
    3842 
    3843 > transparency #2 80
    3844 
    3845 > select clear
    3846 
    3847 > save
    3848 > /Users/u6290062/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/1E4-dimer-
    3849 > hydrophobic.png width 791 height 739 supersample 4 transparentBackground
    3850 > true
    3851 
    3852 > save
    3853 > /Users/u6290062/Documents/PhD/Manuscripts/01_Stb6-AvrStb6/Data/Fig_4_poses.cxs
    3854 > includeMaps true
    3855 
    3856 > close #2
    3857 
    3858 > close
    3859 
    3860 > open /Users/u6290062/Library/CloudStorage/OneDrive-
    3861 > AustralianNationalUniversity/Documents/Figures/stb6.pdb
    3862 
    3863 Chain information for stb6.pdb #1 
    3864 --- 
    3865 Chain | Description 
    3866 A | No description available 
    3867  
    3868 
    3869 > select ::name="MAN"
    3870 
    3871 11 atoms, 11 bonds, 1 residue, 1 model selected 
    3872 
    3873 > delete atoms sel
    3874 
    3875 > delete bonds sel
    3876 
    3877 > select ::name="NAG"
    3878 
    3879 56 atoms, 57 bonds, 4 residues, 1 model selected 
    3880 
    3881 > delete atoms sel
    3882 
    3883 > delete bonds sel
    3884 
    3885 > select clear
    3886 
    3887 > save /Users/u6290062/Library/CloudStorage/OneDrive-
    3888 > AustralianNationalUniversity/Documents/Figures/stb6-NG.pdb displayedOnly
    3889 > true relModel #1
    3890 
    3891 > save /Users/u6290062/Library/CloudStorage/OneDrive-
    3892 > AustralianNationalUniversity/Documents/Figures/stb6-NG.pdb displayedOnly
    3893 > true
    3894 
    3895 > close
    3896 
    3897 > open /Users/u6290062/Library/CloudStorage/OneDrive-
    3898 > AustralianNationalUniversity/Documents/BIO-
    3899 > SAXS_data/AvrStb6_dimer_refine_027.pdb format pdb
    3900 
    3901 Chain information for AvrStb6_dimer_refine_027.pdb #1 
    3902 --- 
    3903 Chain | Description 
    3904 A B | No description available 
    3905  
    3906 Computing secondary structure 
    3907 
    3908 > open /Users/u6290062/Library/CloudStorage/OneDrive-
    3909 > AustralianNationalUniversity/Documents/BIO-
    3910 > SAXS_data/AvrStb6_monomer_refine_029.pdb
    3911 
    3912 Chain information for AvrStb6_monomer_refine_029.pdb #2 
    3913 --- 
    3914 Chain | Description 
    3915 A | No description available 
    3916  
    3917 Computing secondary structure 
    3918 
    3919 > select clear
    3920 
    3921 > lighting soft
    3922 
    3923 > ui tool show Matchmaker
    3924 
    3925 > matchmaker #2 to #1
    3926 
    3927 Parameters 
    3928 --- 
    3929 Chain pairing | bb 
    3930 Alignment algorithm | Needleman-Wunsch 
    3931 Similarity matrix | BLOSUM-62 
    3932 SS fraction | 0.3 
    3933 Gap open (HH/SS/other) | 18/18/6 
    3934 Gap extend | 1 
    3935 SS matrix |  |  | H | S | O 
    3936 ---|---|---|--- 
    3937 H | 6 | -9 | -6 
    3938 S |  | 6 | -6 
    3939 O |  |  | 4 
    3940 Iteration cutoff | 2 
    3941  
    3942 Matchmaker AvrStb6_dimer_refine_027.pdb, chain A (#1) with
    3943 AvrStb6_monomer_refine_029.pdb, chain A (#2), sequence alignment score = 363.9 
    3944 RMSD between 57 pruned atom pairs is 0.767 angstroms; (across all 64 pairs:
    3945 1.655) 
    3946  
    3947 
    3948 > select clear
    3949 
    3950 > hide atoms
    3951 
    3952 > select clear
    3953 
    3954 > select #1/B
    3955 
    3956 880 atoms, 896 bonds, 66 residues, 1 model selected 
    3957 
    3958 > hide sel cartoons
    3959 
    3960 > select clear
    3961 
    3962 > select add #1/A:19
    3963 
    3964 7 atoms, 6 bonds, 1 residue, 1 model selected 
    3965 
    3966 > select add #2/A:14
    3967 
    3968 14 atoms, 12 bonds, 2 residues, 2 models selected 
    3969 Alignment identifier is 1/A 
    3970 Alignment identifier is 2/A 
    3971 
    3972 > select clear
    3973 
    3974 > select #1/A:19
    3975 
    3976 7 atoms, 6 bonds, 1 residue, 1 model selected 
    3977 
    3978 > select add #1/A:21
    3979 
    3980 18 atoms, 16 bonds, 2 residues, 1 model selected 
    3981 
    3982 > select clear
    3983 
    3984 > setattr #2:19-21 res ss_type 0
    3985 
    3986 Assigning ss_type attribute to 3 items 
    3987 
    3988 > setattr #2:19-21 res ss_type 0
    3989 
    3990 Assigning ss_type attribute to 3 items 
    3991 
    3992 > setattr #1:19-21 res ss_type 0
    3993 
    3994 Assigning ss_type attribute to 8 items 
    3995 
    3996 > setattr #2:14-16 res ss_type 0
    3997 
    3998 Assigning ss_type attribute to 4 items 
    3999 
    4000 > select clear
    4001 
    4002 > select #1/A:32
    4003 
    4004 17 atoms, 16 bonds, 1 residue, 1 model selected 
    4005 
    4006 > select #1/A:33
    4007 
    4008 12 atoms, 11 bonds, 1 residue, 1 model selected 
    4009 
    4010 > select add #1/A:36
    4011 
    4012 33 atoms, 32 bonds, 2 residues, 1 model selected 
    4013 
    4014 > select clear
    4015 
    4016 > select #1/A:37
    4017 
    4018 14 atoms, 14 bonds, 1 residue, 1 model selected 
    4019 
    4020 > select add #1/A:36
    4021 
    4022 35 atoms, 35 bonds, 2 residues, 1 model selected 
    4023 
    4024 > select add #1/A:35
    4025 
    4026 52 atoms, 51 bonds, 3 residues, 1 model selected 
    4027 
    4028 > select add #1/A:34
    4029 
    4030 59 atoms, 57 bonds, 4 residues, 1 model selected 
    4031 
    4032 > select add #1/A:33
    4033 
    4034 71 atoms, 68 bonds, 5 residues, 1 model selected 
    4035 
    4036 > select add #1/A:32
    4037 
    4038 88 atoms, 84 bonds, 6 residues, 1 model selected 
    4039 
    4040 > show sel atoms
    4041 
    4042 > select clear
    4043 
    4044 > select add #2/A:32
    4045 
    4046 14 atoms, 14 bonds, 1 residue, 1 model selected 
    4047 
    4048 > select add #2/A:31
    4049 
    4050 35 atoms, 35 bonds, 2 residues, 1 model selected 
    4051 
    4052 > select add #2/A:30
    4053 
    4054 52 atoms, 51 bonds, 3 residues, 1 model selected 
    4055 
    4056 > select add #2/A:29
    4057 
    4058 59 atoms, 57 bonds, 4 residues, 1 model selected 
    4059 
    4060 > select add #2/A:28
    4061 
    4062 71 atoms, 68 bonds, 5 residues, 1 model selected 
    4063 
    4064 > select add #2/A:27
    4065 
    4066 88 atoms, 84 bonds, 6 residues, 1 model selected 
    4067 
    4068 > show sel atoms
    4069 
    4070 > select clear
    4071 
    4072 > select #2/A:32
    4073 
    4074 14 atoms, 14 bonds, 1 residue, 1 model selected 
    4075 
    4076 > select #2/A:32
    4077 
    4078 14 atoms, 14 bonds, 1 residue, 1 model selected 
    4079 
    4080 > select #2/A:32-36
    4081 
    4082 79 atoms, 80 bonds, 5 residues, 1 model selected 
    4083 
    4084 > select #2/A:28-29
    4085 
    4086 19 atoms, 18 bonds, 2 residues, 1 model selected 
    4087 
    4088 > select #2/A:28-32
    4089 
    4090 71 atoms, 72 bonds, 5 residues, 1 model selected 
    4091 
    4092 > select #2/A:23-27,32-36,51-55,59-63
    4093 
    4094 271 atoms, 270 bonds, 20 residues, 1 model selected 
    4095 
    4096 > select #2/A:28-29
    4097 
    4098 19 atoms, 18 bonds, 2 residues, 1 model selected 
    4099 
    4100 > select #2/A:28-33
    4101 
    4102 95 atoms, 96 bonds, 6 residues, 1 model selected 
    4103 
    4104 > select clear
    4105 
    4106 > select #1/A:26
    4107 
    4108 14 atoms, 14 bonds, 1 residue, 1 model selected 
    4109 
    4110 > select #1/A:26-29
    4111 
    4112 47 atoms, 47 bonds, 4 residues, 1 model selected 
    4113 
    4114 > select add #2/A:32
    4115 
    4116 61 atoms, 61 bonds, 5 residues, 2 models selected 
    4117 
    4118 > select clear
    4119 
    4120 > select #1/A:20-21
    4121 
    4122 23 atoms, 22 bonds, 2 residues, 1 model selected 
    4123 
    4124 > select #1/A:20-26
    4125 
    4126 92 atoms, 93 bonds, 7 residues, 1 model selected 
    4127 
    4128 > select clear
    4129 
    4130 > select #1/A:26-27
    4131 
    4132 21 atoms, 21 bonds, 2 residues, 1 model selected 
    4133 
    4134 > select #1/A:26-29
    4135 
    4136 47 atoms, 47 bonds, 4 residues, 1 model selected 
    4137 
    4138 > select clear
    4139 
    4140 > select #1/A:33
    4141 
    4142 12 atoms, 11 bonds, 1 residue, 1 model selected 
    4143 
    4144 > select #1/A:26
    4145 
    4146 14 atoms, 14 bonds, 1 residue, 1 model selected 
    4147 
    4148 > select #1/A:26-33
    4149 
    4150 106 atoms, 107 bonds, 8 residues, 1 model selected 
    4151 
    4152 > select clear
    4153 
    4154 > select #1/A:33
    4155 
    4156 12 atoms, 11 bonds, 1 residue, 1 model selected 
    4157 
    4158 > select #1/A:33-37
    4159 
    4160 71 atoms, 72 bonds, 5 residues, 1 model selected 
    4161 
    4162 > select clear
    4163 
    4164 > select #1/A:38-39
    4165 
    4166 34 atoms, 33 bonds, 2 residues, 1 model selected 
    4167 
    4168 > select #1/A:38-39
    4169 
    4170 34 atoms, 33 bonds, 2 residues, 1 model selected 
    4171 
    4172 > select clear
    4173 
    4174 > select #1/A:28
    4175 
    4176 14 atoms, 13 bonds, 1 residue, 1 model selected 
    4177 
    4178 > select #1/A:28
    4179 
    4180 14 atoms, 13 bonds, 1 residue, 1 model selected 
    4181 
    4182 > select clear
    4183 
    4184 > select #1/A:32
    4185 
    4186 17 atoms, 16 bonds, 1 residue, 1 model selected 
    4187 
    4188 > select #1/A:32
    4189 
    4190 17 atoms, 16 bonds, 1 residue, 1 model selected 
    4191 
    4192 > show sel atoms
    4193 
    4194 > select clear
    4195 
    4196 > select #2/A:27
    4197 
    4198 17 atoms, 16 bonds, 1 residue, 1 model selected 
    4199 
    4200 > select #2/A:27
    4201 
    4202 17 atoms, 16 bonds, 1 residue, 1 model selected 
    4203 
    4204 > show sel atoms
    4205 
    4206 > select clear
    4207 
    4208 > select #1/A:32-33
    4209 
    4210 29 atoms, 28 bonds, 2 residues, 1 model selected 
    4211 
    4212 > select #1/A:32-37
    4213 
    4214 88 atoms, 89 bonds, 6 residues, 1 model selected 
    4215 
    4216 > hide sel cartoons
    4217 
    4218 > select clear
    4219 
    4220 > select #2/A:27-28
    4221 
    4222 29 atoms, 28 bonds, 2 residues, 1 model selected 
    4223 
    4224 > select #2/A:27-32
    4225 
    4226 88 atoms, 89 bonds, 6 residues, 1 model selected 
    4227 
    4228 > hide sel cartoons
    4229 
    4230 > select clear
    4231 
    4232 > select #1/A:37
    4233 
    4234 14 atoms, 14 bonds, 1 residue, 1 model selected 
    4235 
    4236 > select #1/A:37
    4237 
    4238 14 atoms, 14 bonds, 1 residue, 1 model selected 
    4239 
    4240 > select #2/A:33
    4241 
    4242 24 atoms, 23 bonds, 1 residue, 1 model selected 
    4243 
    4244 > show sel atoms
    4245 
    4246 > select add #1/A:38
    4247 
    4248 48 atoms, 46 bonds, 2 residues, 2 models selected 
    4249 
    4250 > show sel atoms
    4251 
    4252 > hide sel cartoons
    4253 
    4254 > select clear
    4255 
    4256 > show cartoons
    4257 
    4258 > hide atoms
    4259 
    4260 > select clear
    4261 
    4262 > select #1/B
    4263 
    4264 880 atoms, 896 bonds, 66 residues, 1 model selected 
    4265 
    4266 > hide sel cartoons
    4267 
    4268 > select clear
    4269 
    4270 > select ::name="CYS"
    4271 
    4272 360 atoms, 339 bonds, 36 residues, 2 models selected 
    4273 
    4274 > show sel atoms
    4275 
    4276 > select clear
    4277 
    4278 > select #1/B
    4279 
    4280 880 atoms, 896 bonds, 66 residues, 1 model selected 
    4281 
    4282 > hide sel cartoons
    4283 
    4284 > hide sel atoms
    4285 
    4286 > select clear
    4287 
    4288 > select add #1/A:38
    4289 
    4290 24 atoms, 23 bonds, 1 residue, 1 model selected 
    4291 
    4292 > select add #1/A:37
    4293 
    4294 38 atoms, 37 bonds, 2 residues, 1 model selected 
    4295 
    4296 > select #1/A:33
    4297 
    4298 12 atoms, 11 bonds, 1 residue, 1 model selected 
    4299 
    4300 > select #1/A:33-42
    4301 
    4302 146 atoms, 148 bonds, 10 residues, 1 model selected 
    4303 
    4304 > show sel atoms
    4305 
    4306 > select clear
    4307 
    4308 > select #2/A:28
    4309 
    4310 12 atoms, 11 bonds, 1 residue, 1 model selected 
    4311 
    4312 > select #2/A:28-37
    4313 
    4314 146 atoms, 148 bonds, 10 residues, 1 model selected 
    4315 
    4316 > show sel atoms
    4317 
    4318 > select clear
    4319 
    4320 > select #1/A:31
    4321 
    4322 20 atoms, 20 bonds, 1 residue, 1 model selected 
    4323 
    4324 > select #1/A:31-32
    4325 
    4326 37 atoms, 37 bonds, 2 residues, 1 model selected 
    4327 
    4328 > show sel atoms
    4329 
    4330 > select #2/A:26-27
    4331 
    4332 37 atoms, 37 bonds, 2 residues, 1 model selected 
    4333 
    4334 > select #2/A:26-27
    4335 
    4336 37 atoms, 37 bonds, 2 residues, 1 model selected 
    4337 
    4338 > show sel atoms
    4339 
    4340 > select clear
    4341 
    4342 > hide atoms
    4343 
    4344 > close #1
    4345 
    4346 > close
    4347 
    4348 > open
    4349 > /Users/u6290062/Downloads/ZmWAKLYecto_58d61_0/ZmWAKLYecto_58d61_0_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb
    4350 
    4351 Chain information for
    4352 ZmWAKLYecto_58d61_0_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #1 
    4353 --- 
    4354 Chain | Description 
    4355 A | No description available 
    4356  
    4357 Computing secondary structure 
    4358 
    4359 > lighting soft
    4360 
    4361 > open /Users/u6290062/Library/CloudStorage/OneDrive-
    4362 > AustralianNationalUniversity/Documents/Figures/stb6.pdb
    4363 
    4364 Chain information for stb6.pdb #2 
    4365 --- 
    4366 Chain | Description 
    4367 A | No description available 
    4368  
    4369 
    4370 > close #2
    4371 
    4372 > open /Users/u6290062/Library/CloudStorage/OneDrive-
    4373 > AustralianNationalUniversity/Documents/Figures/stb6-NG.pdb
    4374 
    4375 Summary of feedback from opening
    4376 /Users/u6290062/Library/CloudStorage/OneDrive-
    4377 AustralianNationalUniversity/Documents/Figures/stb6-NG.pdb 
    4378 --- 
    4379 warnings | Start residue of secondary structure not found: HELIX 1 1 LEU A 80 LEU A 85 1 6 
    4380 End residue of secondary structure not found: HELIX 2 2 GLU A 126 LEU A 134 1
    4381 
    4382 Start residue of secondary structure not found: SHEET 1 1 1 PHE A 22 LEU A 24
    4383 
    4384 Start residue of secondary structure not found: SHEET 2 2 1 PHE A 41 LEU A 43
    4385 
    4386 Start residue of secondary structure not found: SHEET 3 3 1 THR A 44 TYR A 46
    4387 
    4388 Start residue of secondary structure not found: SHEET 4 4 1 TYR A 50 LEU A 53
    4389 
    4390 Start residue of secondary structure not found: SHEET 5 5 1 PHE A 63 SER A 69
    4391 
    4392 5 messages similar to the above omitted 
    4393 Cannot find LINK/SSBOND residue CYS (9 ) 
    4394 Cannot find LINK/SSBOND residue CYS (13 ) 
    4395 Cannot find LINK/SSBOND residue CYS (96 ) 
    4396 Cannot find LINK/SSBOND residue CYS (124 ) 
    4397  
    4398 Chain information for stb6-NG.pdb #2 
    4399 --- 
    4400 Chain | Description 
    4401 A | No description available 
    4402  
    4403 Computing secondary structure 
    4404 
    4405 > close #2
    4406 
    4407 > open /Users/u6290062/Library/CloudStorage/OneDrive-
    4408 > AustralianNationalUniversity/Documents/Figures/stb6.pdb
    4409 
    4410 Chain information for stb6.pdb #2 
    4411 --- 
    4412 Chain | Description 
    4413 A | No description available 
    4414  
    4415 
    4416 > select clear
    4417 
    4418 > hide cartoons
    4419 
    4420 > show cartoons
    4421 
    4422 > hide atoms
    4423 
    4424 > select clear
    4425 
    4426 > ui tool show Matchmaker
    4427 
    4428 > matchmaker #2 to #1
    4429 
    4430 Parameters 
    4431 --- 
    4432 Chain pairing | bb 
    4433 Alignment algorithm | Needleman-Wunsch 
    4434 Similarity matrix | BLOSUM-62 
    4435 SS fraction | 0.3 
    4436 Gap open (HH/SS/other) | 18/18/6 
    4437 Gap extend | 1 
    4438 SS matrix |  |  | H | S | O 
    4439 ---|---|---|--- 
    4440 H | 6 | -9 | -6 
    4441 S |  | 6 | -6 
    4442 O |  |  | 4 
    4443 Iteration cutoff | 2 
    4444  
    4445 Matchmaker
    4446 ZmWAKLYecto_58d61_0_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb,
    4447 chain A (#1) with stb6.pdb, chain A (#2), sequence alignment score = 193.8 
    4448 RMSD between 50 pruned atom pairs is 1.179 angstroms; (across all 172 pairs:
    4449 6.786) 
    4450  
    4451 
    4452 > select add #1/A:35
    4453 
    4454 9 atoms, 8 bonds, 1 residue, 1 model selected 
    4455 
    4456 > select add #1/A:36
    4457 
    4458 15 atoms, 13 bonds, 2 residues, 1 model selected 
    4459 
    4460 > select add #1/A:37
    4461 
    4462 27 atoms, 25 bonds, 3 residues, 1 model selected 
    4463 
    4464 > setattr #1:35-36 res ss_type 0
    4465 
    4466 Assigning ss_type attribute to 2 items 
    4467 
    4468 > select clear
    4469 
    4470 Alignment identifier is 1/A 
    4471 Alignment identifier is 2/A 
    4472 
    4473 > select #2/A:43
    4474 
    4475 8 atoms, 7 bonds, 1 residue, 1 model selected 
    4476 
    4477 > select add #2/A:42
    4478 
    4479 17 atoms, 15 bonds, 2 residues, 1 model selected 
    4480 
    4481 > select add #2/A:41
    4482 
    4483 28 atoms, 26 bonds, 3 residues, 1 model selected 
    4484 
    4485 > select clear
    4486 
    4487 > select #1/A:37-38
    4488 
    4489 21 atoms, 21 bonds, 2 residues, 1 model selected 
    4490 
    4491 > select #1/A:37-39
    4492 
    4493 29 atoms, 29 bonds, 3 residues, 1 model selected 
    4494 
    4495 > setattr #1:37-39 res ss_type 2
    4496 
    4497 Assigning ss_type attribute to 3 items 
    4498 
    4499 > select #1/A:36
    4500 
    4501 6 atoms, 5 bonds, 1 residue, 1 model selected 
    4502 
    4503 > select #1/A:36
    4504 
    4505 6 atoms, 5 bonds, 1 residue, 1 model selected 
    4506 
    4507 > setattr #1:36-39 res ss_type 2
    4508 
    4509 Assigning ss_type attribute to 4 items 
    4510 
    4511 > select clear
    4512 
    4513 > setattr #1:36-39 res ss_type 2
    4514 
    4515 Assigning ss_type attribute to 4 items 
    4516 
    4517 > setattr #1:35-39 res ss_type 2
    4518 
    4519 Assigning ss_type attribute to 5 items 
    4520 
    4521 > select add #1/A:23
    4522 
    4523 11 atoms, 11 bonds, 1 residue, 1 model selected 
    4524 
    4525 > select add #1/A:26
    4526 
    4527 20 atoms, 19 bonds, 2 residues, 1 model selected 
    4528 
    4529 > select clear
    4530 
    4531 > setattr #1:23-26 res ss_type 2
    4532 
    4533 Assigning ss_type attribute to 4 items 
    4534 
    4535 > select #1/A:3
    4536 
    4537 10 atoms, 10 bonds, 1 residue, 1 model selected 
    4538 
    4539 > select #1/A:1-3
    4540 
    4541 31 atoms, 32 bonds, 3 residues, 1 model selected 
    4542 
    4543 > hide sel cartoons
    4544 
    4545 > select clear
    4546 
    4547 > select ::name="CYS"
    4548 
    4549 96 atoms, 84 bonds, 16 residues, 2 models selected 
    4550 
    4551 > show sel atoms
    4552 
    4553 > select clear
    4554 
    4555 > bond sel
    4556 
    4557 Must specify two or more atoms 
    4558 
    4559 > select clear
    4560 
    4561 > select add #1/A:7@SG
    4562 
    4563 1 atom, 1 residue, 1 model selected 
    4564 
    4565 > select add #1/A:32@SG
    4566 
    4567 2 atoms, 1 bond, 2 residues, 1 model selected 
    4568 
    4569 > bond sel
    4570 
    4571 Created 1 bond 
    4572 
    4573 > select clear
    4574 
    4575 > select add #1/A:13@SG
    4576 
    4577 1 atom, 1 residue, 1 model selected 
    4578 
    4579 > select add #1/A:41@SG
    4580 
    4581 2 atoms, 2 residues, 1 model selected 
    4582 
    4583 > bond sel
    4584 
    4585 Created 1 bond 
    4586 
    4587 > select clear
    4588 
    4589 > select add #1/A:120@SG
    4590 
    4591 1 atom, 1 residue, 1 model selected 
    4592 
    4593 > select add #1/A:162@SG
    4594 
    4595 2 atoms, 2 residues, 1 model selected 
    4596 
    4597 > bond sel
    4598 
    4599 Created 1 bond 
    4600 
    4601 > select add #1/A:80@SG
    4602 
    4603 3 atoms, 3 residues, 1 model selected 
    4604 
    4605 > select add #1/A:135@SG
    4606 
    4607 4 atoms, 4 residues, 1 model selected 
    4608 
    4609 > bond sel
    4610 
    4611 Created 1 bond 
    4612 
    4613 > select clear
    4614 
    4615 > hide #2 models
    4616 
    4617 > select #1/A:206
    4618 
    4619 4 atoms, 3 bonds, 1 residue, 1 model selected 
    4620 
    4621 > select add #1/A:205
    4622 
    4623 15 atoms, 13 bonds, 2 residues, 1 model selected 
    4624 
    4625 > select add #1/A:204
    4626 
    4627 23 atoms, 20 bonds, 3 residues, 1 model selected 
    4628 
    4629 > hide sel cartoons
    4630 
    4631 > select clear
    4632 
    4633 > select add #1/A:203
    4634 
    4635 4 atoms, 3 bonds, 1 residue, 1 model selected 
    4636 
    4637 > select add #1/A:172
    4638 
    4639 8 atoms, 6 bonds, 2 residues, 1 model selected 
    4640 
    4641 > select #1/A:172
    4642 
    4643 4 atoms, 3 bonds, 1 residue, 1 model selected 
    4644 
    4645 > select #1/A:172-202
    4646 
    4647 235 atoms, 242 bonds, 31 residues, 1 model selected 
    4648 
    4649 > select #1/A:205
    4650 
    4651 11 atoms, 10 bonds, 1 residue, 1 model selected 
    4652 
    4653 > select #1/A:205-206
    4654 
    4655 15 atoms, 14 bonds, 2 residues, 1 model selected 
    4656 
    4657 > hide sel cartoons
    4658 
    4659 > select
    4660 > #1/A:23-26,35-41,46-50,53-61,66-71,113-120,130-132,141-148,162-170,194-197
    4661 
    4662 535 atoms, 543 bonds, 63 residues, 1 model selected 
    4663 
    4664 > select #1/A:205
    4665 
    4666 11 atoms, 10 bonds, 1 residue, 1 model selected 
    4667 
    4668 > select #1/A:205-206
    4669 
    4670 15 atoms, 14 bonds, 2 residues, 1 model selected 
    4671 
    4672 > select clear
    4673 
    4674 > select add #1/A:203
    4675 
    4676 4 atoms, 3 bonds, 1 residue, 1 model selected 
    4677 
    4678 > select add #1/A:202
    4679 
    4680 12 atoms, 10 bonds, 2 residues, 1 model selected 
    4681 
    4682 > select #1/A:185-186
    4683 
    4684 15 atoms, 14 bonds, 2 residues, 1 model selected 
    4685 
    4686 > select #1/A:185-206
    4687 
    4688 169 atoms, 171 bonds, 22 residues, 1 model selected 
    4689 
    4690 > select add #1/A:171
    4691 
    4692 173 atoms, 174 bonds, 23 residues, 1 model selected 
    4693 
    4694 > select subtract #1/A:171
    4695 
    4696 169 atoms, 171 bonds, 22 residues, 1 model selected 
    4697 
    4698 > select add #1/A:172
    4699 
    4700 173 atoms, 174 bonds, 23 residues, 1 model selected 
    4701 
    4702 > select #1/A:173-174
    4703 
    4704 11 atoms, 11 bonds, 2 residues, 1 model selected 
    4705 
    4706 > select #1/A:173-186
    4707 
    4708 104 atoms, 108 bonds, 14 residues, 1 model selected 
    4709 
    4710 > select #1/A:172-173
    4711 
    4712 11 atoms, 11 bonds, 2 residues, 1 model selected 
    4713 
    4714 > select #1/A:172-206
    4715 
    4716 262 atoms, 269 bonds, 35 residues, 1 model selected 
    4717 
    4718 > color sel forest green target c
    4719 
    4720 > select clear
    4721 
    4722 > select #1/A:154
    4723 
    4724 8 atoms, 7 bonds, 1 residue, 1 model selected 
    4725 
    4726 > select add #1/A:155
    4727 
    4728 13 atoms, 11 bonds, 2 residues, 1 model selected 
    4729 
    4730 > select add #1/A:156
    4731 
    4732 22 atoms, 19 bonds, 3 residues, 1 model selected 
    4733 
    4734 > setattr #1:154-156 res ss_type 0
    4735 
    4736 Assigning ss_type attribute to 3 items 
    4737 
    4738 > select clear
    4739 
    4740 > select add #1/A:71
    4741 
    4742 8 atoms, 7 bonds, 1 residue, 1 model selected 
    4743 
    4744 > select #1/A:1-2
    4745 
    4746 21 atoms, 21 bonds, 2 residues, 1 model selected 
    4747 
    4748 > select #1/A:1-71
    4749 
    4750 560 atoms, 581 bonds, 71 residues, 1 model selected 
    4751 
    4752 > color sel dark sea green target ac
    4753 
    4754 > color sel light green target ac
    4755 
    4756 > color sel dark sea green target ac
    4757 
    4758 > select clear
    4759 
    4760 > select add #1/A:113
    4761 
    4762 8 atoms, 7 bonds, 1 residue, 1 model selected 
    4763 
    4764 > select add #1/A:110
    4765 
    4766 15 atoms, 14 bonds, 2 residues, 1 model selected 
    4767 
    4768 > select add #1/A:112
    4769 
    4770 21 atoms, 19 bonds, 3 residues, 1 model selected 
    4771 
    4772 > select add #1/A:111
    4773 
    4774 29 atoms, 26 bonds, 4 residues, 1 model selected 
    4775 
    4776 > select subtract #1/A:113
    4777 
    4778 21 atoms, 19 bonds, 3 residues, 1 model selected 
    4779 
    4780 > select #1/A:72-73
    4781 
    4782 13 atoms, 12 bonds, 2 residues, 1 model selected 
    4783 
    4784 > select #1/A:73-112
    4785 
    4786 343 atoms, 357 bonds, 40 residues, 1 model selected 
    4787 
    4788 > color sel light gray target ac
    4789 
    4790 > select clear
    4791 
    4792 > select add #1/A:72
    4793 
    4794 5 atoms, 4 bonds, 1 residue, 1 model selected 
    4795 
    4796 > color sel light gray target ac
    4797 
    4798 > select clear
    4799 
    4800 > select add #1/A:171
    4801 
    4802 4 atoms, 3 bonds, 1 residue, 1 model selected 
    4803 
    4804 > select #1/A:113
    4805 
    4806 8 atoms, 7 bonds, 1 residue, 1 model selected 
    4807 
    4808 > select #1/A:113-171
    4809 
    4810 465 atoms, 479 bonds, 59 residues, 1 model selected 
    4811 
    4812 > color sel burly wood target ac
    4813 
    4814 > color sel wheat target ac
    4815 
    4816 > color sel goldenrod target ac
    4817 
    4818 > color sel dark khaki target ac
    4819 
    4820 > select clear
    4821 
    4822 > select add #1/A:122
    4823 
    4824 9 atoms, 8 bonds, 1 residue, 1 model selected 
    4825 
    4826 > select add #1/A:123
    4827 
    4828 16 atoms, 15 bonds, 2 residues, 1 model selected 
    4829 
    4830 > select add #1/A:124
    4831 
    4832 24 atoms, 22 bonds, 3 residues, 1 model selected 
    4833 
    4834 > select add #1/A:125
    4835 
    4836 33 atoms, 30 bonds, 4 residues, 1 model selected 
    4837 
    4838 > select add #1/A:126
    4839 
    4840 41 atoms, 37 bonds, 5 residues, 1 model selected 
    4841 
    4842 > select add #1/A:127
    4843 
    4844 49 atoms, 44 bonds, 6 residues, 1 model selected 
    4845 
    4846 > select add #1/A:121
    4847 
    4848 55 atoms, 49 bonds, 7 residues, 1 model selected 
    4849 
    4850 > setattr #1:121-127 res ss_type 1
    4851 
    4852 Assigning ss_type attribute to 7 items 
    4853 
    4854 > select clear
    4855 
    4856 > setattr #1:121-127 res ss_type 0
    4857 
    4858 Assigning ss_type attribute to 7 items 
    4859 
    4860 > select ::name="CYS"
    4861 
    4862 96 atoms, 88 bonds, 16 residues, 2 models selected 
    4863 
    4864 > color (#1 & sel) byhetero
    4865 
    4866 > select clear
    4867 
    4868 > select #1/A:4-5
    4869 
    4870 20 atoms, 21 bonds, 2 residues, 1 model selected 
    4871 
    4872 > select #1/A:4-5
    4873 
    4874 20 atoms, 21 bonds, 2 residues, 1 model selected 
    4875 
    4876 > select #1/A:5
    4877 
    4878 10 atoms, 10 bonds, 1 residue, 1 model selected 
    4879 
    4880 > select #1/A:5-6
    4881 
    4882 17 atoms, 17 bonds, 2 residues, 1 model selected 
    4883 
    4884 > select #1/A:4
    4885 
    4886 10 atoms, 10 bonds, 1 residue, 1 model selected 
    4887 
    4888 > select #1/A:4-6
    4889 
    4890 27 atoms, 28 bonds, 3 residues, 1 model selected 
    4891 
    4892 > select #1/A:5
    4893 
    4894 10 atoms, 10 bonds, 1 residue, 1 model selected 
    4895 
    4896 > select #1/A:4-5
    4897 
    4898 20 atoms, 21 bonds, 2 residues, 1 model selected 
    4899 
    4900 > hide sel cartoons
    4901 
    4902 > select clear
    4903 
    4904 > lighting soft
    4905 
    4906 > select ::name="ASN"
    4907 
    4908 168 atoms, 149 bonds, 21 residues, 2 models selected 
    4909 
    4910 > select clear
    4911 
    4912 > select add #1/A:138
    4913 
    4914 8 atoms, 7 bonds, 1 residue, 1 model selected 
    4915 
    4916 > select add #1/A:119
    4917 
    4918 16 atoms, 14 bonds, 2 residues, 1 model selected 
    4919 
    4920 > select add #1/A:95
    4921 
    4922 24 atoms, 21 bonds, 3 residues, 1 model selected 
    4923 
    4924 > show sel atoms
    4925 
    4926 > color sel byhetero
    4927 
    4928 > select clear
    4929 
    4930 > select #1/A:72
    4931 
    4932 5 atoms, 4 bonds, 1 residue, 1 model selected 
    4933 
    4934 > select add #1/A:111
    4935 
    4936 13 atoms, 11 bonds, 2 residues, 1 model selected 
    4937 
    4938 > select add #1/A:112
    4939 
    4940 19 atoms, 16 bonds, 3 residues, 1 model selected 
    4941 
    4942 > select #1/A:72-73
    4943 
    4944 13 atoms, 12 bonds, 2 residues, 1 model selected 
    4945 
    4946 > select #1/A:73-113
    4947 
    4948 351 atoms, 365 bonds, 41 residues, 1 model selected 
    4949 
    4950 > select #1/A:112
    4951 
    4952 6 atoms, 5 bonds, 1 residue, 1 model selected 
    4953 
    4954 > select #1/A:111-112
    4955 
    4956 14 atoms, 13 bonds, 2 residues, 1 model selected 
    4957 
    4958 > select #1/A:72
    4959 
    4960 5 atoms, 4 bonds, 1 residue, 1 model selected 
    4961 
    4962 > select #1/A:72-112
    4963 
    4964 348 atoms, 362 bonds, 41 residues, 1 model selected 
    4965 
    4966 > color sel honeydew target ac
    4967 
    4968 > color sel white smoke target ac
    4969 
    4970 > select clear
    4971 
    4972 > select #1/A:72
    4973 
    4974 5 atoms, 4 bonds, 1 residue, 1 model selected 
    4975 
    4976 > select #1/A:72-112
    4977 
    4978 348 atoms, 362 bonds, 41 residues, 1 model selected 
    4979 
    4980 > color sel light gray target ac
    4981 
    4982 > select clear
    4983 
    4984 > select ::name="ASN"
    4985 
    4986 168 atoms, 149 bonds, 21 residues, 2 models selected 
    4987 
    4988 > color (#1 & sel) byhetero
    4989 
    4990 > select clear
    4991 
    4992 > select add #1/A:80
    4993 
    4994 6 atoms, 5 bonds, 1 residue, 1 model selected 
    4995 
    4996 > color sel byhetero
    4997 
    4998 > select clear
    4999 
    5000 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    5001 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/ZmWAKL-Y.png"
    5002 > width 900 height 739 supersample 4 transparentBackground true
    5003 
    5004 > select clear
    5005 
    5006 > hide #1 models
    5007 
    5008 > open
    5009 > /Users/u6290062/Downloads/ZmWAK_b7dcf/ZmWAK_b7dcf_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb
    5010 
    5011 Chain information for
    5012 ZmWAK_b7dcf_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb #3 
    5013 --- 
    5014 Chain | Description 
    5015 A | No description available 
    5016  
    5017 Computing secondary structure 
    5018 
    5019 > select clear
    5020 
    5021 > ui tool show Matchmaker
    5022 
    5023 > matchmaker #2 to #3
    5024 
    5025 Parameters 
    5026 --- 
    5027 Chain pairing | bb 
    5028 Alignment algorithm | Needleman-Wunsch 
    5029 Similarity matrix | BLOSUM-62 
    5030 SS fraction | 0.3 
    5031 Gap open (HH/SS/other) | 18/18/6 
    5032 Gap extend | 1 
    5033 SS matrix |  |  | H | S | O 
    5034 ---|---|---|--- 
    5035 H | 6 | -9 | -6 
    5036 S |  | 6 | -6 
    5037 O |  |  | 4 
    5038 Iteration cutoff | 2 
    5039  
    5040 Matchmaker ZmWAK_b7dcf_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb,
    5041 chain A (#3) with stb6.pdb, chain A (#2), sequence alignment score = 106.7 
    5042 RMSD between 44 pruned atom pairs is 1.034 angstroms; (across all 159 pairs:
    5043 16.006) 
    5044  
    5045 
    5046 > show #2 models
    5047 
    5048 Alignment identifier is 1/A 
    5049 Destroying pre-existing alignment with identifier 2/A 
    5050 Alignment identifier is 2/A 
    5051 Alignment identifier is 3/A 
    5052 
    5053 > select #2/A:41
    5054 
    5055 11 atoms, 11 bonds, 1 residue, 1 model selected 
    5056 
    5057 > select #2/A:41-46
    5058 
    5059 53 atoms, 54 bonds, 6 residues, 1 model selected 
    5060 
    5061 > select clear
    5062 
    5063 Drag select of 3 residues 
    5064 
    5065 > select clear
    5066 
    5067 > select add #3/A:19
    5068 
    5069 11 atoms, 11 bonds, 1 residue, 1 model selected 
    5070 
    5071 > select add #3/A:21
    5072 
    5073 18 atoms, 17 bonds, 2 residues, 1 model selected 
    5074 
    5075 > select #3/A:19
    5076 
    5077 11 atoms, 11 bonds, 1 residue, 1 model selected 
    5078 
    5079 > select #3/A:19-21
    5080 
    5081 22 atoms, 22 bonds, 3 residues, 1 model selected 
    5082 
    5083 > setattr #3:19-21 res ss_type 2
    5084 
    5085 Assigning ss_type attribute to 3 items 
    5086 
    5087 > select clear
    5088 
    5089 > select add #3/A:29
    5090 
    5091 4 atoms, 3 bonds, 1 residue, 1 model selected 
    5092 
    5093 > select add #2/A:41
    5094 
    5095 15 atoms, 14 bonds, 2 residues, 2 models selected 
    5096 
    5097 > select subtract #2/A:41
    5098 
    5099 4 atoms, 3 bonds, 1 residue, 1 model selected 
    5100 
    5101 > select add #3/A:30
    5102 
    5103 15 atoms, 14 bonds, 2 residues, 1 model selected 
    5104 
    5105 > select add #3/A:31
    5106 
    5107 26 atoms, 24 bonds, 3 residues, 1 model selected 
    5108 
    5109 > select add #3/A:28
    5110 
    5111 35 atoms, 32 bonds, 4 residues, 1 model selected 
    5112 
    5113 > setattr #3:28-31 res ss_type 2
    5114 
    5115 Assigning ss_type attribute to 4 items 
    5116 
    5117 > setattr #3:28-30 res ss_type 2
    5118 
    5119 Assigning ss_type attribute to 3 items 
    5120 
    5121 > setattr #3:28-30 res ss_type 0
    5122 
    5123 Assigning ss_type attribute to 3 items 
    5124 
    5125 > setattr #3:28-30 res ss_type 2
    5126 
    5127 Assigning ss_type attribute to 3 items 
    5128 
    5129 > select clear
    5130 
    5131 > hide #2 models
    5132 
    5133 > select clear
    5134 
    5135 > select ::name="CYS"
    5136 
    5137 240 atoms, 209 bonds, 40 residues, 3 models selected 
    5138 
    5139 > color (#3 & sel) byhetero
    5140 
    5141 > show sel & #3 atoms
    5142 
    5143 > select clear
    5144 
    5145 > select add #3/A:5
    5146 
    5147 4 atoms, 3 bonds, 1 residue, 1 model selected 
    5148 
    5149 > select #3/A:1
    5150 
    5151 5 atoms, 4 bonds, 1 residue, 1 model selected 
    5152 
    5153 > select #3/A:1-4
    5154 
    5155 25 atoms, 25 bonds, 4 residues, 1 model selected 
    5156 
    5157 > hide sel cartoons
    5158 
    5159 > select clear
    5160 
    5161 > select add #3/A:6@SG
    5162 
    5163 1 atom, 1 residue, 1 model selected 
    5164 
    5165 > select add #3/A:25@SG
    5166 
    5167 2 atoms, 2 residues, 1 model selected 
    5168 
    5169 > bond sel
    5170 
    5171 Created 1 bond 
    5172 
    5173 > select clear
    5174 
    5175 > select add #3/A:10@SG
    5176 
    5177 1 atom, 1 residue, 1 model selected 
    5178 
    5179 > select add #3/A:34@SG
    5180 
    5181 2 atoms, 2 residues, 1 model selected 
    5182 
    5183 > bond sel
    5184 
    5185 Created 1 bond 
    5186 
    5187 > select add #3/A:324@SG
    5188 
    5189 3 atoms, 3 residues, 1 model selected 
    5190 
    5191 > select add #3/A:333@SG
    5192 
    5193 4 atoms, 4 residues, 1 model selected 
    5194 
    5195 > bond sel
    5196 
    5197 Created 1 bond 
    5198 
    5199 > select add #3/A:322@SG
    5200 
    5201 5 atoms, 5 residues, 1 model selected 
    5202 
    5203 > select add #3/A:307@SG
    5204 
    5205 6 atoms, 6 residues, 1 model selected 
    5206 
    5207 > bond sel
    5208 
    5209 Created 1 bond 
    5210 
    5211 > select add #3/A:313@SG
    5212 
    5213 7 atoms, 7 residues, 1 model selected 
    5214 
    5215 > select add #3/A:299@SG
    5216 
    5217 8 atoms, 8 residues, 1 model selected 
    5218 
    5219 > bond sel
    5220 
    5221 Created 1 bond 
    5222 
    5223 > select add #3/A:293@SG
    5224 
    5225 9 atoms, 9 residues, 1 model selected 
    5226 
    5227 > select add #3/A:277@SG
    5228 
    5229 10 atoms, 10 residues, 1 model selected 
    5230 
    5231 > bond sel
    5232 
    5233 Created 1 bond 
    5234 
    5235 > select add #3/A:257@SG
    5236 
    5237 11 atoms, 11 residues, 1 model selected 
    5238 
    5239 > select add #3/A:275@SG
    5240 
    5241 12 atoms, 12 residues, 1 model selected 
    5242 
    5243 > bond sel
    5244 
    5245 Created 1 bond 
    5246 
    5247 > select add #3/A:264@SG
    5248 
    5249 13 atoms, 13 residues, 1 model selected 
    5250 
    5251 > select add #3/A:246@SG
    5252 
    5253 14 atoms, 14 residues, 1 model selected 
    5254 
    5255 > bond sel
    5256 
    5257 Created 1 bond 
    5258 
    5259 > select add #3/A:189@SG
    5260 
    5261 15 atoms, 15 residues, 1 model selected 
    5262 
    5263 > select add #3/A:115@SG
    5264 
    5265 16 atoms, 16 residues, 1 model selected 
    5266 
    5267 > bond sel
    5268 
    5269 Created 1 bond 
    5270 
    5271 > select add #3/A:156@SG
    5272 
    5273 17 atoms, 17 residues, 1 model selected 
    5274 
    5275 > select add #3/A:161@SG
    5276 
    5277 18 atoms, 18 residues, 1 model selected 
    5278 
    5279 > bond sel
    5280 
    5281 Created 1 bond 
    5282 
    5283 > select add #3/A:162@SG
    5284 
    5285 19 atoms, 19 residues, 1 model selected 
    5286 
    5287 > select add #3/A:141@SG
    5288 
    5289 20 atoms, 20 residues, 1 model selected 
    5290 
    5291 > bond sel
    5292 
    5293 Created 1 bond 
    5294 
    5295 > select clear
    5296 
    5297 > select add #3/A:78@SG
    5298 
    5299 1 atom, 1 residue, 1 model selected 
    5300 
    5301 > select add #3/A:191@SG
    5302 
    5303 2 atoms, 2 residues, 1 model selected 
    5304 
    5305 > bond sel
    5306 
    5307 Created 1 bond 
    5308 
    5309 > select clear
    5310 
    5311 > select add #3/A:251
    5312 
    5313 8 atoms, 7 bonds, 1 residue, 1 model selected 
    5314 
    5315 > select add #3/A:250
    5316 
    5317 15 atoms, 14 bonds, 2 residues, 1 model selected 
    5318 
    5319 > select add #3/A:249
    5320 
    5321 20 atoms, 18 bonds, 3 residues, 1 model selected 
    5322 
    5323 > setattr #3/A:249-251 res ss_type 2
    5324 
    5325 Assigning ss_type attribute to 3 items 
    5326 
    5327 > setattr #3/A:249-251 res ss_type 0
    5328 
    5329 Assigning ss_type attribute to 3 items 
    5330 
    5331 > select clear
    5332 
    5333 > select add #3/A:300
    5334 
    5335 9 atoms, 8 bonds, 1 residue, 1 model selected 
    5336 
    5337 > select add #3/A:299
    5338 
    5339 15 atoms, 13 bonds, 2 residues, 1 model selected 
    5340 
    5341 > select add #3/A:298
    5342 
    5343 24 atoms, 21 bonds, 3 residues, 1 model selected 
    5344 
    5345 > setattr #3/A:298-300 res ss_type 0
    5346 
    5347 Assigning ss_type attribute to 3 items 
    5348 
    5349 > select clear
    5350 
    5351 > select add #3/A:209
    5352 
    5353 8 atoms, 7 bonds, 1 residue, 1 model selected 
    5354 
    5355 > select add #3/A:208
    5356 
    5357 16 atoms, 14 bonds, 2 residues, 1 model selected 
    5358 
    5359 > select add #3/A:207
    5360 
    5361 22 atoms, 19 bonds, 3 residues, 1 model selected 
    5362 
    5363 > select add #3/A:206
    5364 
    5365 27 atoms, 23 bonds, 4 residues, 1 model selected 
    5366 
    5367 > setattr #3/A:206-209 res ss_type 0
    5368 
    5369 Assigning ss_type attribute to 4 items 
    5370 
    5371 > select clear
    5372 
    5373 > select add #3/A:302
    5374 
    5375 7 atoms, 7 bonds, 1 residue, 1 model selected 
    5376 
    5377 > select add #3/A:303
    5378 
    5379 16 atoms, 15 bonds, 2 residues, 1 model selected 
    5380 
    5381 > select add #3/A:304
    5382 
    5383 22 atoms, 20 bonds, 3 residues, 1 model selected 
    5384 
    5385 > setattr #3/A:302-304 res ss_type 0
    5386 
    5387 Assigning ss_type attribute to 3 items 
    5388 
    5389 > select clear
    5390 
    5391 > select add #3/A:219
    5392 
    5393 7 atoms, 7 bonds, 1 residue, 1 model selected 
    5394 
    5395 > select add #3/A:220
    5396 
    5397 15 atoms, 14 bonds, 2 residues, 1 model selected 
    5398 
    5399 > select add #3/A:221
    5400 
    5401 23 atoms, 21 bonds, 3 residues, 1 model selected 
    5402 
    5403 > setattr #3/A:219-221 res ss_type 0
    5404 
    5405 Assigning ss_type attribute to 3 items 
    5406 
    5407 > select clear
    5408 
    5409 > select add #3/A:214
    5410 
    5411 7 atoms, 7 bonds, 1 residue, 1 model selected 
    5412 
    5413 > select add #3/A:204
    5414 
    5415 18 atoms, 18 bonds, 2 residues, 1 model selected 
    5416 
    5417 > setattr #3/A:204-214 res ss_type 1
    5418 
    5419 Assigning ss_type attribute to 11 items 
    5420 
    5421 > select clear
    5422 
    5423 > select add #3/A:204
    5424 
    5425 11 atoms, 11 bonds, 1 residue, 1 model selected 
    5426 
    5427 > select add #3/A:205
    5428 
    5429 20 atoms, 19 bonds, 2 residues, 1 model selected 
    5430 
    5431 > setattr #3/A:sel res ss_type 1
    5432 
    5433 Assigning ss_type attribute to 0 items 
    5434 
    5435 > select clear
    5436 
    5437 > select add #3/A:204
    5438 
    5439 11 atoms, 11 bonds, 1 residue, 1 model selected 
    5440 
    5441 > select add #3/A:205
    5442 
    5443 20 atoms, 19 bonds, 2 residues, 1 model selected 
    5444 
    5445 > setattr #3/A:204-205 res ss_type 1
    5446 
    5447 Assigning ss_type attribute to 2 items 
    5448 
    5449 > setattr #3/A:204-205 res ss_type 0
    5450 
    5451 Assigning ss_type attribute to 2 items 
    5452 
    5453 > select clear
    5454 
    5455 > select add #3/A:214
    5456 
    5457 7 atoms, 7 bonds, 1 residue, 1 model selected 
    5458 
    5459 > select add #3/A:213
    5460 
    5461 14 atoms, 13 bonds, 2 residues, 1 model selected 
    5462 
    5463 > setattr #3/A:213-214 res ss_type 0
    5464 
    5465 Assigning ss_type attribute to 2 items 
    5466 
    5467 > select clear
    5468 
    5469 > select add #3/A:236
    5470 
    5471 8 atoms, 7 bonds, 1 residue, 1 model selected 
    5472 
    5473 > select add #3/A:237
    5474 
    5475 16 atoms, 14 bonds, 2 residues, 1 model selected 
    5476 
    5477 > select add #3/A:238
    5478 
    5479 20 atoms, 17 bonds, 3 residues, 1 model selected 
    5480 
    5481 > select clear
    5482 
    5483 > select add #3/A:199
    5484 
    5485 9 atoms, 8 bonds, 1 residue, 1 model selected 
    5486 
    5487 > select add #3/A:200
    5488 
    5489 13 atoms, 11 bonds, 2 residues, 1 model selected 
    5490 
    5491 > select subtract #3/A:199
    5492 
    5493 4 atoms, 3 bonds, 1 residue, 1 model selected 
    5494 
    5495 > select add #3/A:232
    5496 
    5497 9 atoms, 7 bonds, 2 residues, 1 model selected 
    5498 
    5499 > select #3/A:200
    5500 
    5501 4 atoms, 3 bonds, 1 residue, 1 model selected 
    5502 
    5503 > select #3/A:200-233
    5504 
    5505 285 atoms, 296 bonds, 34 residues, 1 model selected 
    5506 
    5507 > color sel forest green target ac
    5508 
    5509 > select clear
    5510 
    5511 > select #3/A:234
    5512 
    5513 11 atoms, 10 bonds, 1 residue, 1 model selected 
    5514 
    5515 > select #3/A:234-339
    5516 
    5517 801 atoms, 825 bonds, 106 residues, 1 model selected 
    5518 
    5519 > color sel pink target ac
    5520 
    5521 > color sel dark turquoise target ac
    5522 
    5523 > color sel light sea green target ac
    5524 
    5525 > color sel teal target ac
    5526 
    5527 > color sel yellow green target ac
    5528 
    5529 > color sel sandy brown target ac
    5530 
    5531 > color sel royal blue target ac
    5532 
    5533 > select clear
    5534 
    5535 > select #3/A:73
    5536 
    5537 7 atoms, 7 bonds, 1 residue, 1 model selected 
    5538 
    5539 > select #3/A:74
    5540 
    5541 7 atoms, 6 bonds, 1 residue, 1 model selected 
    5542 
    5543 > select #3/A:75
    5544 
    5545 5 atoms, 4 bonds, 1 residue, 1 model selected 
    5546 
    5547 > select #3/A:74
    5548 
    5549 7 atoms, 6 bonds, 1 residue, 1 model selected 
    5550 
    5551 > select #3/A:73
    5552 
    5553 7 atoms, 7 bonds, 1 residue, 1 model selected 
    5554 
    5555 > select #3/A:1
    5556 
    5557 5 atoms, 4 bonds, 1 residue, 1 model selected 
    5558 
    5559 > select #3/A:1-73
    5560 
    5561 543 atoms, 556 bonds, 73 residues, 1 model selected 
    5562 
    5563 > color sel dark sea green target ac
    5564 
    5565 > select clear
    5566 
    5567 > select add #3/A:199
    5568 
    5569 9 atoms, 8 bonds, 1 residue, 1 model selected 
    5570 
    5571 > select add #3/A:74
    5572 
    5573 16 atoms, 14 bonds, 2 residues, 1 model selected 
    5574 
    5575 > select #3/A:74-75
    5576 
    5577 12 atoms, 11 bonds, 2 residues, 1 model selected 
    5578 
    5579 > select #3/A:74-199
    5580 
    5581 971 atoms, 1000 bonds, 126 residues, 1 model selected 
    5582 
    5583 > color sel dark khaki target ac
    5584 
    5585 > select clear
    5586 
    5587 > select add #3/A:234
    5588 
    5589 11 atoms, 10 bonds, 1 residue, 1 model selected 
    5590 
    5591 > select #3/A:234
    5592 
    5593 11 atoms, 10 bonds, 1 residue, 1 model selected 
    5594 
    5595 > select #3/A:234-339
    5596 
    5597 801 atoms, 825 bonds, 106 residues, 1 model selected 
    5598 
    5599 > color sel dim gray target ac
    5600 
    5601 > color sel lavender target ac
    5602 
    5603 > color sel pale goldenrod target ac
    5604 
    5605 > color sel khaki target ac
    5606 
    5607 > color sel wheat target ac
    5608 
    5609 > color sel light steel blue target ac
    5610 
    5611 > color sel powder blue target ac
    5612 
    5613 > color sel light blue target ac
    5614 
    5615 > color sel light steel blue target ac
    5616 
    5617 > select clear
    5618 
    5619 > select ::name="CYS"
    5620 
    5621 240 atoms, 221 bonds, 40 residues, 3 models selected 
    5622 
    5623 > color (#3 & sel) byhetero
    5624 
    5625 > select clear
    5626 
    5627 > select add #3/A:334
    5628 
    5629 8 atoms, 7 bonds, 1 residue, 1 model selected 
    5630 
    5631 > select #3/A:334
    5632 
    5633 8 atoms, 7 bonds, 1 residue, 1 model selected 
    5634 
    5635 > select #3/A:334-339
    5636 
    5637 46 atoms, 47 bonds, 6 residues, 1 model selected 
    5638 
    5639 > hide sel cartoons
    5640 
    5641 > select clear
    5642 
    5643 > select add #3/A:74
    5644 
    5645 7 atoms, 6 bonds, 1 residue, 1 model selected 
    5646 
    5647 > select add #3/A:108
    5648 
    5649 15 atoms, 13 bonds, 2 residues, 1 model selected 
    5650 
    5651 > select subtract #3/A:108
    5652 
    5653 7 atoms, 6 bonds, 1 residue, 1 model selected 
    5654 
    5655 > select add #3/A:107
    5656 
    5657 16 atoms, 14 bonds, 2 residues, 1 model selected 
    5658 
    5659 > select #3/A:74
    5660 
    5661 7 atoms, 6 bonds, 1 residue, 1 model selected 
    5662 
    5663 > select #3/A:74-107
    5664 
    5665 256 atoms, 262 bonds, 34 residues, 1 model selected 
    5666 
    5667 > color sel light gray target ac
    5668 
    5669 > select clear
    5670 
    5671 > select ::name="CYS"
    5672 
    5673 240 atoms, 221 bonds, 40 residues, 3 models selected 
    5674 
    5675 > color (#3 & sel) byhetero
    5676 
    5677 > select clear
    5678 
    5679 > select add #3/A:208
    5680 
    5681 8 atoms, 7 bonds, 1 residue, 1 model selected 
    5682 
    5683 > select add #3/A:207
    5684 
    5685 14 atoms, 12 bonds, 2 residues, 1 model selected 
    5686 
    5687 > select add #3/A:209
    5688 
    5689 22 atoms, 19 bonds, 3 residues, 1 model selected 
    5690 
    5691 > setattr #3/A:207-209 res ss_type 0
    5692 
    5693 Assigning ss_type attribute to 3 items 
    5694 
    5695 > select clear
    5696 
    5697 > select add #3/A:212
    5698 
    5699 10 atoms, 10 bonds, 1 residue, 1 model selected 
    5700 
    5701 > select add #3/A:211
    5702 
    5703 16 atoms, 15 bonds, 2 residues, 1 model selected 
    5704 
    5705 > select add #3/A:213
    5706 
    5707 23 atoms, 21 bonds, 3 residues, 1 model selected 
    5708 
    5709 > select add #3/A:210
    5710 
    5711 30 atoms, 27 bonds, 4 residues, 1 model selected 
    5712 
    5713 > setattr #3/A:210-213 res ss_type 0
    5714 
    5715 Assigning ss_type attribute to 4 items 
    5716 
    5717 > select clear
    5718 
    5719 > select ::name="ASN"
    5720 
    5721 352 atoms, 311 bonds, 44 residues, 3 models selected 
    5722 
    5723 > select clear
    5724 
    5725 > show #1 models
    5726 
    5727 > hide #1 models
    5728 
    5729 > select clear
    5730 
    5731 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    5732 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/ZmWAK.png"
    5733 > width 900 height 739 supersample 4 transparentBackground true
    5734 
    5735 > select clear
    5736 
    5737 > hide #3 models
    5738 
    5739 > open
    5740 > /Users/u6290062/Downloads/Xa4_7f217/Xa4_7f217_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb
    5741 
    5742 Chain information for
    5743 Xa4_7f217_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #4 
    5744 --- 
    5745 Chain | Description 
    5746 A | No description available 
    5747  
    5748 Computing secondary structure 
    5749 Alignment identifier is 1/A 
    5750 Destroying pre-existing alignment with identifier 2/A 
    5751 Alignment identifier is 2/A 
    5752 Destroying pre-existing alignment with identifier 3/A 
    5753 Alignment identifier is 3/A 
    5754 Alignment identifier is 4/A 
    5755 
    5756 > select #4/A:26
    5757 
    5758 8 atoms, 7 bonds, 1 residue, 1 model selected 
    5759 Drag select of 4 residues 
    5760 
    5761 > select clear
    5762 
    5763 > select add #4/A:27
    5764 
    5765 6 atoms, 5 bonds, 1 residue, 1 model selected 
    5766 
    5767 > select add #4/A:25
    5768 
    5769 14 atoms, 12 bonds, 2 residues, 1 model selected 
    5770 
    5771 > setattr #3/A:25-27 res ss_type 0
    5772 
    5773 Assigning ss_type attribute to 3 items 
    5774 
    5775 > setattr #4/A:25-27 res ss_type 0
    5776 
    5777 Assigning ss_type attribute to 3 items 
    5778 
    5779 > select clear
    5780 
    5781 > show #2 models
    5782 
    5783 > ui tool show Matchmaker
    5784 
    5785 > matchmaker #2 to #4
    5786 
    5787 Parameters 
    5788 --- 
    5789 Chain pairing | bb 
    5790 Alignment algorithm | Needleman-Wunsch 
    5791 Similarity matrix | BLOSUM-62 
    5792 SS fraction | 0.3 
    5793 Gap open (HH/SS/other) | 18/18/6 
    5794 Gap extend | 1 
    5795 SS matrix |  |  | H | S | O 
    5796 ---|---|---|--- 
    5797 H | 6 | -9 | -6 
    5798 S |  | 6 | -6 
    5799 O |  |  | 4 
    5800 Iteration cutoff | 2 
    5801  
    5802 Matchmaker Xa4_7f217_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb,
    5803 chain A (#4) with stb6.pdb, chain A (#2), sequence alignment score = 103.2 
    5804 RMSD between 47 pruned atom pairs is 0.921 angstroms; (across all 161 pairs:
    5805 14.144) 
    5806  
    5807 
    5808 > select add #4/A:34
    5809 
    5810 8 atoms, 7 bonds, 1 residue, 1 model selected 
    5811 
    5812 > select add #4/A:37
    5813 
    5814 16 atoms, 14 bonds, 2 residues, 1 model selected 
    5815 
    5816 > select #4/A:35
    5817 
    5818 11 atoms, 11 bonds, 1 residue, 1 model selected 
    5819 
    5820 > select #4/A:35-37
    5821 
    5822 26 atoms, 26 bonds, 3 residues, 1 model selected 
    5823 
    5824 > setattr #4/A:35-37 res ss_type 2
    5825 
    5826 Assigning ss_type attribute to 3 items 
    5827 
    5828 > select clear
    5829 
    5830 > select add #4/A:22
    5831 
    5832 11 atoms, 11 bonds, 1 residue, 1 model selected 
    5833 
    5834 > select add #4/A:24
    5835 
    5836 18 atoms, 17 bonds, 2 residues, 1 model selected 
    5837 
    5838 > select add #4/A:25
    5839 
    5840 26 atoms, 24 bonds, 3 residues, 1 model selected 
    5841 
    5842 > setattr #4/A:22-25 res ss_type 2
    5843 
    5844 Assigning ss_type attribute to 4 items 
    5845 
    5846 > select clear
    5847 
    5848 > hide #2 models
    5849 
    5850 > select clear
    5851 
    5852 > select ::name="CYS"
    5853 
    5854 384 atoms, 342 bonds, 64 residues, 4 models selected 
    5855 
    5856 > show sel & #4 atoms
    5857 
    5858 > select clear
    5859 
    5860 > select add #4/A:9@SG
    5861 
    5862 1 atom, 1 residue, 1 model selected 
    5863 
    5864 > select add #4/A:27@SG
    5865 
    5866 2 atoms, 2 residues, 1 model selected 
    5867 
    5868 > bond sel
    5869 
    5870 Created 1 bond 
    5871 
    5872 > select clear
    5873 
    5874 > select add #4/A:13@SG
    5875 
    5876 1 atom, 1 residue, 1 model selected 
    5877 
    5878 > select add #4/A:39@SG
    5879 
    5880 2 atoms, 2 residues, 1 model selected 
    5881 
    5882 > bond sel
    5883 
    5884 Created 1 bond 
    5885 
    5886 > select #4/A:180@SG
    5887 
    5888 1 atom, 1 residue, 1 model selected 
    5889 
    5890 > select add #4/A:71@SG
    5891 
    5892 2 atoms, 2 residues, 1 model selected 
    5893 
    5894 > bond sel
    5895 
    5896 Created 1 bond 
    5897 
    5898 > select clear
    5899 
    5900 > select add #4/A:131@SG
    5901 
    5902 1 atom, 1 residue, 1 model selected 
    5903 
    5904 > select add #4/A:109@SG
    5905 
    5906 2 atoms, 2 residues, 1 model selected 
    5907 
    5908 > bond sel
    5909 
    5910 Created 1 bond 
    5911 
    5912 > select add #4/A:150@SG
    5913 
    5914 3 atoms, 3 residues, 1 model selected 
    5915 
    5916 > select add #4/A:127@SG
    5917 
    5918 4 atoms, 4 residues, 1 model selected 
    5919 
    5920 > bond sel
    5921 
    5922 Created 1 bond 
    5923 
    5924 > select add #4/A:144@SG
    5925 
    5926 5 atoms, 5 residues, 1 model selected 
    5927 
    5928 > select add #4/A:149@SG
    5929 
    5930 6 atoms, 6 residues, 1 model selected 
    5931 
    5932 > bond sel
    5933 
    5934 Created 1 bond 
    5935 
    5936 > select clear
    5937 
    5938 > select add #4/A:245@SG
    5939 
    5940 1 atom, 1 residue, 1 model selected 
    5941 
    5942 > select add #4/A:228@SG
    5943 
    5944 2 atoms, 2 residues, 1 model selected 
    5945 
    5946 > bond sel
    5947 
    5948 Created 1 bond 
    5949 
    5950 > select add #4/A:256@SG
    5951 
    5952 3 atoms, 3 residues, 1 model selected 
    5953 
    5954 > select add #4/A:238@SG
    5955 
    5956 4 atoms, 4 residues, 1 model selected 
    5957 
    5958 > bond sel
    5959 
    5960 Created 1 bond 
    5961 
    5962 > select add #4/A:258@SG
    5963 
    5964 5 atoms, 5 residues, 1 model selected 
    5965 
    5966 > select add #4/A:272@SG
    5967 
    5968 6 atoms, 6 residues, 1 model selected 
    5969 
    5970 > bond sel
    5971 
    5972 Created 1 bond 
    5973 
    5974 > select add #4/A:291@SG
    5975 
    5976 7 atoms, 7 residues, 1 model selected 
    5977 
    5978 > select add #4/A:278@SG
    5979 
    5980 8 atoms, 8 residues, 1 model selected 
    5981 
    5982 > bond sel
    5983 
    5984 Created 1 bond 
    5985 
    5986 > select add #4/A:300@SG
    5987 
    5988 9 atoms, 9 residues, 1 model selected 
    5989 
    5990 > select add #4/A:285@SG
    5991 
    5992 10 atoms, 10 residues, 1 model selected 
    5993 
    5994 > bond sel
    5995 
    5996 Created 1 bond 
    5997 
    5998 > select add #4/A:320@SG
    5999 
    6000 11 atoms, 11 residues, 1 model selected 
    6001 
    6002 > select add #4/A:302@SG
    6003 
    6004 12 atoms, 12 residues, 1 model selected 
    6005 
    6006 > bond sel
    6007 
    6008 Created 1 bond 
    6009 
    6010 > select clear
    6011 
    6012 > select add #4/A:8
    6013 
    6014 8 atoms, 7 bonds, 1 residue, 1 model selected 
    6015 
    6016 > select #4/A:6
    6017 
    6018 7 atoms, 7 bonds, 1 residue, 1 model selected 
    6019 
    6020 > select #4/A:1-6
    6021 
    6022 43 atoms, 44 bonds, 6 residues, 1 model selected 
    6023 
    6024 > hide sel cartoons
    6025 
    6026 > select clear
    6027 
    6028 > select add #4/A:325
    6029 
    6030 7 atoms, 7 bonds, 1 residue, 1 model selected 
    6031 
    6032 > select add #4/A:322
    6033 
    6034 14 atoms, 14 bonds, 2 residues, 1 model selected 
    6035 
    6036 > select add #4/A:321
    6037 
    6038 23 atoms, 22 bonds, 3 residues, 1 model selected 
    6039 
    6040 > select #4/A:321-322
    6041 
    6042 16 atoms, 16 bonds, 2 residues, 1 model selected 
    6043 
    6044 > select #4/A:321-326
    6045 
    6046 44 atoms, 45 bonds, 6 residues, 1 model selected 
    6047 
    6048 > hide sel cartoons
    6049 
    6050 > select clear
    6051 
    6052 > select add #4/A:135
    6053 
    6054 5 atoms, 4 bonds, 1 residue, 1 model selected 
    6055 
    6056 > select add #4/A:136
    6057 
    6058 12 atoms, 10 bonds, 2 residues, 1 model selected 
    6059 
    6060 > select add #4/A:134
    6061 
    6062 20 atoms, 17 bonds, 3 residues, 1 model selected 
    6063 
    6064 > setattr #4:134-136 res ss_type 0
    6065 
    6066 Assigning ss_type attribute to 3 items 
    6067 
    6068 > select clear
    6069 
    6070 > select add #4/A:198
    6071 
    6072 11 atoms, 11 bonds, 1 residue, 1 model selected 
    6073 
    6074 > select add #4/A:195
    6075 
    6076 22 atoms, 21 bonds, 2 residues, 1 model selected 
    6077 
    6078 > setattr #4:195-198 res ss_type 0
    6079 
    6080 Assigning ss_type attribute to 4 items 
    6081 
    6082 > select clear
    6083 
    6084 > select add #4/A:188
    6085 
    6086 9 atoms, 8 bonds, 1 residue, 1 model selected 
    6087 
    6088 > select add #4/A:189
    6089 
    6090 19 atoms, 18 bonds, 2 residues, 1 model selected 
    6091 
    6092 > select subtract #4/A:188
    6093 
    6094 10 atoms, 10 bonds, 1 residue, 1 model selected 
    6095 
    6096 > select add #4/A:221
    6097 
    6098 15 atoms, 14 bonds, 2 residues, 1 model selected 
    6099 
    6100 > select #4/A:189
    6101 
    6102 10 atoms, 10 bonds, 1 residue, 1 model selected 
    6103 
    6104 > select #4/A:189-221
    6105 
    6106 294 atoms, 304 bonds, 33 residues, 1 model selected 
    6107 
    6108 > color sel forest green target ac
    6109 
    6110 > select clear
    6111 
    6112 > select add #4/A:222
    6113 
    6114 8 atoms, 7 bonds, 1 residue, 1 model selected 
    6115 
    6116 > select #4/A:222-224
    6117 
    6118 28 atoms, 27 bonds, 3 residues, 1 model selected 
    6119 
    6120 > select #4/A:222-326
    6121 
    6122 777 atoms, 796 bonds, 105 residues, 1 model selected 
    6123 
    6124 > color sel light steel blue target ac
    6125 
    6126 > select clear
    6127 
    6128 > select add #4/A:67
    6129 
    6130 7 atoms, 6 bonds, 1 residue, 1 model selected 
    6131 
    6132 > select add #4/A:101
    6133 
    6134 18 atoms, 16 bonds, 2 residues, 1 model selected 
    6135 
    6136 > select #4/A:67-68
    6137 
    6138 14 atoms, 13 bonds, 2 residues, 1 model selected 
    6139 
    6140 > select #4/A:67-101
    6141 
    6142 276 atoms, 281 bonds, 35 residues, 1 model selected 
    6143 
    6144 > color sel light gray target ac
    6145 
    6146 > select clear
    6147 
    6148 > select add #4/A:66
    6149 
    6150 7 atoms, 7 bonds, 1 residue, 1 model selected 
    6151 
    6152 > select #4/A:1
    6153 
    6154 5 atoms, 4 bonds, 1 residue, 1 model selected 
    6155 
    6156 > select #4/A:1-66
    6157 
    6158 505 atoms, 524 bonds, 66 residues, 1 model selected 
    6159 
    6160 > color sel dark sea green target ac
    6161 
    6162 > select clear
    6163 
    6164 > select add #4/A:102
    6165 
    6166 8 atoms, 7 bonds, 1 residue, 1 model selected 
    6167 
    6168 > select add #4/A:188
    6169 
    6170 17 atoms, 15 bonds, 2 residues, 1 model selected 
    6171 
    6172 > select #4/A:102
    6173 
    6174 8 atoms, 7 bonds, 1 residue, 1 model selected 
    6175 
    6176 > select #4/A:102-188
    6177 
    6178 628 atoms, 644 bonds, 87 residues, 1 model selected 
    6179 
    6180 > color sel dark khaki target ac
    6181 
    6182 > select clear
    6183 
    6184 > select ::name="CYS"
    6185 
    6186 384 atoms, 354 bonds, 64 residues, 4 models selected 
    6187 
    6188 > color (#4 & sel) byhetero
    6189 
    6190 > select clear
    6191 
    6192 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    6193 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Xa4.png" width
    6194 > 900 height 739 supersample 4 transparentBackground true
    6195 
    6196 > hide #4 models
    6197 
    6198 > open
    6199 > /Users/u6290062/Downloads/snn1_d97b8/snn1_d97b8_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb
    6200 
    6201 Chain information for
    6202 snn1_d97b8_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #5 
    6203 --- 
    6204 Chain | Description 
    6205 A | No description available 
    6206  
    6207 Computing secondary structure 
    6208 
    6209 > select clear
    6210 
    6211 > hide #5 models
    6212 
    6213 > show #4 models
    6214 
    6215 > color bfactor palette
    6216 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue
    6217 
    6218 10982 atoms, 1423 residues, atom bfactor range 32.5 to 191 
    6219 
    6220 > select clear
    6221 
    6222 > hide #4 atoms
    6223 
    6224 > select clear
    6225 
    6226 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    6227 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Xa4-pLDDT.png"
    6228 > width 900 height 739 supersample 4 transparentBackground true
    6229 
    6230 > select clear
    6231 
    6232 > hide #4 models
    6233 
    6234 > show #3 models
    6235 
    6236 > hide #3 atoms
    6237 
    6238 > select clear
    6239 
    6240 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    6241 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/ZmWAK-
    6242 > pLDDT.png" width 900 height 739 supersample 4 transparentBackground true
    6243 
    6244 > select clear
    6245 
    6246 > hide #3 models
    6247 
    6248 > show #1 models
    6249 
    6250 > select clear
    6251 
    6252 > hide #1 atoms
    6253 
    6254 > select clear
    6255 
    6256 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    6257 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/ZmWAKL-Y-
    6258 > pLDDT.png" width 900 height 739 supersample 4 transparentBackground true
    6259 
    6260 > hide #1 models
    6261 
    6262 > show #5 models
    6263 
    6264 > color #5 #d4fb79ff
    6265 
    6266 > show #2 models
    6267 
    6268 > ui tool show Matchmaker
    6269 
    6270 > matchmaker #2 to #5
    6271 
    6272 Parameters 
    6273 --- 
    6274 Chain pairing | bb 
    6275 Alignment algorithm | Needleman-Wunsch 
    6276 Similarity matrix | BLOSUM-62 
    6277 SS fraction | 0.3 
    6278 Gap open (HH/SS/other) | 18/18/6 
    6279 Gap extend | 1 
    6280 SS matrix |  |  | H | S | O 
    6281 ---|---|---|--- 
    6282 H | 6 | -9 | -6 
    6283 S |  | 6 | -6 
    6284 O |  |  | 4 
    6285 Iteration cutoff | 2 
    6286  
    6287 Matchmaker snn1_d97b8_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb,
    6288 chain A (#5) with stb6.pdb, chain A (#2), sequence alignment score = 78.7 
    6289 RMSD between 44 pruned atom pairs is 0.933 angstroms; (across all 166 pairs:
    6290 14.577) 
    6291  
    6292 
    6293 > color #5 #941751ff
    6294 
    6295 > color #5 #ff2f92ff
    6296 
    6297 > color #5 #ff8ad8ff
    6298 
    6299 > color #5 #ff85ffff
    6300 
    6301 > color #5 #73fcd6ff
    6302 
    6303 > color #5 #ff8ad8ff
    6304 
    6305 > select clear
    6306 
    6307 > color #2 #d6d6d6ff
    6308 
    6309 > select clear
    6310 
    6311 > select add #5/A:31
    6312 
    6313 11 atoms, 11 bonds, 1 residue, 1 model selected 
    6314 Alignment identifier is 5/A 
    6315 
    6316 > select #5/A:31
    6317 
    6318 11 atoms, 11 bonds, 1 residue, 1 model selected 
    6319 
    6320 > select #5/A:31-36
    6321 
    6322 48 atoms, 48 bonds, 6 residues, 1 model selected 
    6323 
    6324 > setattr #5:31-36 res ss_type 2
    6325 
    6326 Assigning ss_type attribute to 6 items 
    6327 
    6328 > select clear
    6329 
    6330 > setattr #5:30-36 res ss_type 2
    6331 
    6332 Assigning ss_type attribute to 7 items 
    6333 
    6334 > setattr #5:29-36 res ss_type 2
    6335 
    6336 Assigning ss_type attribute to 8 items 
    6337 
    6338 > setattr #5:29-36 res ss_type 0
    6339 
    6340 Assigning ss_type attribute to 8 items 
    6341 
    6342 > setattr #5:30-36 res ss_type 2
    6343 
    6344 Assigning ss_type attribute to 7 items 
    6345 
    6346 > select clear
    6347 
    6348 > select add #5/A:20
    6349 
    6350 11 atoms, 11 bonds, 1 residue, 1 model selected 
    6351 
    6352 > select #5/A:21
    6353 
    6354 4 atoms, 3 bonds, 1 residue, 1 model selected 
    6355 
    6356 > select #5/A:21-22
    6357 
    6358 12 atoms, 11 bonds, 2 residues, 1 model selected 
    6359 
    6360 > select #5/A:20
    6361 
    6362 11 atoms, 11 bonds, 1 residue, 1 model selected 
    6363 
    6364 > select #5/A:20-22
    6365 
    6366 23 atoms, 23 bonds, 3 residues, 1 model selected 
    6367 
    6368 > setattr #5:20-22 res ss_type 2
    6369 
    6370 Assigning ss_type attribute to 3 items 
    6371 
    6372 > select clear
    6373 
    6374 > hide #2 models
    6375 
    6376 > select clear
    6377 
    6378 > select ::name="CYS"
    6379 
    6380 516 atoms, 465 bonds, 86 residues, 5 models selected 
    6381 
    6382 > show sel & #5 atoms
    6383 
    6384 > color (#5 & sel) byhetero
    6385 
    6386 > select clear
    6387 
    6388 > select #5/A:7@SG
    6389 
    6390 1 atom, 1 residue, 1 model selected 
    6391 
    6392 > select add #5/A:26@SG
    6393 
    6394 2 atoms, 2 residues, 1 model selected 
    6395 
    6396 > bond sel
    6397 
    6398 Created 1 bond 
    6399 
    6400 > select #5/A:11@SG
    6401 
    6402 1 atom, 1 residue, 1 model selected 
    6403 
    6404 > select add #5/A:35@SG
    6405 
    6406 2 atoms, 2 residues, 1 model selected 
    6407 
    6408 > bond sel
    6409 
    6410 Created 1 bond 
    6411 
    6412 > select add #5/A:208@SG
    6413 
    6414 3 atoms, 3 residues, 1 model selected 
    6415 
    6416 > select add #5/A:94@SG
    6417 
    6418 4 atoms, 4 residues, 1 model selected 
    6419 
    6420 > bond sel
    6421 
    6422 Created 1 bond 
    6423 
    6424 > select add #5/A:170@SG
    6425 
    6426 5 atoms, 5 residues, 1 model selected 
    6427 
    6428 > select add #5/A:175@SG
    6429 
    6430 6 atoms, 6 residues, 1 model selected 
    6431 
    6432 > bond sel
    6433 
    6434 Created 1 bond 
    6435 
    6436 > select add #5/A:152@SG
    6437 
    6438 7 atoms, 7 residues, 1 model selected 
    6439 
    6440 > select add #5/A:176@SG
    6441 
    6442 8 atoms, 8 residues, 1 model selected 
    6443 
    6444 > select subtract #5/A:176@SG
    6445 
    6446 7 atoms, 7 residues, 1 model selected 
    6447 
    6448 > select add #5/A:176@SG
    6449 
    6450 8 atoms, 8 residues, 1 model selected 
    6451 
    6452 > bond sel
    6453 
    6454 Created 0 bonds 
    6455 
    6456 > bond sel
    6457 
    6458 Created 0 bonds 
    6459 
    6460 > select clear
    6461 
    6462 > select add #5/A:152@SG
    6463 
    6464 1 atom, 1 residue, 1 model selected 
    6465 
    6466 > select add #5/A:176@SG
    6467 
    6468 2 atoms, 2 residues, 1 model selected 
    6469 
    6470 > bond sel
    6471 
    6472 Created 0 bonds 
    6473 
    6474 > select clear
    6475 
    6476 > select add #5/A:152@SG
    6477 
    6478 1 atom, 1 residue, 1 model selected 
    6479 
    6480 > select add #5/A:176@SG
    6481 
    6482 2 atoms, 2 residues, 1 model selected 
    6483 
    6484 > bond sel
    6485 
    6486 Created 0 bonds 
    6487 
    6488 > select clear
    6489 
    6490 > select add #5/A:210
    6491 
    6492 12 atoms, 12 bonds, 1 residue, 1 model selected 
    6493 
    6494 > select clear
    6495 
    6496 > select add #5/A:176@SG
    6497 
    6498 1 atom, 1 residue, 1 model selected 
    6499 
    6500 > select add #5/A:152@SG
    6501 
    6502 2 atoms, 2 residues, 1 model selected 
    6503 
    6504 > bond sel
    6505 
    6506 Created 0 bonds 
    6507 
    6508 > select clear
    6509 
    6510 > select add #5/A:331@SG
    6511 
    6512 1 atom, 1 residue, 1 model selected 
    6513 
    6514 > select add #5/A:344@SG
    6515 
    6516 2 atoms, 2 residues, 1 model selected 
    6517 
    6518 > bond sel
    6519 
    6520 Created 1 bond 
    6521 
    6522 > select add #5/A:329@SG
    6523 
    6524 3 atoms, 3 residues, 1 model selected 
    6525 
    6526 > select add #5/A:314@SG
    6527 
    6528 4 atoms, 4 residues, 1 model selected 
    6529 
    6530 > bond sel
    6531 
    6532 Created 1 bond 
    6533 
    6534 > select add #5/A:306@SG
    6535 
    6536 5 atoms, 5 residues, 1 model selected 
    6537 
    6538 > select add #5/A:320@SG
    6539 
    6540 6 atoms, 6 residues, 1 model selected 
    6541 
    6542 > bond sel
    6543 
    6544 Created 1 bond 
    6545 
    6546 > select clear
    6547 
    6548 > select add #5/A:266@SG
    6549 
    6550 1 atom, 1 residue, 1 model selected 
    6551 
    6552 > select add #5/A:284@SG
    6553 
    6554 2 atoms, 2 residues, 1 model selected 
    6555 
    6556 > bond sel
    6557 
    6558 Created 1 bond 
    6559 
    6560 > select clear
    6561 
    6562 > select add #5/A:300@SG
    6563 
    6564 1 atom, 1 residue, 1 model selected 
    6565 
    6566 > select add #5/A:286@SG
    6567 
    6568 2 atoms, 2 residues, 1 model selected 
    6569 
    6570 > bond sel
    6571 
    6572 Created 1 bond 
    6573 
    6574 > select clear
    6575 
    6576 > select add #5/A:273@SG
    6577 
    6578 1 atom, 1 residue, 1 model selected 
    6579 
    6580 > select add #5/A:253@SG
    6581 
    6582 2 atoms, 2 residues, 1 model selected 
    6583 
    6584 > bond sel
    6585 
    6586 Created 1 bond 
    6587 
    6588 > select clear
    6589 
    6590 > select add #5/A:6
    6591 
    6592 4 atoms, 3 bonds, 1 residue, 1 model selected 
    6593 
    6594 > select #5/A:1
    6595 
    6596 5 atoms, 4 bonds, 1 residue, 1 model selected 
    6597 
    6598 > select #5/A:1-4
    6599 
    6600 32 atoms, 31 bonds, 4 residues, 1 model selected 
    6601 
    6602 > select #5/A:1
    6603 
    6604 5 atoms, 4 bonds, 1 residue, 1 model selected 
    6605 
    6606 > select #5/A:1-5
    6607 
    6608 41 atoms, 40 bonds, 5 residues, 1 model selected 
    6609 
    6610 > hide sel cartoons
    6611 
    6612 > select clear
    6613 
    6614 > select add #5/A:238
    6615 
    6616 11 atoms, 10 bonds, 1 residue, 1 model selected 
    6617 
    6618 > select add #5/A:235
    6619 
    6620 22 atoms, 20 bonds, 2 residues, 1 model selected 
    6621 
    6622 > setattr #4:235-238 res ss_type 2
    6623 
    6624 Assigning ss_type attribute to 4 items 
    6625 
    6626 > setattr #5:235-238 res ss_type 1
    6627 
    6628 Assigning ss_type attribute to 4 items 
    6629 
    6630 > select clear
    6631 
    6632 > select add #5/A:247
    6633 
    6634 5 atoms, 4 bonds, 1 residue, 1 model selected 
    6635 
    6636 > select add #5/A:216
    6637 
    6638 14 atoms, 12 bonds, 2 residues, 1 model selected 
    6639 
    6640 > select #5/A:216
    6641 
    6642 9 atoms, 8 bonds, 1 residue, 1 model selected 
    6643 
    6644 > select #5/A:216-247
    6645 
    6646 266 atoms, 274 bonds, 32 residues, 1 model selected 
    6647 
    6648 > color sel forest green target ac
    6649 
    6650 > select clear
    6651 
    6652 > select add #5/A:73
    6653 
    6654 9 atoms, 8 bonds, 1 residue, 1 model selected 
    6655 
    6656 > select add #5/A:71
    6657 
    6658 15 atoms, 13 bonds, 2 residues, 1 model selected 
    6659 
    6660 > select add #5/A:72
    6661 
    6662 23 atoms, 20 bonds, 3 residues, 1 model selected 
    6663 
    6664 > setattr #5:71-73 res ss_type 0
    6665 
    6666 Assigning ss_type attribute to 3 items 
    6667 
    6668 > select clear
    6669 
    6670 > select add #5/A:74
    6671 
    6672 8 atoms, 7 bonds, 1 residue, 1 model selected 
    6673 
    6674 > select add #5/A:121
    6675 
    6676 19 atoms, 17 bonds, 2 residues, 1 model selected 
    6677 
    6678 > select #5/A:74
    6679 
    6680 8 atoms, 7 bonds, 1 residue, 1 model selected 
    6681 
    6682 > select #5/A:74-125
    6683 
    6684 396 atoms, 404 bonds, 52 residues, 1 model selected 
    6685 
    6686 > select #5/A:120
    6687 
    6688 7 atoms, 6 bonds, 1 residue, 1 model selected 
    6689 
    6690 > select #5/A:120-121
    6691 
    6692 18 atoms, 17 bonds, 2 residues, 1 model selected 
    6693 
    6694 > select #5/A:120-121
    6695 
    6696 18 atoms, 17 bonds, 2 residues, 1 model selected 
    6697 
    6698 > select #5/A:74
    6699 
    6700 8 atoms, 7 bonds, 1 residue, 1 model selected 
    6701 
    6702 > select #5/A:74-121
    6703 
    6704 365 atoms, 373 bonds, 48 residues, 1 model selected 
    6705 
    6706 > color sel light gray target ac
    6707 
    6708 > select clear
    6709 
    6710 > select add #5/A:73
    6711 
    6712 9 atoms, 8 bonds, 1 residue, 1 model selected 
    6713 
    6714 > select #5/A:1-2
    6715 
    6716 14 atoms, 13 bonds, 2 residues, 1 model selected 
    6717 
    6718 > select #5/A:1-73
    6719 
    6720 564 atoms, 582 bonds, 73 residues, 1 model selected 
    6721 
    6722 > color sel dark sea green target ac
    6723 
    6724 > select clear
    6725 
    6726 > select #5/A:248
    6727 
    6728 5 atoms, 4 bonds, 1 residue, 1 model selected 
    6729 
    6730 > select #5/A:249
    6731 
    6732 4 atoms, 3 bonds, 1 residue, 1 model selected 
    6733 
    6734 > select #5/A:249-346
    6735 
    6736 713 atoms, 741 bonds, 98 residues, 1 model selected 
    6737 
    6738 > color sel light steel blue target ac
    6739 
    6740 > select clear
    6741 
    6742 > select add #5/A:248
    6743 
    6744 5 atoms, 4 bonds, 1 residue, 1 model selected 
    6745 
    6746 > color sel light steel blue target ac
    6747 
    6748 > select clear
    6749 
    6750 > select add #5/A:122
    6751 
    6752 8 atoms, 7 bonds, 1 residue, 1 model selected 
    6753 
    6754 > select add #5/A:215
    6755 
    6756 16 atoms, 14 bonds, 2 residues, 1 model selected 
    6757 
    6758 > select #5/A:122-123
    6759 
    6760 16 atoms, 15 bonds, 2 residues, 1 model selected 
    6761 
    6762 > select #5/A:122-215
    6763 
    6764 732 atoms, 755 bonds, 94 residues, 1 model selected 
    6765 
    6766 > color sel dark khaki target ac
    6767 
    6768 > select clear
    6769 
    6770 > select ::name="CYS"
    6771 
    6772 516 atoms, 475 bonds, 86 residues, 5 models selected 
    6773 
    6774 > show sel & #5 atoms
    6775 
    6776 > color (#5 & sel) byhetero
    6777 
    6778 > select clear
    6779 
    6780 > select add #5/A:225
    6781 
    6782 8 atoms, 7 bonds, 1 residue, 1 model selected 
    6783 
    6784 > select add #5/A:226
    6785 
    6786 16 atoms, 14 bonds, 2 residues, 1 model selected 
    6787 
    6788 > setattr #5:225-226 res ss_type 0
    6789 
    6790 Assigning ss_type attribute to 2 items 
    6791 
    6792 > select clear
    6793 
    6794 > select add #5/A:224
    6795 
    6796 7 atoms, 7 bonds, 1 residue, 1 model selected 
    6797 
    6798 > select add #5/A:223
    6799 
    6800 14 atoms, 13 bonds, 2 residues, 1 model selected 
    6801 
    6802 > setattr #5:223-224 res ss_type 0
    6803 
    6804 Assigning ss_type attribute to 2 items 
    6805 
    6806 > select clear
    6807 
    6808 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    6809 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Snn1.png" width
    6810 > 900 height 739 supersample 4 transparentBackground true
    6811 
    6812 > color bfactor palette
    6813 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue
    6814 
    6815 10982 atoms, 1423 residues, atom bfactor range 32.5 to 191 
    6816 
    6817 > select clear
    6818 
    6819 > hide #5 atoms
    6820 
    6821 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    6822 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Snn1-pLDDT.png"
    6823 > width 900 height 739 supersample 4 transparentBackground true
    6824 
    6825 > hide #5 models
    6826 
    6827 > open
    6828 > /Users/u6290062/Downloads/rlm9_d87e1/rlm9_d87e1_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb
    6829 
    6830 Chain information for
    6831 rlm9_d87e1_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb #6 
    6832 --- 
    6833 Chain | Description 
    6834 A | No description available 
    6835  
    6836 Computing secondary structure 
    6837 
    6838 > open
    6839 > /Users/u6290062/Downloads/rlm4_42bc7/rlm4_42bc7_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb
    6840 
    6841 Chain information for
    6842 rlm4_42bc7_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #7 
    6843 --- 
    6844 Chain | Description 
    6845 A | No description available 
    6846  
    6847 Computing secondary structure 
    6848 
    6849 > open
    6850 > /Users/u6290062/Downloads/rlm7_404af/rlm7_404af_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb
    6851 
    6852 Chain information for
    6853 rlm7_404af_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #8 
    6854 --- 
    6855 Chain | Description 
    6856 A | No description available 
    6857  
    6858 Computing secondary structure 
    6859 
    6860 > hide #6 models
    6861 
    6862 > hide #7 models
    6863 
    6864 > hide #8 models
    6865 
    6866 > show #7 models
    6867 
    6868 > hide #7 models
    6869 
    6870 > show #6 models
    6871 
    6872 > color bfactor palette
    6873 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue
    6874 
    6875 18945 atoms, 2467 residues, atom bfactor range 32.5 to 191 
    6876 
    6877 > hide #6 models
    6878 
    6879 > show #7 models
    6880 
    6881 > hide #7 models
    6882 
    6883 > show #8 models
    6884 
    6885 > hide #8 models
    6886 
    6887 > show #6 models
    6888 
    6889 > select clear
    6890 
    6891 > color #7 white
    6892 
    6893 > close #7
    6894 
    6895 > close #8
    6896 
    6897 > color #6 white
    6898 
    6899 > select clear
    6900 
    6901 > show #2 models
    6902 
    6903 > color #2 #00fdffff
    6904 
    6905 > select clear
    6906 
    6907 > ui tool show Matchmaker
    6908 
    6909 > matchmaker #2 to #6
    6910 
    6911 Parameters 
    6912 --- 
    6913 Chain pairing | bb 
    6914 Alignment algorithm | Needleman-Wunsch 
    6915 Similarity matrix | BLOSUM-62 
    6916 SS fraction | 0.3 
    6917 Gap open (HH/SS/other) | 18/18/6 
    6918 Gap extend | 1 
    6919 SS matrix |  |  | H | S | O 
    6920 ---|---|---|--- 
    6921 H | 6 | -9 | -6 
    6922 S |  | 6 | -6 
    6923 O |  |  | 4 
    6924 Iteration cutoff | 2 
    6925  
    6926 Matchmaker rlm9_d87e1_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb,
    6927 chain A (#6) with stb6.pdb, chain A (#2), sequence alignment score = 83.2 
    6928 RMSD between 26 pruned atom pairs is 0.902 angstroms; (across all 150 pairs:
    6929 20.495) 
    6930  
    6931 
    6932 > select add #6/A:16
    6933 
    6934 11 atoms, 11 bonds, 1 residue, 1 model selected 
    6935 
    6936 > select add #6/A:18
    6937 
    6938 19 atoms, 18 bonds, 2 residues, 1 model selected 
    6939 Alignment identifier is 6/A 
    6940 
    6941 > select #6/A:16-17
    6942 
    6943 15 atoms, 15 bonds, 2 residues, 1 model selected 
    6944 
    6945 > select #6/A:16-18
    6946 
    6947 23 atoms, 23 bonds, 3 residues, 1 model selected 
    6948 
    6949 > setattr #6:16-18 res ss_type 2
    6950 
    6951 Assigning ss_type attribute to 3 items 
    6952 
    6953 > select clear
    6954 
    6955 > select add #6/A:26
    6956 
    6957 9 atoms, 8 bonds, 1 residue, 1 model selected 
    6958 
    6959 > select add #6/A:28
    6960 
    6961 21 atoms, 20 bonds, 2 residues, 1 model selected 
    6962 
    6963 > setattr #6:26-28 res ss_type 0
    6964 
    6965 Assigning ss_type attribute to 3 items 
    6966 
    6967 > select #6/A:32
    6968 
    6969 6 atoms, 5 bonds, 1 residue, 1 model selected 
    6970 
    6971 > select add #6/A:30
    6972 
    6973 14 atoms, 12 bonds, 2 residues, 1 model selected 
    6974 
    6975 > select add #6/A:27
    6976 
    6977 28 atoms, 27 bonds, 3 residues, 1 model selected 
    6978 
    6979 > setattr #6:27-30 res ss_type 2
    6980 
    6981 Assigning ss_type attribute to 4 items 
    6982 
    6983 > select clear
    6984 
    6985 > hide #2 models
    6986 
    6987 > select clear
    6988 
    6989 > select ::name="CYS"
    6990 
    6991 660 atoms, 596 bonds, 110 residues, 6 models selected 
    6992 
    6993 > show sel & #6 atoms
    6994 
    6995 > color (#6 & sel) byhetero
    6996 
    6997 > select clear
    6998 
    6999 > select #6/A:3@SG
    7000 
    7001 1 atom, 1 residue, 1 model selected 
    7002 
    7003 > select add #6/A:22@SG
    7004 
    7005 2 atoms, 2 residues, 1 model selected 
    7006 
    7007 > bond sel
    7008 
    7009 Created 1 bond 
    7010 
    7011 > select add #6/A:7@SG
    7012 
    7013 3 atoms, 3 residues, 1 model selected 
    7014 
    7015 > select add #6/A:32@SG
    7016 
    7017 4 atoms, 4 residues, 1 model selected 
    7018 
    7019 > bond sel
    7020 
    7021 Created 1 bond 
    7022 
    7023 > select add #6/A:213@SG
    7024 
    7025 5 atoms, 5 residues, 1 model selected 
    7026 
    7027 > select add #6/A:88@SG
    7028 
    7029 6 atoms, 6 residues, 1 model selected 
    7030 
    7031 > bond sel
    7032 
    7033 Created 1 bond 
    7034 
    7035 > select add #6/A:139@SG
    7036 
    7037 7 atoms, 7 residues, 1 model selected 
    7038 
    7039 > select add #6/A:119@SG
    7040 
    7041 8 atoms, 8 residues, 1 model selected 
    7042 
    7043 > bond sel
    7044 
    7045 Created 1 bond 
    7046 
    7047 > select add #6/A:140
    7048 
    7049 16 atoms, 7 bonds, 9 residues, 1 model selected 
    7050 
    7051 > select add #6/A:187@SG
    7052 
    7053 17 atoms, 7 bonds, 10 residues, 1 model selected 
    7054 
    7055 > bond sel
    7056 
    7057 Created 0 bonds 
    7058 
    7059 > select clear
    7060 
    7061 > select add #6/A:135@SG
    7062 
    7063 1 atom, 1 residue, 1 model selected 
    7064 
    7065 > select add #6/A:187@SG
    7066 
    7067 2 atoms, 2 residues, 1 model selected 
    7068 
    7069 > bond sel
    7070 
    7071 Created 1 bond 
    7072 
    7073 > select clear
    7074 
    7075 > select add #6/A:186@SG
    7076 
    7077 1 atom, 1 residue, 1 model selected 
    7078 
    7079 > select add #6/A:181@SG
    7080 
    7081 2 atoms, 2 residues, 1 model selected 
    7082 
    7083 > bond sel
    7084 
    7085 Created 1 bond 
    7086 
    7087 > select add #6/A:170@SG
    7088 
    7089 3 atoms, 3 residues, 1 model selected 
    7090 
    7091 > select clear
    7092 
    7093 > select add #6/A:170@SG
    7094 
    7095 1 atom, 1 residue, 1 model selected 
    7096 
    7097 > select add #6/A:156@SG
    7098 
    7099 2 atoms, 2 residues, 1 model selected 
    7100 
    7101 > bond sel
    7102 
    7103 Created 1 bond 
    7104 
    7105 > select clear
    7106 
    7107 > select add #6/A:288@SG
    7108 
    7109 1 atom, 1 residue, 1 model selected 
    7110 
    7111 > select add #6/A:300@SG
    7112 
    7113 2 atoms, 2 residues, 1 model selected 
    7114 
    7115 > bond sel
    7116 
    7117 Created 1 bond 
    7118 
    7119 > select clear
    7120 
    7121 > select add #6/A:316@SG
    7122 
    7123 1 atom, 1 residue, 1 model selected 
    7124 
    7125 > select add #6/A:302@SG
    7126 
    7127 2 atoms, 2 residues, 1 model selected 
    7128 
    7129 > bond sel
    7130 
    7131 Created 1 bond 
    7132 
    7133 > select clear
    7134 
    7135 > select add #6/A:286@SG
    7136 
    7137 1 atom, 1 residue, 1 model selected 
    7138 
    7139 > select add #6/A:263@SG
    7140 
    7141 2 atoms, 2 residues, 1 model selected 
    7142 
    7143 > bond sel
    7144 
    7145 Created 1 bond 
    7146 
    7147 > select clear
    7148 
    7149 > select add #6/A:345@SG
    7150 
    7151 1 atom, 1 residue, 1 model selected 
    7152 
    7153 > select clear
    7154 
    7155 > select add #6/A:345@SG
    7156 
    7157 1 atom, 1 residue, 1 model selected 
    7158 
    7159 > select add #6/A:331@SG
    7160 
    7161 2 atoms, 2 residues, 1 model selected 
    7162 
    7163 > bond sel
    7164 
    7165 Created 1 bond 
    7166 
    7167 > select clear
    7168 
    7169 > select add #6/A:336@SG
    7170 
    7171 1 atom, 1 residue, 1 model selected 
    7172 
    7173 > select add #6/A:322@SG
    7174 
    7175 2 atoms, 2 residues, 1 model selected 
    7176 
    7177 > bond sel
    7178 
    7179 Created 1 bond 
    7180 
    7181 > select clear
    7182 
    7183 > select add #6/A:83
    7184 
    7185 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7186 
    7187 > select add #6/A:82
    7188 
    7189 15 atoms, 14 bonds, 2 residues, 1 model selected 
    7190 
    7191 > select subtract #6/A:83
    7192 
    7193 7 atoms, 7 bonds, 1 residue, 1 model selected 
    7194 
    7195 > select add #6/A:1
    7196 
    7197 18 atoms, 17 bonds, 2 residues, 1 model selected 
    7198 
    7199 > select #6/A:82
    7200 
    7201 7 atoms, 7 bonds, 1 residue, 1 model selected 
    7202 
    7203 > select #6/A:1-82
    7204 
    7205 635 atoms, 655 bonds, 82 residues, 1 model selected 
    7206 
    7207 > color sel dark sea green target ac
    7208 
    7209 > select clear
    7210 
    7211 > select add #6/A:247
    7212 
    7213 14 atoms, 15 bonds, 1 residue, 1 model selected 
    7214 
    7215 > select add #6/A:248
    7216 
    7217 25 atoms, 26 bonds, 2 residues, 1 model selected 
    7218 
    7219 > select add #6/A:220
    7220 
    7221 33 atoms, 33 bonds, 3 residues, 1 model selected 
    7222 
    7223 > select #6/A:220
    7224 
    7225 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7226 
    7227 > select #6/A:220-263
    7228 
    7229 348 atoms, 355 bonds, 44 residues, 1 model selected 
    7230 
    7231 > select #6/A:248
    7232 
    7233 11 atoms, 11 bonds, 1 residue, 1 model selected 
    7234 
    7235 > select #6/A:248
    7236 
    7237 11 atoms, 11 bonds, 1 residue, 1 model selected 
    7238 
    7239 > select #6/A:248
    7240 
    7241 11 atoms, 11 bonds, 1 residue, 1 model selected 
    7242 
    7243 > select #6/A:220-248
    7244 
    7245 231 atoms, 236 bonds, 29 residues, 1 model selected 
    7246 
    7247 > color sel forest green target ac
    7248 
    7249 > select clear
    7250 
    7251 > select add #6/A:249
    7252 
    7253 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7254 
    7255 > select #6/A:250
    7256 
    7257 10 atoms, 10 bonds, 1 residue, 1 model selected 
    7258 
    7259 > select #6/A:250-350
    7260 
    7261 793 atoms, 818 bonds, 101 residues, 1 model selected 
    7262 
    7263 > select #6/A:249
    7264 
    7265 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7266 
    7267 > select #6/A:249-350
    7268 
    7269 801 atoms, 826 bonds, 102 residues, 1 model selected 
    7270 
    7271 > color sel light steel blue target ac
    7272 
    7273 > select clear
    7274 
    7275 > select add #6/A:219
    7276 
    7277 7 atoms, 6 bonds, 1 residue, 1 model selected 
    7278 
    7279 > select add #6/A:113
    7280 
    7281 14 atoms, 12 bonds, 2 residues, 1 model selected 
    7282 
    7283 > select #6/A:219
    7284 
    7285 7 atoms, 6 bonds, 1 residue, 1 model selected 
    7286 
    7287 > select #6/A:113-219
    7288 
    7289 808 atoms, 823 bonds, 107 residues, 1 model selected 
    7290 
    7291 > color sel dark khaki target ac
    7292 
    7293 > select clear
    7294 
    7295 > select ::name="CYS"
    7296 
    7297 660 atoms, 608 bonds, 110 residues, 6 models selected 
    7298 
    7299 > color (#6 & sel) byhetero
    7300 
    7301 > select clear
    7302 
    7303 > select add #6/A:88
    7304 
    7305 6 atoms, 5 bonds, 1 residue, 1 model selected 
    7306 
    7307 > color sel byhetero
    7308 
    7309 > select clear
    7310 
    7311 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    7312 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Rlm9.png" width
    7313 > 900 height 739 supersample 4 transparentBackground true
    7314 
    7315 > select clear
    7316 
    7317 > color bfactor palette
    7318 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue
    7319 
    7320 13680 atoms, 1773 residues, atom bfactor range 32.5 to 191 
    7321 
    7322 > select clear
    7323 
    7324 > hide #6 atoms
    7325 
    7326 > select clear
    7327 
    7328 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    7329 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Rlm9-pLDDT.png"
    7330 > width 900 height 739 supersample 4 transparentBackground true
    7331 
    7332 > hide #6 models
    7333 
    7334 > open
    7335 > /Users/u6290062/Downloads/Htn1_00234/Htn1_00234_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb
    7336 
    7337 Chain information for
    7338 Htn1_00234_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #7 
    7339 --- 
    7340 Chain | Description 
    7341 A | No description available 
    7342  
    7343 Computing secondary structure 
    7344 
    7345 > color #7 white
    7346 
    7347 > select clear
    7348 
    7349 > select #7/A:20
    7350 
    7351 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7352 Alignment identifier is 7/A 
    7353 
    7354 > select #7/A:20
    7355 
    7356 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7357 
    7358 > select #7/A:1-20
    7359 
    7360 148 atoms, 156 bonds, 20 residues, 1 model selected 
    7361 
    7362 > hide sel cartoons
    7363 
    7364 > select clear
    7365 
    7366 > color #2 #8efa00ff
    7367 
    7368 > show #2 models
    7369 
    7370 > select clear
    7371 
    7372 > ui tool show Matchmaker
    7373 
    7374 > matchmaker #2 to #7
    7375 
    7376 Parameters 
    7377 --- 
    7378 Chain pairing | bb 
    7379 Alignment algorithm | Needleman-Wunsch 
    7380 Similarity matrix | BLOSUM-62 
    7381 SS fraction | 0.3 
    7382 Gap open (HH/SS/other) | 18/18/6 
    7383 Gap extend | 1 
    7384 SS matrix |  |  | H | S | O 
    7385 ---|---|---|--- 
    7386 H | 6 | -9 | -6 
    7387 S |  | 6 | -6 
    7388 O |  |  | 4 
    7389 Iteration cutoff | 2 
    7390  
    7391 Matchmaker Htn1_00234_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb,
    7392 chain A (#7) with stb6.pdb, chain A (#2), sequence alignment score = 103.3 
    7393 RMSD between 69 pruned atom pairs is 0.971 angstroms; (across all 182 pairs:
    7394 9.215) 
    7395  
    7396 
    7397 > select add #7/A:64
    7398 
    7399 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7400 
    7401 > select add #7/A:63
    7402 
    7403 16 atoms, 14 bonds, 2 residues, 1 model selected 
    7404 
    7405 > select add #7/A:62
    7406 
    7407 23 atoms, 20 bonds, 3 residues, 1 model selected 
    7408 
    7409 > setattr #7:62-64 res ss_type 2
    7410 
    7411 Assigning ss_type attribute to 3 items 
    7412 
    7413 > select clear
    7414 
    7415 > select add #7/A:45
    7416 
    7417 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7418 
    7419 > select add #7/A:43
    7420 
    7421 19 atoms, 18 bonds, 2 residues, 1 model selected 
    7422 
    7423 > setattr #7:43-45 res ss_type 2
    7424 
    7425 Assigning ss_type attribute to 3 items 
    7426 
    7427 > select clear
    7428 
    7429 > hide #2 models
    7430 
    7431 > select ::name="CYS"
    7432 
    7433 744 atoms, 678 bonds, 124 residues, 7 models selected 
    7434 
    7435 > show sel & #7 atoms
    7436 
    7437 > color (#7 & sel) byhetero
    7438 
    7439 > select clear
    7440 
    7441 > select add #7/A:281@SG
    7442 
    7443 1 atom, 1 residue, 1 model selected 
    7444 
    7445 > select add #7/A:271@SG
    7446 
    7447 2 atoms, 2 residues, 1 model selected 
    7448 
    7449 > bond sel
    7450 
    7451 Created 1 bond 
    7452 
    7453 > select add #7/A:269@SG
    7454 
    7455 3 atoms, 3 residues, 1 model selected 
    7456 
    7457 > select add #7/A:249@SG
    7458 
    7459 4 atoms, 4 residues, 1 model selected 
    7460 
    7461 > select add #7/A:258@SG
    7462 
    7463 5 atoms, 5 residues, 1 model selected 
    7464 
    7465 > select add #7/A:246@SG
    7466 
    7467 6 atoms, 6 residues, 1 model selected 
    7468 
    7469 > select add #7/A:29@SG
    7470 
    7471 7 atoms, 7 residues, 1 model selected 
    7472 
    7473 > select add #7/A:59@SG
    7474 
    7475 8 atoms, 8 residues, 1 model selected 
    7476 
    7477 > bond sel
    7478 
    7479 Created 3 bonds 
    7480 
    7481 > select clear
    7482 
    7483 > select add #7/A:34@SG
    7484 
    7485 1 atom, 1 residue, 1 model selected 
    7486 
    7487 > select add #7/A:68@SG
    7488 
    7489 2 atoms, 2 residues, 1 model selected 
    7490 
    7491 > bond sel
    7492 
    7493 Created 1 bond 
    7494 
    7495 > select add #7/A:281
    7496 
    7497 8 atoms, 5 bonds, 3 residues, 1 model selected 
    7498 
    7499 > select #7/A:31
    7500 
    7501 6 atoms, 5 bonds, 1 residue, 1 model selected 
    7502 
    7503 > select #7/A:1-31
    7504 
    7505 225 atoms, 235 bonds, 31 residues, 1 model selected 
    7506 
    7507 > hide sel cartoons
    7508 
    7509 > select clear
    7510 
    7511 > select #7/A:31
    7512 
    7513 6 atoms, 5 bonds, 1 residue, 1 model selected 
    7514 
    7515 > select #7/A:1-31
    7516 
    7517 225 atoms, 235 bonds, 31 residues, 1 model selected 
    7518 
    7519 > show sel cartoons
    7520 
    7521 > select clear
    7522 
    7523 > select add #7/A:26
    7524 
    7525 5 atoms, 4 bonds, 1 residue, 1 model selected 
    7526 
    7527 > select add #7/A:27
    7528 
    7529 11 atoms, 9 bonds, 2 residues, 1 model selected 
    7530 
    7531 > select add #7/A:28
    7532 
    7533 19 atoms, 16 bonds, 3 residues, 1 model selected 
    7534 
    7535 > select add #7/A:29
    7536 
    7537 25 atoms, 21 bonds, 4 residues, 1 model selected 
    7538 
    7539 > select clear
    7540 
    7541 > select add #7/A:199@SG
    7542 
    7543 1 atom, 1 residue, 1 model selected 
    7544 
    7545 > select add #7/A:148@SG
    7546 
    7547 2 atoms, 2 residues, 1 model selected 
    7548 
    7549 > select add #7/A:117@SG
    7550 
    7551 3 atoms, 1 bond, 3 residues, 1 model selected 
    7552 
    7553 > bond sel
    7554 
    7555 Created 1 bond 
    7556 
    7557 > select clear
    7558 
    7559 > select #7/A:117@SG
    7560 
    7561 1 atom, 1 residue, 1 model selected 
    7562 
    7563 > select add #7/A:166@SG
    7564 
    7565 2 atoms, 2 residues, 1 model selected 
    7566 
    7567 > bond sel
    7568 
    7569 Created 1 bond 
    7570 
    7571 > select clear
    7572 
    7573 > select add #7/A:26
    7574 
    7575 5 atoms, 4 bonds, 1 residue, 1 model selected 
    7576 
    7577 > select add #7/A:28
    7578 
    7579 13 atoms, 11 bonds, 2 residues, 1 model selected 
    7580 
    7581 > select add #7/A:29
    7582 
    7583 19 atoms, 16 bonds, 3 residues, 1 model selected 
    7584 
    7585 > setattr #2/A:26-29 res ss_type 0
    7586 
    7587 Assigning ss_type attribute to 4 items 
    7588 
    7589 > setattr #7:26-29 res ss_type 0
    7590 
    7591 Assigning ss_type attribute to 4 items 
    7592 
    7593 > select clear
    7594 
    7595 > select add #7/A:1
    7596 
    7597 10 atoms, 10 bonds, 1 residue, 1 model selected 
    7598 
    7599 > select add #7/A:27
    7600 
    7601 16 atoms, 15 bonds, 2 residues, 1 model selected 
    7602 
    7603 > select #7/A:27
    7604 
    7605 6 atoms, 5 bonds, 1 residue, 1 model selected 
    7606 
    7607 > select #7/A:1-27
    7608 
    7609 199 atoms, 209 bonds, 27 residues, 1 model selected 
    7610 
    7611 > hide sel cartoons
    7612 
    7613 > select clear
    7614 
    7615 > select add #7/A:282
    7616 
    7617 9 atoms, 8 bonds, 1 residue, 1 model selected 
    7618 
    7619 > select add #7/A:291
    7620 
    7621 13 atoms, 11 bonds, 2 residues, 1 model selected 
    7622 
    7623 > select #7/A:282-283
    7624 
    7625 16 atoms, 16 bonds, 2 residues, 1 model selected 
    7626 
    7627 > select #7/A:282-291
    7628 
    7629 81 atoms, 81 bonds, 10 residues, 1 model selected 
    7630 
    7631 > hide sel cartoons
    7632 
    7633 > select clear
    7634 
    7635 > select add #7/A:86
    7636 
    7637 4 atoms, 3 bonds, 1 residue, 1 model selected 
    7638 
    7639 > select #7/A:86
    7640 
    7641 4 atoms, 3 bonds, 1 residue, 1 model selected 
    7642 
    7643 > select #7/A:1-86
    7644 
    7645 655 atoms, 682 bonds, 86 residues, 1 model selected 
    7646 
    7647 > color sel dark sea green target ac
    7648 
    7649 > select clear
    7650 
    7651 > select add #7/A:208
    7652 
    7653 11 atoms, 10 bonds, 1 residue, 1 model selected 
    7654 
    7655 > select add #7/A:238
    7656 
    7657 25 atoms, 25 bonds, 2 residues, 1 model selected 
    7658 
    7659 > select #7/A:208
    7660 
    7661 11 atoms, 10 bonds, 1 residue, 1 model selected 
    7662 
    7663 > select #7/A:208-238
    7664 
    7665 256 atoms, 260 bonds, 31 residues, 1 model selected 
    7666 
    7667 > color sel forest green target ac
    7668 
    7669 > select clear
    7670 
    7671 > select add #7/A:239
    7672 
    7673 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7674 
    7675 > select #7/A:239
    7676 
    7677 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7678 
    7679 > select #7/A:239-291
    7680 
    7681 391 atoms, 400 bonds, 53 residues, 1 model selected 
    7682 
    7683 > color sel light steel blue target ac
    7684 
    7685 > select clear
    7686 
    7687 > select add #7/A:208
    7688 
    7689 11 atoms, 10 bonds, 1 residue, 1 model selected 
    7690 
    7691 > select add #7/A:139
    7692 
    7693 22 atoms, 21 bonds, 2 residues, 1 model selected 
    7694 
    7695 > select #7/A:139-140
    7696 
    7697 19 atoms, 19 bonds, 2 residues, 1 model selected 
    7698 
    7699 > select #7/A:139-208
    7700 
    7701 558 atoms, 577 bonds, 70 residues, 1 model selected 
    7702 
    7703 > color sel dark khaki target ac
    7704 
    7705 > select clear
    7706 
    7707 > select ::name="CYS"
    7708 
    7709 744 atoms, 685 bonds, 124 residues, 7 models selected 
    7710 
    7711 > color (#7 & sel) byhetero
    7712 
    7713 > select clear
    7714 
    7715 > select ::name="ASN"
    7716 
    7717 1000 atoms, 881 bonds, 125 residues, 7 models selected 
    7718 
    7719 > select clear
    7720 
    7721 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    7722 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Htn1.png" width
    7723 > 900 height 739 supersample 4 transparentBackground true
    7724 
    7725 > color bfactor palette
    7726 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue
    7727 
    7728 15930 atoms, 2064 residues, atom bfactor range 32.5 to 191 
    7729 
    7730 > select clear
    7731 
    7732 > hide #7 atoms
    7733 
    7734 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    7735 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Htn1-pLDDT.png"
    7736 > width 900 height 739 supersample 4 transparentBackground true
    7737 
    7738 > select clear
    7739 
    7740 > hide #7 models
    7741 
    7742 > open
    7743 > /Users/u6290062/Downloads/ghwak7A_70d62/ghwak7A_70d62_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb
    7744 
    7745 Chain information for
    7746 ghwak7A_70d62_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb #8 
    7747 --- 
    7748 Chain | Description 
    7749 A | No description available 
    7750  
    7751 Computing secondary structure 
    7752 
    7753 > open
    7754 > /Users/u6290062/Downloads/SlWAK1_f88fd/SlWAK1_f88fd_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb
    7755 
    7756 Chain information for
    7757 SlWAK1_f88fd_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb #9 
    7758 --- 
    7759 Chain | Description 
    7760 A | No description available 
    7761  
    7762 Computing secondary structure 
    7763 
    7764 > hide #8 models
    7765 
    7766 > hide #9 models
    7767 
    7768 > open
    7769 > /Users/u6290062/Downloads/rfo1_1159a_0/rfo1_1159a_0_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb
    7770 
    7771 Chain information for
    7772 rfo1_1159a_0_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #10 
    7773 --- 
    7774 Chain | Description 
    7775 A | No description available 
    7776  
    7777 Computing secondary structure 
    7778 
    7779 > hide #10 models
    7780 
    7781 > open
    7782 > /Users/u6290062/Downloads/BrWAK1_96657/BrWAK1_96657_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb
    7783 
    7784 Chain information for
    7785 BrWAK1_96657_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb #11 
    7786 --- 
    7787 Chain | Description 
    7788 A | No description available 
    7789  
    7790 Computing secondary structure 
    7791 
    7792 > hide #11 models
    7793 
    7794 > open
    7795 > /Users/u6290062/Downloads/AtWAK1_f4e1e/AtWAK1_f4e1e_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb
    7796 
    7797 Chain information for
    7798 AtWAK1_f4e1e_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb #12 
    7799 --- 
    7800 Chain | Description 
    7801 A | No description available 
    7802  
    7803 Computing secondary structure 
    7804 
    7805 > hide #12 models
    7806 
    7807 > open
    7808 > /Users/u6290062/Downloads/OsWAK1_3328c/OsWAK1_3328c_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb
    7809 
    7810 Chain information for
    7811 OsWAK1_3328c_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb #13 
    7812 --- 
    7813 Chain | Description 
    7814 A | No description available 
    7815  
    7816 Computing secondary structure 
    7817 
    7818 > hide #13 models
    7819 
    7820 > open
    7821 > /Users/u6290062/Downloads/OsDEES1_24a01/OsDEES1_24a01_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb
    7822 
    7823 Chain information for
    7824 OsDEES1_24a01_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb #14 
    7825 --- 
    7826 Chain | Description 
    7827 A | No description available 
    7828  
    7829 Computing secondary structure 
    7830 
    7831 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    7832 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/Immunity-
    7833 > WAKs.cxs" includeMaps true
    7834 
    7835 > hide #14 models
    7836 
    7837 > show #2 models
    7838 
    7839 > select add #2/A:79
    7840 
    7841 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7842 
    7843 > select add #2/A:80
    7844 
    7845 16 atoms, 14 bonds, 2 residues, 1 model selected 
    7846 
    7847 > select subtract #2/A:79
    7848 
    7849 8 atoms, 7 bonds, 1 residue, 1 model selected 
    7850 
    7851 > select add #2/A:201
    7852 
    7853 12 atoms, 10 bonds, 2 residues, 1 model selected 
    7854 
    7855 > select #2/A:80-81
    7856 
    7857 19 atoms, 18 bonds, 2 residues, 1 model selected 
    7858 
    7859 > select #2/A:80-201
    7860 
    7861 946 atoms, 969 bonds, 122 residues, 1 model selected 
    7862 
    7863 > hide sel cartoons
    7864 
    7865 > select clear
    7866 
    7867 > hide #2 atoms
    7868 
    7869 > select clear
    7870 
    7871 > select #2/A:6-7
    7872 
    7873 12 atoms, 11 bonds, 2 residues, 1 model selected 
    7874 
    7875 > select #2/A:6-79
    7876 
    7877 559 atoms, 577 bonds, 74 residues, 1 model selected 
    7878 
    7879 > select #2/A:6-79,202-206
    7880 
    7881 609 atoms, 629 bonds, 79 residues, 1 model selected 
    7882 
    7883 > show sel atoms
    7884 
    7885 > select subtract #2/A:23
    7886 
    7887 595 atoms, 612 bonds, 78 residues, 1 model selected 
    7888 
    7889 > select add #2/A:23
    7890 
    7891 609 atoms, 627 bonds, 79 residues, 1 model selected 
    7892 
    7893 > select subtract #2/A:22
    7894 
    7895 598 atoms, 615 bonds, 78 residues, 1 model selected 
    7896 
    7897 > select subtract #2/A:43
    7898 
    7899 590 atoms, 606 bonds, 77 residues, 1 model selected 
    7900 
    7901 > select subtract #2/A:52
    7902 
    7903 582 atoms, 597 bonds, 76 residues, 1 model selected 
    7904 
    7905 > select add #2/A:52
    7906 
    7907 590 atoms, 604 bonds, 77 residues, 1 model selected 
    7908 
    7909 > select subtract #2/A:53
    7910 
    7911 582 atoms, 596 bonds, 76 residues, 1 model selected 
    7912 
    7913 > select add #2/A:53
    7914 
    7915 590 atoms, 603 bonds, 77 residues, 1 model selected 
    7916 
    7917 > select subtract #2/A:75
    7918 
    7919 582 atoms, 594 bonds, 76 residues, 1 model selected 
    7920 
    7921 > select subtract #2/A:206@CB
    7922 
    7923 581 atoms, 592 bonds, 76 residues, 1 model selected 
    7924 
    7925 > select add #2/A:206@CB
    7926 
    7927 582 atoms, 592 bonds, 76 residues, 1 model selected 
    7928 
    7929 > select subtract #2/A:18
    7930 
    7931 574 atoms, 584 bonds, 75 residues, 1 model selected 
    7932 
    7933 > select add #2/A:18
    7934 
    7935 582 atoms, 591 bonds, 76 residues, 1 model selected 
    7936 
    7937 > select clear
    7938 
    7939 > select add #2/A:22
    7940 
    7941 11 atoms, 11 bonds, 1 residue, 1 model selected 
    7942 
    7943 > select add #2/A:206
    7944 
    7945 25 atoms, 26 bonds, 2 residues, 1 model selected 
    7946 
    7947 > select add #2/A:42
    7948 
    7949 34 atoms, 34 bonds, 3 residues, 1 model selected 
    7950 
    7951 > select add #2/A:41
    7952 
    7953 45 atoms, 45 bonds, 4 residues, 1 model selected 
    7954 
    7955 > select add #2/A:43
    7956 
    7957 53 atoms, 52 bonds, 5 residues, 1 model selected 
    7958 
    7959 > select subtract #2/A:42@CB
    7960 
    7961 52 atoms, 50 bonds, 5 residues, 1 model selected 
    7962 
    7963 > select subtract #2/A:42@OE1
    7964 
    7965 51 atoms, 48 bonds, 5 residues, 1 model selected 
    7966 
    7967 > select subtract #2/A:42@OE2
    7968 
    7969 50 atoms, 47 bonds, 5 residues, 1 model selected 
    7970 
    7971 > select add #2/A:52
    7972 
    7973 58 atoms, 54 bonds, 6 residues, 1 model selected 
    7974 
    7975 > select subtract #2/A:52
    7976 
    7977 50 atoms, 47 bonds, 5 residues, 1 model selected 
    7978 
    7979 > select add #2/A:53
    7980 
    7981 58 atoms, 54 bonds, 6 residues, 1 model selected 
    7982 
    7983 > select add #2/A:65
    7984 
    7985 66 atoms, 61 bonds, 7 residues, 1 model selected 
    7986 
    7987 > select add #2/A:75
    7988 
    7989 74 atoms, 68 bonds, 8 residues, 1 model selected 
    7990 
    7991 > select add #2/A:68
    7992 
    7993 82 atoms, 75 bonds, 9 residues, 1 model selected 
    7994 
    7995 > select add #2/A:18
    7996 
    7997 90 atoms, 82 bonds, 10 residues, 1 model selected 
    7998 
    7999 > select add #2/A:51
    8000 
    8001 97 atoms, 89 bonds, 11 residues, 1 model selected 
    8002 
    8003 > select ~sel & ##selected
    8004 
    8005 1525 atoms, 1580 bonds, 196 residues, 1 model selected 
    8006 
    8007 > hide sel atoms
    8008 
    8009 > select clear
    8010 
    8011 > color #2 byhetero
    8012 
    8013 > select clear
    8014 
    8015 > show #2 cartoons
    8016 
    8017 > select clear
    8018 
    8019 > show #2 atoms
    8020 
    8021 > hide #2 atoms
    8022 
    8023 > color #2 #ebebebff
    8024 
    8025 > select clear
    8026 
    8027 > show #2 surfaces
    8028 
    8029 > hide #!2 surfaces
    8030 
    8031 > select clear
    8032 
    8033 > show #10 models
    8034 
    8035 > hide #10 models
    8036 
    8037 > show #11 models
    8038 
    8039 > hide #11 models
    8040 
    8041 > show #8 models
    8042 
    8043 > hide #8 models
    8044 
    8045 > show #9 models
    8046 
    8047 > hide #9 models
    8048 
    8049 > show #10 models
    8050 
    8051 > hide #10 models
    8052 
    8053 > show #13 models
    8054 
    8055 > show #14 models
    8056 
    8057 > hide #14 models
    8058 
    8059 > select clear
    8060 
    8061 > ui tool show Matchmaker
    8062 
    8063 > matchmaker #13 to #2
    8064 
    8065 Parameters 
    8066 --- 
    8067 Chain pairing | bb 
    8068 Alignment algorithm | Needleman-Wunsch 
    8069 Similarity matrix | BLOSUM-62 
    8070 SS fraction | 0.3 
    8071 Gap open (HH/SS/other) | 18/18/6 
    8072 Gap extend | 1 
    8073 SS matrix |  |  | H | S | O 
    8074 ---|---|---|--- 
    8075 H | 6 | -9 | -6 
    8076 S |  | 6 | -6 
    8077 O |  |  | 4 
    8078 Iteration cutoff | 2 
    8079  
    8080 Matchmaker stb6.pdb, chain A (#2) with
    8081 OsWAK1_3328c_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb, chain A
    8082 (#13), sequence alignment score = 203.4 
    8083 RMSD between 88 pruned atom pairs is 1.029 angstroms; (across all 174 pairs:
    8084 5.037) 
    8085  
    8086 
    8087 > select clear
    8088 
    8089 > select add #13/A:41
    8090 
    8091 7 atoms, 7 bonds, 1 residue, 1 model selected 
    8092 
    8093 > select add #13/A:42
    8094 
    8095 12 atoms, 11 bonds, 2 residues, 1 model selected 
    8096 
    8097 > select add #13/A:43
    8098 
    8099 23 atoms, 22 bonds, 3 residues, 1 model selected 
    8100 
    8101 > setattr #13:41-43 res ss_type 2
    8102 
    8103 Assigning ss_type attribute to 3 items 
    8104 
    8105 > select clear
    8106 
    8107 > hide #!2 models
    8108 
    8109 > select clear
    8110 
    8111 > select add #13/A:77
    8112 
    8113 11 atoms, 10 bonds, 1 residue, 1 model selected 
    8114 
    8115 > select add #13/A:76
    8116 
    8117 20 atoms, 18 bonds, 2 residues, 1 model selected 
    8118 
    8119 > select #13/A:77
    8120 
    8121 11 atoms, 10 bonds, 1 residue, 1 model selected 
    8122 
    8123 > select #13/A:77
    8124 
    8125 11 atoms, 10 bonds, 1 residue, 1 model selected 
    8126 
    8127 > select #13/A:76
    8128 
    8129 9 atoms, 8 bonds, 1 residue, 1 model selected 
    8130 
    8131 > select add #13/A:96
    8132 
    8133 17 atoms, 15 bonds, 2 residues, 1 model selected 
    8134 
    8135 > setattr #13:76-96 res ss_type 0
    8136 
    8137 Assigning ss_type attribute to 21 items 
    8138 
    8139 > select clear
    8140 
    8141 > select add #13/A:175
    8142 
    8143 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8144 
    8145 > select add #13/A:174
    8146 
    8147 13 atoms, 11 bonds, 2 residues, 1 model selected 
    8148 
    8149 > select add #13/A:173
    8150 
    8151 20 atoms, 18 bonds, 3 residues, 1 model selected 
    8152 
    8153 > setattr #13:173-175 res ss_type 0
    8154 
    8155 Assigning ss_type attribute to 3 items 
    8156 
    8157 > select clear
    8158 
    8159 > select ::name="GLN"
    8160 
    8161 954 atoms, 853 bonds, 106 residues, 14 models selected 
    8162 
    8163 > select ::name="CYS"
    8164 
    8165 1644 atoms, 1440 bonds, 274 residues, 14 models selected 
    8166 
    8167 > show sel & #13 atoms
    8168 
    8169 > select clear
    8170 
    8171 > select add #13/A:86@SG
    8172 
    8173 1 atom, 1 residue, 1 model selected 
    8174 
    8175 > select add #13/A:135@SG
    8176 
    8177 2 atoms, 2 residues, 1 model selected 
    8178 
    8179 > select add #13/A:160@SG
    8180 
    8181 3 atoms, 3 residues, 1 model selected 
    8182 
    8183 > select add #13/A:116@SG
    8184 
    8185 4 atoms, 4 residues, 1 model selected 
    8186 
    8187 > bond sel
    8188 
    8189 Created 2 bonds 
    8190 
    8191 > select clear
    8192 
    8193 > select add #13/A:47@SG
    8194 
    8195 1 atom, 1 residue, 1 model selected 
    8196 
    8197 > select add #13/A:7@SG
    8198 
    8199 2 atoms, 2 residues, 1 model selected 
    8200 
    8201 > bond sel
    8202 
    8203 Created 1 bond 
    8204 
    8205 > select add #13/A:2@SG
    8206 
    8207 3 atoms, 3 residues, 1 model selected 
    8208 
    8209 > select add #13/A:38@SG
    8210 
    8211 4 atoms, 4 residues, 1 model selected 
    8212 
    8213 > bond sel
    8214 
    8215 Created 1 bond 
    8216 
    8217 > select clear
    8218 
    8219 > select add #13/A:236@SG
    8220 
    8221 1 atom, 1 residue, 1 model selected 
    8222 
    8223 > select add #13/A:226@SG
    8224 
    8225 2 atoms, 2 residues, 1 model selected 
    8226 
    8227 > bond sel
    8228 
    8229 Created 1 bond 
    8230 
    8231 > select add #13/A:205@SG
    8232 
    8233 3 atoms, 3 residues, 1 model selected 
    8234 
    8235 > select add #13/A:224@SG
    8236 
    8237 4 atoms, 4 residues, 1 model selected 
    8238 
    8239 > bond sel
    8240 
    8241 Created 1 bond 
    8242 
    8243 > select add #13/A:202@SG
    8244 
    8245 5 atoms, 5 residues, 1 model selected 
    8246 
    8247 > select subtract #13/A:202@SG
    8248 
    8249 4 atoms, 4 residues, 1 model selected 
    8250 
    8251 > select add #13/A:202@SG
    8252 
    8253 5 atoms, 5 residues, 1 model selected 
    8254 
    8255 > select add #13/A:212@SG
    8256 
    8257 6 atoms, 6 residues, 1 model selected 
    8258 
    8259 > bond sel
    8260 
    8261 Created 1 bond 
    8262 
    8263 > select clear
    8264 
    8265 > select add #13/A:194
    8266 
    8267 14 atoms, 15 bonds, 1 residue, 1 model selected 
    8268 
    8269 > select add #13/A:168
    8270 
    8271 22 atoms, 22 bonds, 2 residues, 1 model selected 
    8272 Alignment identifier is 13/A 
    8273 
    8274 > select #13/A:168
    8275 
    8276 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8277 
    8278 > select #13/A:168-194
    8279 
    8280 218 atoms, 227 bonds, 27 residues, 1 model selected 
    8281 
    8282 > color sel forest green target ac
    8283 
    8284 > select clear
    8285 
    8286 > select add #13/A:75
    8287 
    8288 10 atoms, 10 bonds, 1 residue, 1 model selected 
    8289 
    8290 > select add #13/A:76
    8291 
    8292 19 atoms, 18 bonds, 2 residues, 1 model selected 
    8293 
    8294 > select subtract #13/A:75
    8295 
    8296 9 atoms, 8 bonds, 1 residue, 1 model selected 
    8297 
    8298 > select add #13/A:107
    8299 
    8300 17 atoms, 15 bonds, 2 residues, 1 model selected 
    8301 
    8302 > select #13/A:76
    8303 
    8304 9 atoms, 8 bonds, 1 residue, 1 model selected 
    8305 
    8306 > select #13/A:76-107
    8307 
    8308 230 atoms, 232 bonds, 32 residues, 1 model selected 
    8309 
    8310 > color sel light gray target ac
    8311 
    8312 > select clear
    8313 
    8314 > select add #13/A:108
    8315 
    8316 11 atoms, 10 bonds, 1 residue, 1 model selected 
    8317 
    8318 > select add #13/A:166
    8319 
    8320 18 atoms, 17 bonds, 2 residues, 1 model selected 
    8321 
    8322 > select subtract #13/A:166
    8323 
    8324 11 atoms, 10 bonds, 1 residue, 1 model selected 
    8325 
    8326 > select add #13/A:167
    8327 
    8328 18 atoms, 16 bonds, 2 residues, 1 model selected 
    8329 
    8330 > select #13/A:108
    8331 
    8332 11 atoms, 10 bonds, 1 residue, 1 model selected 
    8333 
    8334 > select #13/A:108-167
    8335 
    8336 453 atoms, 466 bonds, 60 residues, 1 model selected 
    8337 
    8338 > color sel dark khaki target ac
    8339 
    8340 > select clear
    8341 
    8342 > select add #13/A:195
    8343 
    8344 9 atoms, 8 bonds, 1 residue, 1 model selected 
    8345 
    8346 > select #13/A:195
    8347 
    8348 9 atoms, 8 bonds, 1 residue, 1 model selected 
    8349 
    8350 > select #13/A:195-243
    8351 
    8352 348 atoms, 354 bonds, 49 residues, 1 model selected 
    8353 
    8354 > color sel light steel blue target ac
    8355 
    8356 > select clear
    8357 
    8358 > select add #13/A:75
    8359 
    8360 10 atoms, 10 bonds, 1 residue, 1 model selected 
    8361 
    8362 > select #13/A:74-75
    8363 
    8364 15 atoms, 15 bonds, 2 residues, 1 model selected 
    8365 
    8366 > select #13/A:1-75
    8367 
    8368 555 atoms, 573 bonds, 75 residues, 1 model selected 
    8369 
    8370 > color sel dark sea green target ac
    8371 
    8372 > select clear
    8373 
    8374 > select ::name="CYS"
    8375 
    8376 1644 atoms, 1447 bonds, 274 residues, 14 models selected 
    8377 
    8378 > color (#13 & sel) byhetero
    8379 
    8380 > select clear
    8381 
    8382 > select #13/A:195
    8383 
    8384 9 atoms, 8 bonds, 1 residue, 1 model selected 
    8385 
    8386 > color sel forest green target ac
    8387 
    8388 > select clear
    8389 
    8390 > select ::name="ASN"
    8391 
    8392 2336 atoms, 2057 bonds, 292 residues, 14 models selected 
    8393 
    8394 > select clear
    8395 
    8396 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    8397 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/OsWAK1.png"
    8398 > width 900 height 739 supersample 4 transparentBackground true
    8399 
    8400 > select clear
    8401 
    8402 > color bfactor palette
    8403 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue
    8404 
    8405 32381 atoms, 4250 residues, 1 surfaces, atom bfactor range 28.5 to 191 
    8406 
    8407 > hide #13 atoms
    8408 
    8409 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    8410 > AustralianNationalUniversity/Documents/Figures/Immunity
    8411 > WAKs/OsWAK1-pLDDT.png" width 900 height 739 supersample 4
    8412 > transparentBackground true
    8413 
    8414 > hide #13 models
    8415 
    8416 > show #14 models
    8417 
    8418 > close #14
    8419 
    8420 > select clear
    8421 
    8422 > show #11 models
    8423 
    8424 > color #11 darkgrey
    8425 
    8426 > select clear
    8427 
    8428 > show #!2 models
    8429 
    8430 > color #2 #00fdffff
    8431 
    8432 > select clear
    8433 
    8434 > ui tool show Matchmaker
    8435 
    8436 > matchmaker #!2 to #11
    8437 
    8438 Parameters 
    8439 --- 
    8440 Chain pairing | bb 
    8441 Alignment algorithm | Needleman-Wunsch 
    8442 Similarity matrix | BLOSUM-62 
    8443 SS fraction | 0.3 
    8444 Gap open (HH/SS/other) | 18/18/6 
    8445 Gap extend | 1 
    8446 SS matrix |  |  | H | S | O 
    8447 ---|---|---|--- 
    8448 H | 6 | -9 | -6 
    8449 S |  | 6 | -6 
    8450 O |  |  | 4 
    8451 Iteration cutoff | 2 
    8452  
    8453 Matchmaker
    8454 BrWAK1_96657_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000.pdb, chain A
    8455 (#11) with stb6.pdb, chain A (#2), sequence alignment score = 102.1 
    8456 RMSD between 31 pruned atom pairs is 0.917 angstroms; (across all 168 pairs:
    8457 14.481) 
    8458  
    8459 
    8460 > select clear
    8461 
    8462 > select add #11/A:43
    8463 
    8464 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8465 
    8466 > select add #11/A:45
    8467 
    8468 19 atoms, 18 bonds, 2 residues, 1 model selected 
    8469 
    8470 > setattr #11:43-45 res ss_type 0
    8471 
    8472 Assigning ss_type attribute to 3 items 
    8473 
    8474 > setattr #11:43-45 res ss_type 2
    8475 
    8476 Assigning ss_type attribute to 3 items 
    8477 
    8478 > select clear
    8479 
    8480 > select add #11/A:33
    8481 
    8482 11 atoms, 11 bonds, 1 residue, 1 model selected 
    8483 
    8484 > select add #11/A:31
    8485 
    8486 18 atoms, 18 bonds, 2 residues, 1 model selected 
    8487 
    8488 > setattr #11:31-33 res ss_type 0
    8489 
    8490 Assigning ss_type attribute to 3 items 
    8491 
    8492 > select clear
    8493 
    8494 > select #11/A:33
    8495 
    8496 11 atoms, 11 bonds, 1 residue, 1 model selected 
    8497 Alignment identifier is 11/A 
    8498 
    8499 > select #11/A:34
    8500 
    8501 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8502 
    8503 > select #11/A:34-35
    8504 
    8505 16 atoms, 15 bonds, 2 residues, 1 model selected 
    8506 
    8507 > select #11/A:33-34
    8508 
    8509 19 atoms, 19 bonds, 2 residues, 1 model selected 
    8510 
    8511 > select #11/A:33-35
    8512 
    8513 27 atoms, 27 bonds, 3 residues, 1 model selected 
    8514 
    8515 > select #2/A:194
    8516 
    8517 12 atoms, 12 bonds, 1 residue, 1 model selected 
    8518 
    8519 > select #2/A:194-195
    8520 
    8521 21 atoms, 21 bonds, 2 residues, 1 model selected 
    8522 
    8523 > select clear
    8524 
    8525 > select #11/A:33
    8526 
    8527 11 atoms, 11 bonds, 1 residue, 1 model selected 
    8528 
    8529 > select #11/A:33-35
    8530 
    8531 27 atoms, 27 bonds, 3 residues, 1 model selected 
    8532 
    8533 > select add #11/A:38
    8534 
    8535 35 atoms, 34 bonds, 4 residues, 1 model selected 
    8536 
    8537 > select #11/A:33-34
    8538 
    8539 19 atoms, 19 bonds, 2 residues, 1 model selected 
    8540 
    8541 > select #11/A:33-40
    8542 
    8543 68 atoms, 68 bonds, 8 residues, 1 model selected 
    8544 
    8545 > setattr #11:33-40 res ss_type 2
    8546 
    8547 Assigning ss_type attribute to 8 items 
    8548 
    8549 > select clear
    8550 
    8551 > setattr #11:33-40 res ss_type 0
    8552 
    8553 Assigning ss_type attribute to 8 items 
    8554 
    8555 > select add #11/A:36
    8556 
    8557 7 atoms, 6 bonds, 1 residue, 1 model selected 
    8558 
    8559 > select add #11/A:38
    8560 
    8561 15 atoms, 13 bonds, 2 residues, 1 model selected 
    8562 
    8563 > setattr #11:36-38 res ss_type 2
    8564 
    8565 Assigning ss_type attribute to 3 items 
    8566 
    8567 > select clear
    8568 
    8569 > select #11/A:35
    8570 
    8571 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8572 
    8573 > select add #11/A:32
    8574 
    8575 14 atoms, 12 bonds, 2 residues, 1 model selected 
    8576 
    8577 > setattr #11:32-35 res ss_type 2
    8578 
    8579 Assigning ss_type attribute to 4 items 
    8580 
    8581 > setattr #11:32-35 res ss_type 0
    8582 
    8583 Assigning ss_type attribute to 4 items 
    8584 
    8585 > setattr #11:36-38 res ss_type 2
    8586 
    8587 Assigning ss_type attribute to 3 items 
    8588 
    8589 > select clear
    8590 
    8591 > select add #11/A:32
    8592 
    8593 6 atoms, 5 bonds, 1 residue, 1 model selected 
    8594 
    8595 > select add #11/A:34
    8596 
    8597 14 atoms, 12 bonds, 2 residues, 1 model selected 
    8598 
    8599 > select #11/A:33
    8600 
    8601 11 atoms, 11 bonds, 1 residue, 1 model selected 
    8602 
    8603 > select #11/A:33-35
    8604 
    8605 27 atoms, 27 bonds, 3 residues, 1 model selected 
    8606 
    8607 > setattr #11:32-34 res ss_type 2
    8608 
    8609 Assigning ss_type attribute to 3 items 
    8610 
    8611 > select clear
    8612 
    8613 > setattr #11:31-34 res ss_type 2
    8614 
    8615 Assigning ss_type attribute to 4 items 
    8616 
    8617 > select clear
    8618 
    8619 > select add #11/A:19
    8620 
    8621 11 atoms, 11 bonds, 1 residue, 1 model selected 
    8622 
    8623 > select add #11/A:21
    8624 
    8625 18 atoms, 17 bonds, 2 residues, 1 model selected 
    8626 
    8627 > setattr #11:19-21 res ss_type 2
    8628 
    8629 Assigning ss_type attribute to 3 items 
    8630 
    8631 > select clear
    8632 
    8633 > hide #!2 models
    8634 
    8635 > select clear
    8636 
    8637 > select add #11/A:305
    8638 
    8639 9 atoms, 8 bonds, 1 residue, 1 model selected 
    8640 
    8641 > select #11/A:305
    8642 
    8643 9 atoms, 8 bonds, 1 residue, 1 model selected 
    8644 
    8645 > select #11/A:305-311
    8646 
    8647 58 atoms, 60 bonds, 7 residues, 1 model selected 
    8648 
    8649 > hide sel cartoons
    8650 
    8651 > select clear
    8652 
    8653 > select ::name="CYS"
    8654 
    8655 1512 atoms, 1336 bonds, 252 residues, 13 models selected 
    8656 
    8657 > show sel & #11 atoms
    8658 
    8659 > color (#11 & sel) byelement
    8660 
    8661 > select clear
    8662 
    8663 > select add #11/A:10@SG
    8664 
    8665 1 atom, 1 residue, 1 model selected 
    8666 
    8667 > select add #11/A:37@SG
    8668 
    8669 2 atoms, 2 residues, 1 model selected 
    8670 
    8671 > select add #11/A:6@SG
    8672 
    8673 3 atoms, 3 residues, 1 model selected 
    8674 
    8675 > select add #11/A:25@SG
    8676 
    8677 4 atoms, 4 residues, 1 model selected 
    8678 
    8679 > select add #11/A:221@SG
    8680 
    8681 5 atoms, 5 residues, 1 model selected 
    8682 
    8683 > select add #11/A:239@SG
    8684 
    8685 6 atoms, 6 residues, 1 model selected 
    8686 
    8687 > select add #11/A:257@SG
    8688 
    8689 7 atoms, 7 residues, 1 model selected 
    8690 
    8691 > select add #11/A:241@SG
    8692 
    8693 8 atoms, 8 residues, 1 model selected 
    8694 
    8695 > select add #11/A:212@SG
    8696 
    8697 9 atoms, 9 residues, 1 model selected 
    8698 
    8699 > select add #11/A:228@SG
    8700 
    8701 10 atoms, 10 residues, 1 model selected 
    8702 
    8703 > select add #11/A:278@SG
    8704 
    8705 11 atoms, 11 residues, 1 model selected 
    8706 
    8707 > select add #11/A:263@SG
    8708 
    8709 12 atoms, 12 residues, 1 model selected 
    8710 
    8711 > select clear
    8712 
    8713 > select S
    8714 
    8715 288 atoms, 68 bonds, 288 residues, 13 models selected 
    8716 
    8717 > bond sel
    8718 
    8719 Created 55 bonds 
    8720 
    8721 > select clear
    8722 
    8723 > select add #11/A:206
    8724 
    8725 6 atoms, 5 bonds, 1 residue, 1 model selected 
    8726 
    8727 > select add #11/A:179
    8728 
    8729 14 atoms, 12 bonds, 2 residues, 1 model selected 
    8730 
    8731 > color sel forest green target ac
    8732 
    8733 > select #11/A:179
    8734 
    8735 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8736 
    8737 > select #11/A:179-206
    8738 
    8739 233 atoms, 239 bonds, 28 residues, 1 model selected 
    8740 
    8741 > color sel forest green target ac
    8742 
    8743 > select clear
    8744 
    8745 > select add #11/A:94
    8746 
    8747 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8748 
    8749 > select add #11/A:93
    8750 
    8751 16 atoms, 14 bonds, 2 residues, 1 model selected 
    8752 
    8753 > select subtract #11/A:94
    8754 
    8755 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8756 
    8757 > select add #11/A:64
    8758 
    8759 16 atoms, 14 bonds, 2 residues, 1 model selected 
    8760 
    8761 > select subtract #11/A:64
    8762 
    8763 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8764 
    8765 > select add #11/A:65
    8766 
    8767 14 atoms, 12 bonds, 2 residues, 1 model selected 
    8768 
    8769 > select #11/A:93
    8770 
    8771 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8772 
    8773 > select #11/A:65-93
    8774 
    8775 220 atoms, 223 bonds, 29 residues, 1 model selected 
    8776 
    8777 > color sel light gray target ac
    8778 
    8779 > select clear
    8780 
    8781 > select add #11/A:64
    8782 
    8783 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8784 
    8785 > select #11/A:64
    8786 
    8787 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8788 
    8789 > select #11/A:1-64
    8790 
    8791 513 atoms, 527 bonds, 64 residues, 1 model selected 
    8792 
    8793 > color sel dark sea green target ac
    8794 
    8795 > select clear
    8796 
    8797 > select add #11/A:94
    8798 
    8799 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8800 
    8801 > select add #11/A:178
    8802 
    8803 17 atoms, 15 bonds, 2 residues, 1 model selected 
    8804 
    8805 > select #11/A:94
    8806 
    8807 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8808 
    8809 > select #11/A:94-178
    8810 
    8811 624 atoms, 641 bonds, 85 residues, 1 model selected 
    8812 
    8813 > color sel dark khaki target ac
    8814 
    8815 > select clear
    8816 
    8817 > select add #11/A:207
    8818 
    8819 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8820 
    8821 > select #11/A:207
    8822 
    8823 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8824 
    8825 > select #11/A:207-311
    8826 
    8827 802 atoms, 819 bonds, 105 residues, 1 model selected 
    8828 
    8829 > color sel light steel blue target ac
    8830 
    8831 > select clear
    8832 
    8833 > select ::name="CYS"
    8834 
    8835 1512 atoms, 1391 bonds, 252 residues, 13 models selected 
    8836 
    8837 > color (#11 & sel) byhetero
    8838 
    8839 > select clear
    8840 
    8841 > select #11/A:3
    8842 
    8843 11 atoms, 10 bonds, 1 residue, 1 model selected 
    8844 
    8845 > select #11/A:1-3
    8846 
    8847 27 atoms, 27 bonds, 3 residues, 1 model selected 
    8848 
    8849 > hide sel cartoons
    8850 
    8851 > select clear
    8852 
    8853 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    8854 > AustralianNationalUniversity/Documents/Figures/Immunity WAKs/BrWAK1.png"
    8855 > width 900 height 739 supersample 4 transparentBackground true
    8856 
    8857 > select clear
    8858 
    8859 > color bfactor palette
    8860 > 0,darkorange:49.99,darkorange:50,yellow:69.99,yellow:70,lightskyblue:89.99,lightskyblue:90,blue:100,blue
    8861 
    8862 29737 atoms, 3887 residues, 1 surfaces, atom bfactor range 28.5 to 191 
    8863 
    8864 > select clear
    8865 
    8866 > save "/Users/u6290062/Library/CloudStorage/OneDrive-
    8867 > AustralianNationalUniversity/Documents/Figures/Immunity
    8868 > WAKs/BrWAK1-pLDDT.png" width 900 height 739 supersample 4
    8869 > transparentBackground true
    8870 
    8871 > select clear
    8872 
    8873 > hide #11 models
    8874 
    8875 > show #12 models
    8876 
    8877 > color #12 #008f00ff
    8878 
    8879 > select clear
    8880 
    8881 > show #!2 models
    8882 
    8883 > color #2 #ebebebff
    8884 
    8885 > select clear
    8886 
    8887 > ui tool show "Render/Select by Attribute"
    8888 
    8889 > ui tool show Matchmaker
    8890 
    8891 > matchmaker #12 to #2
    8892 
    8893 Parameters 
    8894 --- 
    8895 Chain pairing | bb 
    8896 Alignment algorithm | Needleman-Wunsch 
    8897 Similarity matrix | BLOSUM-62 
    8898 SS fraction | 0.3 
    8899 Gap open (HH/SS/other) | 18/18/6 
    8900 Gap extend | 1 
    8901 SS matrix |  |  | H | S | O 
    8902 ---|---|---|--- 
    8903 H | 6 | -9 | -6 
    8904 S |  | 6 | -6 
    8905 O |  |  | 4 
    8906 Iteration cutoff | 2 
    8907  
    8908 Matchmaker stb6.pdb, chain A (#2) with
    8909 AtWAK1_f4e1e_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000.pdb, chain A
    8910 (#12), sequence alignment score = 130.5 
    8911 RMSD between 34 pruned atom pairs is 0.976 angstroms; (across all 170 pairs:
    8912 17.148) 
    8913  
    8914 
    8915 > select add #12/A:34
    8916 
    8917 6 atoms, 5 bonds, 1 residue, 1 model selected 
    8918 Alignment identifier is 12/A 
    8919 
    8920 > select clear
    8921 
    8922 > select add #12/A:34
    8923 
    8924 6 atoms, 5 bonds, 1 residue, 1 model selected 
    8925 
    8926 > select add #12/A:35
    8927 
    8928 17 atoms, 16 bonds, 2 residues, 1 model selected 
    8929 
    8930 > setattr #12:34-35 res ss_type 0
    8931 
    8932 Assigning ss_type attribute to 2 items 
    8933 
    8934 > select #12/A:35
    8935 
    8936 11 atoms, 11 bonds, 1 residue, 1 model selected 
    8937 
    8938 > select #12/A:35-37
    8939 
    8940 25 atoms, 25 bonds, 3 residues, 1 model selected 
    8941 
    8942 > setattr #12:35-37 res ss_type 2
    8943 
    8944 Assigning ss_type attribute to 3 items 
    8945 
    8946 > select clear
    8947 
    8948 > select add #12/A:21
    8949 
    8950 11 atoms, 11 bonds, 1 residue, 1 model selected 
    8951 
    8952 > select add #12/A:23
    8953 
    8954 19 atoms, 18 bonds, 2 residues, 1 model selected 
    8955 
    8956 > setattr #12:21-23 res ss_type 2
    8957 
    8958 Assigning ss_type attribute to 3 items 
    8959 
    8960 > select clear
    8961 
    8962 > hide #!2 models
    8963 
    8964 > select ::name="CYS"
    8965 
    8966 1512 atoms, 1391 bonds, 252 residues, 13 models selected 
    8967 
    8968 > show sel & #12 atoms
    8969 
    8970 > color (#12 & sel) byhetero
    8971 
    8972 > select clear
    8973 
    8974 > select add #12/A:7
    8975 
    8976 8 atoms, 7 bonds, 1 residue, 1 model selected 
    8977 
    8978 > select #12/A:6
    8979 
    8980 9 atoms, 8 bonds, 1 residue, 1 model selected 
    8981 
    8982 > select #12/A:5-6
    8983 
    8984 13 atoms, 12 bonds, 2 residues, 1 model selected 
    8985 
    8986 > select #12/A:1
    8987 
    8988 9 atoms, 8 bonds, 1 residue, 1 model selected 
    8989 
    8990 > select #12/A:1-5
    8991 
    8992 39 atoms, 40 bonds, 5 residues, 1 model selected 
    8993 
    8994 > hide sel cartoons
    8995 
    8996 > select clear
    8997 
    8998 > select add #12/A:306
    8999 
    9000 9 atoms, 8 bonds, 1 residue, 1 model selected 
    9001 
    9002 > select #12/A:306
    9003 
    9004 9 atoms, 8 bonds, 1 residue, 1 model selected 
    9005 
    9006 > select #12/A:306-312
    9007 
    9008 62 atoms, 64 bonds, 7 residues, 1 model selected 
    9009 
    9010 > hide sel cartoons
    9011 
    9012 > select clear
     1050[deleted to fit within ticket limits]
     1051
    90131052
    90141053> select add #12/A:67