Datasets:
Add 300 K MPIPI-Recharged trajectories (Bacteria), files 1201-1800 of 20564
Browse filesThis view is limited to 50 files because it contains too many changes. See raw diff
- .gitattributes +300 -0
- Bacteria/O30839/O30839.dcd +3 -0
- Bacteria/O30839/top.pdb +52 -0
- Bacteria/O31572/O31572.dcd +3 -0
- Bacteria/O31572/top.pdb +67 -0
- Bacteria/O33447/O33447.dcd +3 -0
- Bacteria/O33447/top.pdb +103 -0
- Bacteria/O51559/O51559.dcd +3 -0
- Bacteria/O51559/top.pdb +54 -0
- Bacteria/O53713/O53713.dcd +3 -0
- Bacteria/O53713/top.pdb +77 -0
- Bacteria/O53824/O53824.dcd +3 -0
- Bacteria/O53824/top.pdb +64 -0
- Bacteria/O54123/O54123.dcd +3 -0
- Bacteria/O54123/top.pdb +77 -0
- Bacteria/O54669/O54669.dcd +3 -0
- Bacteria/O54669/top.pdb +56 -0
- Bacteria/O66563/O66563.dcd +3 -0
- Bacteria/O66563/top.pdb +51 -0
- Bacteria/O68192/O68192.dcd +3 -0
- Bacteria/O68192/top.pdb +143 -0
- Bacteria/O68193/O68193.dcd +3 -0
- Bacteria/O68193/top.pdb +64 -0
- Bacteria/O68194/O68194.dcd +3 -0
- Bacteria/O68194/top.pdb +108 -0
- Bacteria/O68802/O68802.dcd +3 -0
- Bacteria/O68802/top.pdb +42 -0
- Bacteria/O68886/O68886.dcd +3 -0
- Bacteria/O68886/top.pdb +41 -0
- Bacteria/O69966/O69966.dcd +3 -0
- Bacteria/O69966/top.pdb +99 -0
- Bacteria/O82907/O82907.dcd +3 -0
- Bacteria/O82907/top.pdb +155 -0
- Bacteria/O82954/O82954.dcd +3 -0
- Bacteria/O82954/top.pdb +53 -0
- Bacteria/O83517/O83517.dcd +3 -0
- Bacteria/O83517/top.pdb +50 -0
- Bacteria/O83777/O83777.dcd +3 -0
- Bacteria/O83777/top.pdb +54 -0
- Bacteria/O84790/O84790.dcd +3 -0
- Bacteria/O84790/top.pdb +49 -0
- Bacteria/O85587/O85587.dcd +3 -0
- Bacteria/O85587/top.pdb +34 -0
- Bacteria/O86060/O86060.dcd +3 -0
- Bacteria/O86060/top.pdb +52 -0
- Bacteria/O86503/O86503.dcd +3 -0
- Bacteria/O86503/top.pdb +47 -0
- Bacteria/O86672/O86672.dcd +3 -0
- Bacteria/O86672/top.pdb +122 -0
- Bacteria/O86729/O86729.dcd +3 -0
.gitattributes
CHANGED
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@@ -658,3 +658,303 @@ Bacteria/O06272/O06272.dcd filter=lfs diff=lfs merge=lfs -text
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| 658 |
Bacteria/O06568/O06568.dcd filter=lfs diff=lfs merge=lfs -text
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| 659 |
Bacteria/O06618/O06618.dcd filter=lfs diff=lfs merge=lfs -text
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| 660 |
Bacteria/O06953/O06953.dcd filter=lfs diff=lfs merge=lfs -text
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| 658 |
Bacteria/O06568/O06568.dcd filter=lfs diff=lfs merge=lfs -text
|
| 659 |
Bacteria/O06618/O06618.dcd filter=lfs diff=lfs merge=lfs -text
|
| 660 |
Bacteria/O06953/O06953.dcd filter=lfs diff=lfs merge=lfs -text
|
| 661 |
+
Bacteria/O30839/O30839.dcd filter=lfs diff=lfs merge=lfs -text
|
| 662 |
+
Bacteria/O31572/O31572.dcd filter=lfs diff=lfs merge=lfs -text
|
| 663 |
+
Bacteria/O33447/O33447.dcd filter=lfs diff=lfs merge=lfs -text
|
| 664 |
+
Bacteria/O51559/O51559.dcd filter=lfs diff=lfs merge=lfs -text
|
| 665 |
+
Bacteria/O53713/O53713.dcd filter=lfs diff=lfs merge=lfs -text
|
| 666 |
+
Bacteria/O53824/O53824.dcd filter=lfs diff=lfs merge=lfs -text
|
| 667 |
+
Bacteria/O54123/O54123.dcd filter=lfs diff=lfs merge=lfs -text
|
| 668 |
+
Bacteria/O54669/O54669.dcd filter=lfs diff=lfs merge=lfs -text
|
| 669 |
+
Bacteria/O66563/O66563.dcd filter=lfs diff=lfs merge=lfs -text
|
| 670 |
+
Bacteria/O68192/O68192.dcd filter=lfs diff=lfs merge=lfs -text
|
| 671 |
+
Bacteria/O68193/O68193.dcd filter=lfs diff=lfs merge=lfs -text
|
| 672 |
+
Bacteria/O68194/O68194.dcd filter=lfs diff=lfs merge=lfs -text
|
| 673 |
+
Bacteria/O68802/O68802.dcd filter=lfs diff=lfs merge=lfs -text
|
| 674 |
+
Bacteria/O68886/O68886.dcd filter=lfs diff=lfs merge=lfs -text
|
| 675 |
+
Bacteria/O69966/O69966.dcd filter=lfs diff=lfs merge=lfs -text
|
| 676 |
+
Bacteria/O82907/O82907.dcd filter=lfs diff=lfs merge=lfs -text
|
| 677 |
+
Bacteria/O82954/O82954.dcd filter=lfs diff=lfs merge=lfs -text
|
| 678 |
+
Bacteria/O83517/O83517.dcd filter=lfs diff=lfs merge=lfs -text
|
| 679 |
+
Bacteria/O83777/O83777.dcd filter=lfs diff=lfs merge=lfs -text
|
| 680 |
+
Bacteria/O84790/O84790.dcd filter=lfs diff=lfs merge=lfs -text
|
| 681 |
+
Bacteria/O85587/O85587.dcd filter=lfs diff=lfs merge=lfs -text
|
| 682 |
+
Bacteria/O86060/O86060.dcd filter=lfs diff=lfs merge=lfs -text
|
| 683 |
+
Bacteria/O86503/O86503.dcd filter=lfs diff=lfs merge=lfs -text
|
| 684 |
+
Bacteria/O86672/O86672.dcd filter=lfs diff=lfs merge=lfs -text
|
| 685 |
+
Bacteria/O86729/O86729.dcd filter=lfs diff=lfs merge=lfs -text
|
| 686 |
+
Bacteria/O86789/O86789.dcd filter=lfs diff=lfs merge=lfs -text
|
| 687 |
+
Bacteria/O87089/O87089.dcd filter=lfs diff=lfs merge=lfs -text
|
| 688 |
+
Bacteria/O87450/O87450.dcd filter=lfs diff=lfs merge=lfs -text
|
| 689 |
+
Bacteria/O87553/O87553.dcd filter=lfs diff=lfs merge=lfs -text
|
| 690 |
+
Bacteria/P02961/P02961.dcd filter=lfs diff=lfs merge=lfs -text
|
| 691 |
+
Bacteria/P07786/P07786.dcd filter=lfs diff=lfs merge=lfs -text
|
| 692 |
+
Bacteria/P09165/P09165.dcd filter=lfs diff=lfs merge=lfs -text
|
| 693 |
+
Bacteria/P0A0V6/P0A0V6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 694 |
+
Bacteria/P0A5D0/P0A5D0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 695 |
+
Bacteria/P0ADF3/P0ADF3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 696 |
+
Bacteria/P0DSF3/P0DSF3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 697 |
+
Bacteria/P21153/P21153.dcd filter=lfs diff=lfs merge=lfs -text
|
| 698 |
+
Bacteria/P22399/P22399.dcd filter=lfs diff=lfs merge=lfs -text
|
| 699 |
+
Bacteria/P35142/P35142.dcd filter=lfs diff=lfs merge=lfs -text
|
| 700 |
+
Bacteria/P45647/P45647.dcd filter=lfs diff=lfs merge=lfs -text
|
| 701 |
+
Bacteria/P46916/P46916.dcd filter=lfs diff=lfs merge=lfs -text
|
| 702 |
+
Bacteria/P54568/P54568.dcd filter=lfs diff=lfs merge=lfs -text
|
| 703 |
+
Bacteria/P56614/P56614.dcd filter=lfs diff=lfs merge=lfs -text
|
| 704 |
+
Bacteria/P58288/P58288.dcd filter=lfs diff=lfs merge=lfs -text
|
| 705 |
+
Bacteria/P66248/P66248.dcd filter=lfs diff=lfs merge=lfs -text
|
| 706 |
+
Bacteria/P66252/P66252.dcd filter=lfs diff=lfs merge=lfs -text
|
| 707 |
+
Bacteria/P66261/P66261.dcd filter=lfs diff=lfs merge=lfs -text
|
| 708 |
+
Bacteria/P66285/P66285.dcd filter=lfs diff=lfs merge=lfs -text
|
| 709 |
+
Bacteria/P66288/P66288.dcd filter=lfs diff=lfs merge=lfs -text
|
| 710 |
+
Bacteria/P68997/P68997.dcd filter=lfs diff=lfs merge=lfs -text
|
| 711 |
+
Bacteria/P70964/P70964.dcd filter=lfs diff=lfs merge=lfs -text
|
| 712 |
+
Bacteria/P71032/P71032.dcd filter=lfs diff=lfs merge=lfs -text
|
| 713 |
+
Bacteria/P72390/P72390.dcd filter=lfs diff=lfs merge=lfs -text
|
| 714 |
+
Bacteria/P73656/P73656.dcd filter=lfs diff=lfs merge=lfs -text
|
| 715 |
+
Bacteria/P81720/P81720.dcd filter=lfs diff=lfs merge=lfs -text
|
| 716 |
+
Bacteria/P94638/P94638.dcd filter=lfs diff=lfs merge=lfs -text
|
| 717 |
+
Bacteria/P95306/P95306.dcd filter=lfs diff=lfs merge=lfs -text
|
| 718 |
+
Bacteria/P95807/P95807.dcd filter=lfs diff=lfs merge=lfs -text
|
| 719 |
+
Bacteria/P96150/P96150.dcd filter=lfs diff=lfs merge=lfs -text
|
| 720 |
+
Bacteria/P97182/P97182.dcd filter=lfs diff=lfs merge=lfs -text
|
| 721 |
+
Bacteria/Q01QW5/Q01QW5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 722 |
+
Bacteria/Q01R91/Q01R91.dcd filter=lfs diff=lfs merge=lfs -text
|
| 723 |
+
Bacteria/Q01U72/Q01U72.dcd filter=lfs diff=lfs merge=lfs -text
|
| 724 |
+
Bacteria/Q01VA0/Q01VA0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 725 |
+
Bacteria/Q021I0/Q021I0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 726 |
+
Bacteria/Q029F4/Q029F4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 727 |
+
Bacteria/Q02A38/Q02A38.dcd filter=lfs diff=lfs merge=lfs -text
|
| 728 |
+
Bacteria/Q02AD2/Q02AD2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 729 |
+
Bacteria/Q02PD3/Q02PD3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 730 |
+
Bacteria/Q02WU0/Q02WU0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 731 |
+
Bacteria/Q03120/Q03120.dcd filter=lfs diff=lfs merge=lfs -text
|
| 732 |
+
Bacteria/Q032G6/Q032G6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 733 |
+
Bacteria/Q035G0/Q035G0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 734 |
+
Bacteria/Q036L7/Q036L7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 735 |
+
Bacteria/Q036U1/Q036U1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 736 |
+
Bacteria/Q037C8/Q037C8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 737 |
+
Bacteria/Q038A1/Q038A1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 738 |
+
Bacteria/Q03B96/Q03B96.dcd filter=lfs diff=lfs merge=lfs -text
|
| 739 |
+
Bacteria/Q03B97/Q03B97.dcd filter=lfs diff=lfs merge=lfs -text
|
| 740 |
+
Bacteria/Q03BQ5/Q03BQ5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 741 |
+
Bacteria/Q03D56/Q03D56.dcd filter=lfs diff=lfs merge=lfs -text
|
| 742 |
+
Bacteria/Q03G56/Q03G56.dcd filter=lfs diff=lfs merge=lfs -text
|
| 743 |
+
Bacteria/Q03PC4/Q03PC4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 744 |
+
Bacteria/Q03QQ0/Q03QQ0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 745 |
+
Bacteria/Q03SJ1/Q03SJ1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 746 |
+
Bacteria/Q03V35/Q03V35.dcd filter=lfs diff=lfs merge=lfs -text
|
| 747 |
+
Bacteria/Q03XU7/Q03XU7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 748 |
+
Bacteria/Q03YI1/Q03YI1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 749 |
+
Bacteria/Q04024/Q04024.dcd filter=lfs diff=lfs merge=lfs -text
|
| 750 |
+
Bacteria/Q04EN4/Q04EN4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 751 |
+
Bacteria/Q04EZ5/Q04EZ5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 752 |
+
Bacteria/Q04FC6/Q04FC6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 753 |
+
Bacteria/Q04GJ5/Q04GJ5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 754 |
+
Bacteria/Q04GR2/Q04GR2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 755 |
+
Bacteria/Q04HJ7/Q04HJ7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 756 |
+
Bacteria/Q05845/Q05845.dcd filter=lfs diff=lfs merge=lfs -text
|
| 757 |
+
Bacteria/Q05HU1/Q05HU1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 758 |
+
Bacteria/Q05HX0/Q05HX0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 759 |
+
Bacteria/Q05HZ3/Q05HZ3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 760 |
+
Bacteria/Q05I24/Q05I24.dcd filter=lfs diff=lfs merge=lfs -text
|
| 761 |
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Bacteria/Q05I63/Q05I63.dcd filter=lfs diff=lfs merge=lfs -text
|
| 762 |
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Bacteria/Q05I66/Q05I66.dcd filter=lfs diff=lfs merge=lfs -text
|
| 763 |
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Bacteria/Q07612/Q07612.dcd filter=lfs diff=lfs merge=lfs -text
|
| 764 |
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Bacteria/Q07GC9/Q07GC9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 765 |
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Bacteria/Q07GJ3/Q07GJ3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 766 |
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Bacteria/Q07GL9/Q07GL9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 767 |
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Bacteria/Q07HH4/Q07HH4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 768 |
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Bacteria/Q07IZ0/Q07IZ0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 769 |
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Bacteria/Q07K79/Q07K79.dcd filter=lfs diff=lfs merge=lfs -text
|
| 770 |
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Bacteria/Q07KF1/Q07KF1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 771 |
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Bacteria/Q07L98/Q07L98.dcd filter=lfs diff=lfs merge=lfs -text
|
| 772 |
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Bacteria/Q07LC1/Q07LC1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 773 |
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Bacteria/Q07NS5/Q07NS5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 774 |
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Bacteria/Q07PP7/Q07PP7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 775 |
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Bacteria/Q07Q23/Q07Q23.dcd filter=lfs diff=lfs merge=lfs -text
|
| 776 |
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Bacteria/Q07RC0/Q07RC0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 777 |
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Bacteria/Q07UA2/Q07UA2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 778 |
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Bacteria/Q07UA9/Q07UA9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 779 |
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Bacteria/Q088F7/Q088F7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 780 |
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Bacteria/Q08JD0/Q08JD0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 781 |
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Bacteria/Q08M48/Q08M48.dcd filter=lfs diff=lfs merge=lfs -text
|
| 782 |
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Bacteria/Q08M68/Q08M68.dcd filter=lfs diff=lfs merge=lfs -text
|
| 783 |
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Bacteria/Q08M91/Q08M91.dcd filter=lfs diff=lfs merge=lfs -text
|
| 784 |
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Bacteria/Q08MB3/Q08MB3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 785 |
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Bacteria/Q08MP3/Q08MP3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 786 |
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Bacteria/Q08MR0/Q08MR0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 787 |
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Bacteria/Q08MS1/Q08MS1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 788 |
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Bacteria/Q08N16/Q08N16.dcd filter=lfs diff=lfs merge=lfs -text
|
| 789 |
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Bacteria/Q08N37/Q08N37.dcd filter=lfs diff=lfs merge=lfs -text
|
| 790 |
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Bacteria/Q08NE9/Q08NE9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 791 |
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Bacteria/Q08NG7/Q08NG7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 792 |
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Bacteria/Q08NT1/Q08NT1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 793 |
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Bacteria/Q08PL9/Q08PL9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 794 |
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Bacteria/Q08QA8/Q08QA8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 795 |
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Bacteria/Q08QB6/Q08QB6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 796 |
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Bacteria/Q08QI9/Q08QI9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 797 |
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Bacteria/Q08QK9/Q08QK9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 798 |
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Bacteria/Q08QU9/Q08QU9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 799 |
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Bacteria/Q08RA1/Q08RA1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 800 |
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Bacteria/Q08RK3/Q08RK3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 801 |
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Bacteria/Q08SE3/Q08SE3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 802 |
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Bacteria/Q08T44/Q08T44.dcd filter=lfs diff=lfs merge=lfs -text
|
| 803 |
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Bacteria/Q08T65/Q08T65.dcd filter=lfs diff=lfs merge=lfs -text
|
| 804 |
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Bacteria/Q08TJ7/Q08TJ7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 805 |
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Bacteria/Q08UD4/Q08UD4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 806 |
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Bacteria/Q08V70/Q08V70.dcd filter=lfs diff=lfs merge=lfs -text
|
| 807 |
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|
| 808 |
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Bacteria/Q08WA7/Q08WA7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 809 |
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|
| 810 |
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|
| 811 |
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Bacteria/Q08X41/Q08X41.dcd filter=lfs diff=lfs merge=lfs -text
|
| 812 |
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Bacteria/Q08XD7/Q08XD7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 813 |
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|
| 814 |
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Bacteria/Q08XP2/Q08XP2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 815 |
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|
| 816 |
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Bacteria/Q08YL3/Q08YL3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 817 |
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Bacteria/Q08YQ7/Q08YQ7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 818 |
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Bacteria/Q08Z70/Q08Z70.dcd filter=lfs diff=lfs merge=lfs -text
|
| 819 |
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Bacteria/Q08Z96/Q08Z96.dcd filter=lfs diff=lfs merge=lfs -text
|
| 820 |
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Bacteria/Q08ZL6/Q08ZL6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 821 |
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Bacteria/Q08ZQ7/Q08ZQ7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 822 |
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Bacteria/Q090F9/Q090F9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 823 |
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Bacteria/Q090H5/Q090H5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 824 |
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|
| 825 |
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|
| 826 |
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Bacteria/Q093C1/Q093C1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 827 |
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Bacteria/Q093N0/Q093N0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 828 |
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Bacteria/Q094J7/Q094J7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 829 |
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Bacteria/Q094P9/Q094P9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 830 |
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Bacteria/Q094V6/Q094V6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 831 |
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Bacteria/Q095L4/Q095L4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 832 |
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Bacteria/Q095U9/Q095U9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 833 |
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|
| 834 |
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Bacteria/Q098K9/Q098K9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 835 |
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|
| 836 |
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|
| 837 |
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|
| 838 |
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Bacteria/Q09A56/Q09A56.dcd filter=lfs diff=lfs merge=lfs -text
|
| 839 |
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|
| 840 |
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Bacteria/Q09C43/Q09C43.dcd filter=lfs diff=lfs merge=lfs -text
|
| 841 |
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Bacteria/Q09D64/Q09D64.dcd filter=lfs diff=lfs merge=lfs -text
|
| 842 |
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Bacteria/Q09DM3/Q09DM3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 843 |
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Bacteria/Q09DP1/Q09DP1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 844 |
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Bacteria/Q0A794/Q0A794.dcd filter=lfs diff=lfs merge=lfs -text
|
| 845 |
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|
| 846 |
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|
| 847 |
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|
| 848 |
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|
| 849 |
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|
| 850 |
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|
| 851 |
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|
| 852 |
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|
| 853 |
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|
| 854 |
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|
| 855 |
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|
| 856 |
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|
| 857 |
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|
| 858 |
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Bacteria/Q0B3C7/Q0B3C7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 859 |
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|
| 860 |
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Bacteria/Q0B3V6/Q0B3V6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 861 |
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|
| 862 |
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Bacteria/Q0B4Y0/Q0B4Y0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 863 |
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Bacteria/Q0B922/Q0B922.dcd filter=lfs diff=lfs merge=lfs -text
|
| 864 |
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Bacteria/Q0BAX5/Q0BAX5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 865 |
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Bacteria/Q0BC28/Q0BC28.dcd filter=lfs diff=lfs merge=lfs -text
|
| 866 |
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|
| 867 |
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|
| 868 |
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Bacteria/Q0BF97/Q0BF97.dcd filter=lfs diff=lfs merge=lfs -text
|
| 869 |
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Bacteria/Q0BH19/Q0BH19.dcd filter=lfs diff=lfs merge=lfs -text
|
| 870 |
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|
| 871 |
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|
| 872 |
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|
| 873 |
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|
| 874 |
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|
| 875 |
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|
| 876 |
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|
| 877 |
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|
| 878 |
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|
| 879 |
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|
| 880 |
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|
| 881 |
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|
| 882 |
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|
| 883 |
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|
| 884 |
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|
| 885 |
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|
| 886 |
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|
| 887 |
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|
| 888 |
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Bacteria/Q0C4Z6/Q0C4Z6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 889 |
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Bacteria/Q0C551/Q0C551.dcd filter=lfs diff=lfs merge=lfs -text
|
| 890 |
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|
| 891 |
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|
| 892 |
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Bacteria/Q0C6T2/Q0C6T2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 893 |
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Bacteria/Q0EW59/Q0EW59.dcd filter=lfs diff=lfs merge=lfs -text
|
| 894 |
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Bacteria/Q0EZ35/Q0EZ35.dcd filter=lfs diff=lfs merge=lfs -text
|
| 895 |
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|
| 896 |
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|
| 897 |
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|
| 898 |
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|
| 899 |
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Bacteria/Q0F1C0/Q0F1C0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 900 |
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|
| 901 |
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|
| 902 |
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|
| 903 |
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|
| 904 |
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|
| 905 |
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|
| 906 |
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|
| 907 |
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|
| 908 |
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|
| 909 |
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|
| 910 |
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Bacteria/Q0FJD2/Q0FJD2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 911 |
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Bacteria/Q0FJR8/Q0FJR8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 912 |
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Bacteria/Q0FRG1/Q0FRG1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 913 |
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|
| 914 |
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|
| 915 |
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|
| 916 |
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|
| 917 |
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|
| 918 |
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|
| 919 |
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|
| 920 |
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|
| 921 |
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|
| 922 |
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|
| 923 |
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|
| 924 |
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|
| 925 |
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|
| 926 |
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| 927 |
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|
| 928 |
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Bacteria/Q0FW45/Q0FW45.dcd filter=lfs diff=lfs merge=lfs -text
|
| 929 |
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|
| 930 |
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|
| 931 |
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|
| 932 |
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|
| 933 |
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|
| 934 |
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|
| 935 |
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|
| 936 |
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|
| 937 |
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|
| 938 |
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|
| 939 |
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|
| 940 |
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|
| 941 |
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|
| 942 |
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|
| 943 |
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|
| 944 |
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|
| 945 |
+
Bacteria/Q0FWD4/Q0FWD4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 946 |
+
Bacteria/Q0FWE1/Q0FWE1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 947 |
+
Bacteria/Q0FWF1/Q0FWF1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 948 |
+
Bacteria/Q0FWF5/Q0FWF5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 949 |
+
Bacteria/Q0FWG0/Q0FWG0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 950 |
+
Bacteria/Q0FWG6/Q0FWG6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 951 |
+
Bacteria/Q0FWG8/Q0FWG8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 952 |
+
Bacteria/Q0FWH1/Q0FWH1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 953 |
+
Bacteria/Q0FWH3/Q0FWH3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 954 |
+
Bacteria/Q0FWI0/Q0FWI0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 955 |
+
Bacteria/Q0FWI7/Q0FWI7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 956 |
+
Bacteria/Q0FWJ6/Q0FWJ6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 957 |
+
Bacteria/Q0FWK6/Q0FWK6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 958 |
+
Bacteria/Q0FWK8/Q0FWK8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 959 |
+
Bacteria/Q0FWL3/Q0FWL3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 960 |
+
Bacteria/Q0FWM5/Q0FWM5.dcd filter=lfs diff=lfs merge=lfs -text
|
Bacteria/O30839/O30839.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:ce6128d4dfe07549a4f444b55089e4e10aefd4c3f482951a875e44fc5e712413
|
| 3 |
+
size 6560276
|
Bacteria/O30839/top.pdb
ADDED
|
@@ -0,0 +1,52 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 266.174 243.840 238.267 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 262.555 244.843 238.909 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 260.882 242.871 241.707 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA MET A 4 261.050 239.076 242.000 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ILE A 5 263.594 238.058 244.647 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 267.332 237.692 244.005 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA PRO A 7 269.967 238.888 246.483 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LEU A 8 269.473 236.929 249.713 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 266.696 237.777 252.179 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 264.080 235.272 253.364 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 260.657 233.601 253.382 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 257.720 234.748 251.243 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA HIS A 13 256.455 238.171 250.146 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLU A 14 253.066 239.811 249.564 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA VAL A 15 252.998 243.411 248.318 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PHE A 16 251.475 245.734 245.710 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 248.740 248.264 244.915 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLY A 18 250.477 251.349 243.508 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA PHE A 19 250.309 254.725 241.752 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 251.774 258.242 241.812 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LEU A 21 255.266 259.767 241.858 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LEU A 22 254.706 263.508 242.311 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA SER A 23 253.759 266.474 244.507 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 251.918 265.996 247.808 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLN A 25 250.144 268.601 249.949 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ASN A 26 246.485 267.540 250.024 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA THR A 27 245.293 264.367 248.286 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 242.320 265.504 246.192 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 240.893 266.723 242.877 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASN A 30 237.617 264.896 242.209 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LYS A 31 235.104 263.206 244.521 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA VAL A 32 235.552 259.854 246.277 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 239.175 258.788 245.774 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PRO A 34 240.410 257.131 248.975 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ASP A 35 239.142 257.590 252.538 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LEU A 36 239.220 259.210 255.986 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA VAL A 37 240.516 259.083 259.566 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 243.489 256.701 259.636 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA TRP A 39 242.652 253.602 257.584 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA THR A 40 242.351 249.804 257.614 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 239.579 247.471 256.434 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA TYR A 42 239.911 243.702 256.883 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ARG A 43 243.486 242.395 257.059 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLY A 44 244.493 239.368 259.142 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 244.664 240.559 262.756 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 241.611 240.461 265.034 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA PRO A 47 242.396 239.092 268.502 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 242.377 235.307 268.070 1.00 0.00 C
|
| 51 |
+
TER 49 ARG A 48
|
| 52 |
+
END
|
Bacteria/O31572/O31572.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9c4353dc3226b0d60549425dfa78eae43a6c91595720029913a437f266759a31
|
| 3 |
+
size 8360276
|
Bacteria/O31572/top.pdb
ADDED
|
@@ -0,0 +1,67 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 217.261 234.295 273.496 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 218.307 235.042 269.909 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 218.750 234.586 266.153 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASN A 4 221.457 233.133 263.899 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA HIS A 5 222.986 231.144 261.032 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ILE A 6 226.218 231.241 259.016 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA HIS A 7 229.694 229.717 259.354 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LYS A 8 232.284 230.264 256.613 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ASN A 9 233.362 233.354 254.663 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 236.124 235.751 255.733 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASP A 11 234.535 239.196 256.086 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 234.433 242.646 254.474 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASN A 13 236.858 244.460 252.162 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA LYS A 14 240.565 245.323 251.979 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLN A 15 242.126 247.274 254.855 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 244.613 247.038 257.731 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LEU A 17 242.848 246.882 261.105 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 239.260 248.071 260.630 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLN A 19 239.418 251.298 258.611 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA VAL A 20 241.414 253.447 256.180 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA PRO A 21 244.731 255.291 256.516 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ASP A 22 247.225 256.783 258.980 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ALA A 23 250.926 257.578 258.551 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LEU A 24 252.971 254.913 256.754 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA LYS A 25 251.623 253.366 253.544 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ARG A 26 249.673 251.290 251.014 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLU A 27 251.894 250.339 248.068 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA THR A 28 254.203 249.380 245.193 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 253.790 251.527 242.073 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 255.738 253.089 239.195 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA VAL A 31 259.106 251.681 238.106 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA TYR A 32 262.780 252.076 239.034 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 266.372 252.578 240.202 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLU A 34 266.245 255.192 242.970 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA TYR A 35 268.378 256.806 245.684 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA SER A 36 271.739 255.016 245.560 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA THR A 37 271.594 251.505 247.032 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLU A 38 268.419 249.473 246.481 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA LEU A 39 268.654 245.726 247.130 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ALA A 40 268.218 243.849 250.417 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ASP A 41 268.733 240.873 252.740 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ALA A 42 266.711 240.693 255.964 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ASP A 43 265.811 243.828 257.935 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASP A 44 264.096 246.930 259.332 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ARG A 45 263.489 250.494 258.130 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 261.323 252.122 255.452 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ALA A 47 259.358 254.283 253.006 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLN A 48 256.713 253.847 250.298 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLU A 49 258.653 253.417 247.047 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 260.510 256.308 245.402 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ALA A 51 260.958 259.361 243.168 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA LYS A 52 260.252 263.007 242.315 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ALA A 53 259.613 265.560 239.560 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ALA A 54 256.531 266.598 237.575 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ASP A 55 253.386 268.459 238.655 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ASN A 56 249.791 267.870 239.769 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ARG A 57 246.692 265.756 239.101 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ALA A 58 244.742 262.761 237.782 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LYS A 59 246.516 259.524 236.840 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA LYS A 60 249.914 258.284 235.643 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA LYS A 61 252.548 258.738 232.927 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA SER A 62 252.916 260.125 229.398 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ARG A 63 253.951 259.543 225.778 1.00 0.00 C
|
| 66 |
+
TER 64 ARG A 63
|
| 67 |
+
END
|
Bacteria/O33447/O33447.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:700b79130df02a5f2a985c739d02b08467a34a58163ef3599f49420c0f4a03cb
|
| 3 |
+
size 12680276
|
Bacteria/O33447/top.pdb
ADDED
|
@@ -0,0 +1,103 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 273.317 229.815 253.435 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA SER A 2 272.000 227.928 256.471 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LYS A 3 268.951 228.778 258.593 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA HIS A 4 265.354 228.034 259.603 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ALA A 5 263.060 230.419 261.491 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA HIS A 6 262.159 232.996 264.149 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 262.473 234.756 267.514 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA HIS A 8 262.031 235.460 271.232 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ASP A 9 263.985 238.593 272.170 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ASN A 10 263.787 241.104 275.029 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA HIS A 11 265.848 244.308 275.064 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 266.393 246.748 272.189 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA HIS A 13 263.154 248.035 270.651 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA THR A 14 260.545 245.322 270.060 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ASP A 15 260.921 243.141 266.958 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ALA A 16 264.300 243.657 265.275 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA CYS A 17 267.256 241.783 266.780 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA CYS A 18 269.940 240.907 269.338 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 272.004 237.723 268.998 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 275.312 235.924 269.580 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 276.099 236.492 273.264 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLN A 22 279.494 236.980 274.923 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA CYS A 23 280.922 240.063 273.198 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA CYS A 24 280.404 241.836 269.866 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA SER A 25 277.313 241.305 267.703 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ASN A 26 274.536 243.414 266.170 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLN A 27 274.037 246.143 263.558 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ALA A 28 273.476 246.316 259.793 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 276.882 246.739 258.138 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASN A 30 279.783 245.018 256.367 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 279.772 241.526 254.843 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA SER A 32 276.223 240.155 255.051 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA MET A 33 272.772 240.114 256.667 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA HIS A 34 270.386 241.134 253.877 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA SER A 35 268.818 244.555 253.284 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA HIS A 36 271.686 247.026 252.855 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA THR A 37 273.641 250.280 253.190 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLU A 38 272.167 252.559 250.516 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA SER A 39 268.777 254.240 250.068 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLY A 40 265.345 252.592 250.228 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA HIS A 41 262.046 251.939 248.438 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA THR A 42 258.778 250.293 249.501 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA HIS A 43 256.501 248.189 251.715 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA SER A 44 253.754 245.785 250.622 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA LYS A 45 250.141 246.961 250.342 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ILE A 46 247.583 247.515 247.573 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ASP A 47 247.146 251.056 246.235 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LYS A 48 243.817 252.780 245.558 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 240.303 252.176 244.215 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 238.500 248.930 245.072 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA PRO A 51 234.766 248.620 245.762 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLU A 52 233.474 247.532 249.178 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA CYS A 53 235.001 244.237 250.331 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLU A 54 234.193 242.120 253.393 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLU A 55 232.330 244.364 255.844 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLU A 56 229.307 246.506 254.955 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA HIS A 57 225.620 246.519 253.995 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA HIS A 58 223.211 249.413 254.579 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA HIS A 59 223.145 252.950 253.164 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 223.601 256.596 254.172 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA HIS A 61 223.595 258.830 251.086 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLN A 62 222.884 262.485 250.278 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA HIS A 63 223.107 264.503 247.054 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLU A 64 225.981 265.577 244.796 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA HIS A 65 225.996 266.865 241.211 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ASN A 66 225.777 267.681 237.496 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA HIS A 67 223.020 269.323 235.442 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA HIS A 68 222.325 272.568 233.571 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ALA A 69 220.646 275.986 233.665 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA HIS A 70 217.010 276.801 234.461 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ASP A 71 215.677 274.458 237.154 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLY A 72 216.083 270.762 236.326 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA HIS A 73 214.950 269.460 232.929 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ASP A 74 215.511 265.709 232.573 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA HIS A 75 216.207 262.484 230.668 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ALA A 76 215.494 258.778 231.196 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA HIS A 77 216.759 256.524 228.397 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLY A 78 218.684 253.474 227.169 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA CYS A 79 222.281 253.674 225.930 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA CYS A 80 225.729 254.793 227.102 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ASP A 81 229.065 256.555 226.564 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA SER A 82 231.549 254.523 228.618 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ASN A 83 232.922 252.339 231.421 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ALA A 84 236.402 252.707 232.928 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA PRO A 85 238.700 249.668 232.944 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA VAL A 86 240.244 246.266 232.202 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA SER A 87 242.170 244.201 234.761 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ASN A 88 244.859 246.186 236.589 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA VAL A 89 247.594 248.073 238.453 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA GLU A 90 249.793 251.159 238.057 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA PRO A 91 251.015 252.896 234.894 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLU A 92 251.765 256.617 235.232 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA LYS A 93 253.421 258.643 238.000 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ILE A 94 257.054 259.783 237.864 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA ALA A 95 259.728 260.898 240.340 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLN A 96 262.243 261.701 243.086 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA GLN A 97 264.789 259.771 245.161 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ARG A 98 268.554 260.295 245.427 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA PHE A 99 271.879 258.589 246.165 1.00 0.00 C
|
| 102 |
+
TER 100 PHE A 99
|
| 103 |
+
END
|
Bacteria/O51559/O51559.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:c7a3fae42bb487d489c05d4ceb3c11eae8e48faaf5ad33fd0aaf42b040df79bf
|
| 3 |
+
size 6800276
|
Bacteria/O51559/top.pdb
ADDED
|
@@ -0,0 +1,54 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 232.699 269.484 258.907 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LYS A 2 235.523 267.027 259.620 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ASP A 3 238.711 269.002 260.291 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 241.732 266.686 260.448 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA VAL A 5 242.140 264.036 257.741 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 244.933 261.777 256.473 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LYS A 7 247.634 259.562 257.995 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 249.905 257.224 256.021 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 250.688 257.743 252.329 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 252.486 255.517 249.813 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASN A 11 253.271 257.787 246.856 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 250.997 257.708 243.800 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 252.761 255.443 241.296 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 254.197 252.549 239.275 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA PHE A 15 256.765 249.738 239.412 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA SER A 16 258.330 246.946 237.345 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 260.197 244.412 239.491 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLN A 18 259.395 240.711 239.912 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA PRO A 19 256.339 239.546 237.957 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ASN A 20 253.825 238.428 240.593 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA VAL A 21 250.582 236.790 241.739 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LYS A 22 248.173 238.739 243.956 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 244.568 237.508 244.004 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LEU A 24 242.289 239.808 241.996 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 241.606 239.921 238.250 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LYS A 26 240.707 242.797 235.918 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASN A 27 241.179 246.578 235.851 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASN A 28 242.211 250.179 236.542 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA SER A 29 245.216 251.950 235.009 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA PHE A 30 247.229 253.955 237.547 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 246.809 252.853 241.170 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA CYS A 32 244.633 251.711 244.082 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PHE A 33 244.634 249.109 246.865 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ALA A 34 247.911 248.027 248.480 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA LYS A 35 251.142 247.904 246.465 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASN A 36 251.367 244.910 244.119 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ASN A 37 253.956 242.317 245.161 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA LEU A 38 256.822 242.662 247.647 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 256.200 243.207 251.366 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA LYS A 40 256.271 243.541 255.161 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 257.167 246.955 256.596 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA PHE A 42 260.072 246.853 259.060 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 262.465 248.111 261.744 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA LYS A 44 262.138 248.132 265.540 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 259.478 246.809 267.925 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA LYS A 46 255.806 247.228 267.000 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LYS A 47 253.918 248.105 270.191 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 251.224 250.357 271.670 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLY A 49 247.456 249.814 271.532 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LYS A 50 244.245 251.843 271.838 1.00 0.00 C
|
| 53 |
+
TER 51 LYS A 50
|
| 54 |
+
END
|
Bacteria/O53713/O53713.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:e9e39bc0d284a174da67ced3e6cb49a977f42960beffd08c4d1542bdf64ebd87
|
| 3 |
+
size 9560276
|
Bacteria/O53713/top.pdb
ADDED
|
@@ -0,0 +1,77 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 249.851 264.003 248.329 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA SER A 2 246.956 263.384 250.727 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLY A 3 243.832 263.849 248.595 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 241.382 262.936 245.824 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA TRP A 5 241.429 260.180 243.194 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLU A 6 243.663 257.315 242.046 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ALA A 7 241.693 254.498 240.404 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLY A 8 239.246 252.190 242.193 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ASN A 9 235.511 252.594 242.827 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 234.100 249.354 244.250 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASP A 11 232.884 247.008 241.505 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 229.229 246.327 240.675 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASN A 13 225.739 245.562 242.000 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLY A 14 225.116 242.646 244.371 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 223.066 242.293 247.563 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA SER A 16 221.480 241.563 250.949 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 222.321 238.038 252.127 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLY A 18 224.389 237.430 255.268 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA LEU A 19 227.380 236.597 257.477 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ILE A 20 226.173 233.968 259.957 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLY A 21 226.488 230.431 261.337 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 230.182 229.675 261.886 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 233.948 229.940 261.380 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 237.364 231.294 260.373 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 238.046 234.814 261.661 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 235.993 236.069 264.615 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 235.301 239.796 264.230 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASP A 28 236.197 243.217 262.813 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 238.007 243.343 259.463 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 240.755 241.364 257.716 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 240.968 242.526 254.094 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 240.550 245.301 251.517 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLY A 33 242.683 248.366 250.759 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ALA A 34 246.129 247.738 249.260 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA THR A 35 249.810 247.640 250.237 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLY A 36 251.111 246.895 253.739 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 250.840 244.290 256.507 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 253.318 241.690 257.777 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 256.593 243.610 258.097 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLU A 40 257.225 245.970 255.173 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 257.489 249.149 253.089 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 256.339 250.515 249.724 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ASP A 43 259.128 250.434 247.129 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ALA A 44 257.399 251.184 243.817 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 258.204 250.878 240.106 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ALA A 46 261.234 252.806 238.834 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA SER A 47 263.449 253.535 235.821 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLY A 48 266.109 251.290 234.271 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 267.847 249.768 231.242 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ILE A 50 270.853 250.786 229.134 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ASN A 51 274.046 252.839 229.469 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 276.045 251.295 232.321 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASN A 53 275.154 252.348 235.872 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ALA A 54 272.900 251.531 238.834 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 270.789 251.829 241.991 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ASP A 56 269.316 255.329 242.297 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA PRO A 57 266.525 257.896 241.929 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLY A 58 263.771 259.810 243.736 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ASN A 59 260.388 260.484 245.354 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA SER A 60 258.727 257.356 246.758 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLY A 61 256.489 258.446 249.643 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLU A 62 254.709 261.465 251.138 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ARG A 63 254.279 261.629 254.920 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLY A 64 257.411 260.203 256.555 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ALA A 65 258.990 259.654 259.979 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA VAL A 66 260.571 258.959 263.375 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLY A 67 263.152 256.665 264.986 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA LYS A 68 266.940 257.066 265.016 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA PRO A 69 268.897 258.847 262.275 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLY A 70 271.391 261.382 260.906 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ALA A 71 272.896 264.054 258.645 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA PRO A 72 271.663 263.736 255.054 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLY A 73 269.951 261.130 252.865 1.00 0.00 C
|
| 76 |
+
TER 74 GLY A 73
|
| 77 |
+
END
|
Bacteria/O53824/O53824.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:b03a860ffc70f0070f0cbf95a53f5be6ab8885e1402e8f094cacaad2160ca925
|
| 3 |
+
size 8000276
|
Bacteria/O53824/top.pdb
ADDED
|
@@ -0,0 +1,64 @@
|
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|
|
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|
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|
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|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 248.811 271.554 233.035 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 247.986 270.082 236.452 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 247.511 266.916 238.517 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 247.708 267.564 242.266 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 249.522 269.079 245.255 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ALA A 6 252.558 271.331 244.780 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LYS A 7 256.244 270.523 244.253 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ALA A 8 256.437 267.258 242.299 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LYS A 9 257.190 264.656 239.620 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLN A 10 256.827 261.952 236.960 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA THR A 11 257.465 258.270 236.221 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 254.728 256.184 234.584 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA VAL A 13 252.434 258.467 232.573 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ALA A 14 248.942 259.538 233.656 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ARG A 15 246.238 257.185 232.364 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLU A 16 244.385 255.971 229.264 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LEU A 17 241.541 256.389 226.764 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LYS A 18 239.022 258.801 228.299 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA TYR A 19 237.072 257.419 231.266 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 234.468 255.835 233.552 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 232.377 252.703 232.973 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 234.928 249.911 232.517 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLN A 23 238.414 248.502 233.138 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA THR A 24 240.416 250.698 235.522 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASP A 25 238.787 252.776 238.269 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PHE A 26 239.647 253.412 241.926 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLN A 27 241.777 253.578 245.080 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ARG A 28 240.503 251.436 247.962 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LEU A 29 237.247 252.625 249.541 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLN A 30 235.094 250.603 251.948 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 235.405 246.892 252.751 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLU A 32 236.570 243.805 250.846 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA LEU A 33 239.973 242.313 250.002 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 241.813 238.980 250.153 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 245.390 239.463 248.934 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA THR A 36 247.481 236.554 247.636 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 248.495 234.348 250.572 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA THR A 38 249.081 231.825 253.366 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASP A 39 251.279 229.659 255.601 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ARG A 40 254.436 231.248 257.026 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA LEU A 41 256.464 229.572 259.782 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ASP A 42 259.768 228.589 258.161 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLY A 43 262.548 231.048 259.022 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASP A 44 263.480 230.532 262.679 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 260.624 230.787 265.188 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA PRO A 46 260.957 233.444 267.899 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA SER A 47 258.776 235.889 269.845 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ASP A 48 257.285 239.031 268.289 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ASP A 49 256.094 242.543 267.417 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 252.369 243.135 266.880 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA SER A 51 251.297 246.769 267.285 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA TRP A 52 253.211 250.064 267.271 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASN A 53 255.711 252.929 267.509 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ASP A 54 256.832 255.702 269.869 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLU A 55 260.439 255.630 271.095 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ASP A 56 262.365 253.348 268.729 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ASP A 57 265.177 251.443 270.454 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA TRP A 58 267.746 250.500 273.106 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ARG A 59 267.095 248.111 276.002 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ARG A 60 265.561 244.631 275.775 1.00 0.00 C
|
| 63 |
+
TER 61 ARG A 60
|
| 64 |
+
END
|
Bacteria/O54123/O54123.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:c774c6962697d14fd92cfdb4d16df4bc2b302feb4f818937f2310b27849e5828
|
| 3 |
+
size 9560276
|
Bacteria/O54123/top.pdb
ADDED
|
@@ -0,0 +1,77 @@
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 268.596 279.074 288.421 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA TRP A 2 268.831 281.031 285.161 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA HIS A 3 266.243 281.337 282.382 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLN A 4 267.481 282.638 279.022 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA VAL A 5 264.748 284.832 277.527 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 264.059 284.621 273.786 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 261.507 283.435 271.218 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 258.847 282.842 268.556 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 259.893 280.146 266.076 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 260.870 279.461 262.457 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 258.732 278.193 259.570 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ALA A 12 259.304 278.508 255.817 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 259.219 278.213 252.019 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA VAL A 14 261.516 276.556 249.471 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 265.126 276.821 248.284 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 266.623 276.218 244.833 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASP A 17 265.360 275.797 241.263 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASP A 18 263.406 276.974 238.211 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA VAL A 19 262.167 273.849 236.418 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ASP A 20 260.036 270.793 237.214 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ASP A 21 256.843 269.880 239.082 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 257.188 266.703 241.157 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ALA A 23 257.711 263.446 239.250 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ARG A 24 259.788 260.743 240.952 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 261.858 257.574 240.516 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ARG A 26 265.541 257.677 239.544 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA VAL A 27 266.225 256.310 236.055 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLY A 28 267.428 253.789 233.463 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 264.674 252.025 231.508 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LEU A 30 264.766 248.291 230.756 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ILE A 31 265.470 245.155 232.801 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA SER A 32 264.083 241.659 232.195 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLN A 33 261.714 240.782 235.048 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ALA A 34 258.790 238.365 235.396 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 257.700 234.749 234.894 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 255.660 231.553 235.272 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLU A 37 251.991 232.538 235.566 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 251.537 236.065 234.197 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASP A 39 248.299 238.049 234.502 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA PRO A 40 244.510 238.406 234.326 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLU A 41 241.604 236.185 233.259 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLN A 42 238.299 235.093 234.808 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ALA A 43 235.486 234.159 232.415 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ALA A 44 232.982 231.895 234.181 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ARG A 45 229.449 232.740 235.330 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 228.243 234.816 238.289 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA THR A 47 226.887 232.900 241.289 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA VAL A 48 229.072 230.872 243.662 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 231.931 230.354 246.127 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA SER A 50 234.463 233.104 245.388 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 236.673 235.729 243.733 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA SER A 52 234.975 237.904 241.106 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLY A 53 232.786 240.594 242.683 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLY A 54 232.364 243.714 244.828 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 235.709 244.681 246.375 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 235.165 244.956 250.136 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA VAL A 57 235.273 244.070 253.840 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 233.356 240.888 254.687 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA VAL A 59 230.459 238.450 255.106 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ILE A 60 229.991 235.347 257.267 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLY A 61 232.287 233.170 259.389 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA SER A 62 235.508 231.466 260.501 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA HIS A 63 236.062 228.661 263.020 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ARG A 64 236.142 225.366 261.110 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLY A 65 239.200 225.446 258.837 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ARG A 66 242.501 227.247 259.448 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ARG A 67 245.729 226.684 261.392 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA CYS A 68 247.219 229.649 263.263 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA CYS A 69 248.035 230.215 266.941 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ARG A 70 247.092 231.249 270.485 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA GLY A 71 245.748 228.321 272.519 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ARG A 72 243.488 225.629 271.048 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA SER A 73 241.488 223.349 273.353 1.00 0.00 C
|
| 76 |
+
TER 74 SER A 73
|
| 77 |
+
END
|
Bacteria/O54669/O54669.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9cab7a3eb75251da4c742b5e6a56e3858102963450d23a533e7d1c2b984872b2
|
| 3 |
+
size 7040276
|
Bacteria/O54669/top.pdb
ADDED
|
@@ -0,0 +1,56 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 246.564 263.783 232.681 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 246.839 261.165 229.927 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLU A 3 248.379 258.433 227.762 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LEU A 4 249.401 254.839 227.018 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLU A 5 249.316 251.073 226.449 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA SER A 6 251.446 248.488 228.266 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LYS A 7 254.927 249.004 229.725 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ILE A 8 257.766 248.342 227.272 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLN A 9 261.057 246.806 228.423 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLU A 10 260.791 243.055 229.037 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA THR A 11 257.789 240.822 228.317 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLN A 12 255.042 239.869 230.779 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LYS A 13 252.321 239.404 233.405 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA LYS A 14 250.865 240.849 236.616 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LEU A 15 250.464 240.041 240.318 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ASP A 16 251.836 242.470 242.913 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA TYR A 17 249.286 243.996 245.298 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLU A 18 246.406 244.494 247.742 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ASN A 19 245.072 245.100 251.259 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA MET A 20 244.583 241.840 253.169 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA PRO A 21 242.542 241.600 256.377 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 240.478 239.826 259.044 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 241.686 236.951 261.233 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 243.157 237.031 264.746 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 245.111 238.914 267.421 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LEU A 26 246.715 242.004 268.968 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA HIS A 27 250.492 242.155 269.442 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 251.781 241.313 272.927 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 255.378 240.056 272.946 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASP A 30 258.354 239.733 270.589 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLU A 31 258.864 241.303 267.155 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ASP A 32 261.524 242.509 264.708 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASP A 33 261.501 243.560 261.046 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA THR A 34 262.709 241.404 258.146 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA VAL A 35 261.579 243.168 254.963 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 259.201 246.143 255.079 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 255.508 245.212 255.009 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA LYS A 38 252.257 247.197 254.936 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA LEU A 39 250.183 249.251 252.487 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA MET A 40 247.745 251.380 250.477 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 245.098 252.637 252.912 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLU A 42 244.496 256.041 254.513 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA LYS A 43 246.843 258.972 255.162 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 245.500 262.116 256.844 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ALA A 45 247.932 264.346 258.749 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA LEU A 46 248.218 268.096 258.142 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LYS A 47 245.214 270.359 258.757 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ALA A 48 241.465 269.685 258.702 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLU A 49 239.375 271.477 256.068 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LEU A 50 238.895 275.049 254.832 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLN A 51 239.511 276.677 251.443 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA LYS A 52 240.536 279.959 249.801 1.00 0.00 C
|
| 55 |
+
TER 53 LYS A 52
|
| 56 |
+
END
|
Bacteria/O66563/O66563.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:6932291b2d2aa5aa4cf69ccb6f3ba26fc47a7aabed71ccc3a580f9e6af0a1696
|
| 3 |
+
size 6440276
|
Bacteria/O66563/top.pdb
ADDED
|
@@ -0,0 +1,51 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 227.708 265.767 235.218 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA VAL A 2 226.472 262.313 234.189 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 227.722 258.942 235.448 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLU A 4 226.078 255.557 236.046 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 227.444 253.257 238.758 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LEU A 6 229.146 254.512 241.927 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LYS A 7 226.526 256.123 244.176 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 222.886 255.151 244.745 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA HIS A 9 221.790 256.907 247.943 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ILE A 10 222.129 259.484 250.729 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 224.647 260.832 253.250 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ILE A 12 227.696 260.108 255.417 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LYS A 13 230.962 258.149 255.311 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA LYS A 14 234.724 257.621 255.012 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LYS A 15 237.948 255.737 254.255 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 240.053 257.413 251.559 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 243.397 256.053 250.339 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LYS A 18 246.989 254.874 249.864 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 249.923 254.810 247.434 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 250.833 251.705 245.423 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA PHE A 21 252.140 248.522 247.060 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LEU A 22 251.633 245.425 244.898 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ALA A 23 252.151 242.238 246.920 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ARG A 24 253.202 240.900 250.329 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA MET A 25 250.711 238.856 252.362 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ARG A 26 250.054 239.325 256.085 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA THR A 27 252.948 238.528 258.433 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA LYS A 28 255.026 235.416 259.147 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA SER A 29 257.144 232.736 260.836 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 259.644 233.966 263.435 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 261.777 235.155 266.360 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LYS A 32 263.550 238.407 267.253 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ILE A 33 266.323 238.756 264.664 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ILE A 34 268.999 240.234 262.391 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ALA A 35 269.855 243.783 261.300 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 269.386 244.265 257.550 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 271.606 244.413 254.457 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ARG A 38 271.709 242.748 251.032 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 269.281 243.336 248.155 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA LYS A 40 269.069 246.719 246.415 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 270.590 249.115 243.873 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ARG A 42 271.326 252.704 242.826 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA LYS A 43 273.894 255.503 242.532 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ARG A 44 272.661 258.796 241.066 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA LEU A 45 268.985 259.517 241.763 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ALA A 46 266.887 257.884 244.492 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA PRO A 47 264.374 257.436 247.321 1.00 0.00 C
|
| 50 |
+
TER 48 PRO A 47
|
| 51 |
+
END
|
Bacteria/O68192/O68192.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:77f073949a3cbc39a362227555cd7f88468689fa13e3824b106ce3758a51e6c5
|
| 3 |
+
size 17480276
|
Bacteria/O68192/top.pdb
ADDED
|
@@ -0,0 +1,143 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 306.293 218.080 241.257 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ASN A 2 306.086 219.359 244.840 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ASN A 3 306.147 220.917 248.317 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASN A 4 303.018 222.761 249.468 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 299.737 222.794 247.532 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ASN A 6 297.964 224.893 244.892 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LYS A 7 295.049 227.181 245.776 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA THR A 8 296.159 230.713 246.677 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLN A 9 296.901 233.459 249.211 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 297.222 236.876 247.555 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 298.568 239.732 249.687 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA THR A 12 296.975 240.446 253.074 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASN A 13 294.783 241.504 256.005 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ILE A 14 291.640 243.108 257.442 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ASN A 15 290.472 246.048 259.565 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLN A 16 287.545 246.071 262.004 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA VAL A 17 284.528 247.478 260.151 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LYS A 18 281.718 248.109 262.645 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA LYS A 19 278.348 248.385 264.401 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLN A 20 275.386 250.780 264.467 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ASN A 21 272.482 250.393 266.903 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ALA A 22 269.356 251.753 265.203 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ALA A 23 266.482 252.770 267.489 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA SER A 24 263.297 250.685 267.636 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 259.565 251.002 268.332 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLN A 26 258.321 254.226 266.727 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 260.549 256.139 264.300 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLN A 28 258.706 258.051 261.567 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLN A 29 259.150 257.574 257.813 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA TYR A 30 258.867 260.318 255.185 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLN A 31 259.339 263.760 256.748 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA THR A 32 261.508 266.705 255.681 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 263.145 269.361 257.868 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PHE A 34 262.115 273.029 257.824 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ALA A 35 261.329 276.438 256.315 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA SER A 36 264.083 278.891 257.273 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLU A 37 267.153 277.944 259.321 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA THR A 38 269.237 280.175 261.600 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASN A 39 271.536 282.917 262.909 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ALA A 40 271.432 284.041 266.548 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLN A 41 273.076 283.846 269.980 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLU A 42 275.616 283.804 272.819 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA VAL A 43 278.737 285.956 273.194 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ARG A 44 281.388 288.532 272.271 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLN A 45 283.560 291.357 270.923 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLN A 46 287.358 291.317 270.617 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ASN A 47 290.541 289.236 270.846 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ALA A 48 290.237 285.818 269.191 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ALA A 49 286.634 284.579 269.230 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA SER A 50 283.462 282.488 269.512 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ALA A 51 281.719 279.834 267.407 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLN A 52 281.560 276.164 266.395 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ALA A 53 279.438 274.368 263.790 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLN A 54 277.647 271.147 262.821 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ARG A 55 276.537 269.527 266.085 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ASN A 56 274.896 269.873 269.507 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ARG A 57 272.077 267.443 270.322 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ASN A 58 269.087 269.231 271.864 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ALA A 59 265.734 269.391 273.668 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ALA A 60 264.376 265.863 274.134 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA SER A 61 261.005 264.135 274.549 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ASN A 62 259.679 262.484 271.382 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA VAL A 63 257.840 261.540 268.181 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ASN A 64 254.957 260.726 265.826 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLN A 65 251.360 259.997 264.805 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLN A 66 250.050 257.509 262.235 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA TYR A 67 247.777 254.594 263.158 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ALA A 68 248.482 251.057 261.928 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ALA A 69 246.563 247.977 260.767 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLU A 70 246.225 244.182 260.766 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA PHE A 71 247.452 240.594 261.136 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ALA A 72 248.761 238.103 258.567 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA SER A 73 248.626 238.064 254.760 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLU A 74 246.658 241.005 253.346 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA THR A 75 244.587 244.101 254.146 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ASN A 76 244.969 247.844 254.749 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ALA A 77 245.867 249.966 251.715 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLN A 78 243.413 252.690 250.678 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLU A 79 242.522 253.958 247.197 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA VAL A 80 240.155 255.561 244.678 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ARG A 81 237.908 253.369 242.519 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLN A 82 234.492 252.545 243.990 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLN A 83 233.026 249.148 243.076 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ASN A 84 229.715 247.478 242.204 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ALA A 85 227.324 247.606 239.241 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ALA A 86 226.556 244.246 237.616 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA SER A 87 224.828 243.711 234.263 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ARG A 88 225.781 242.667 230.725 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ASN A 89 228.378 244.735 228.856 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ALA A 90 231.530 245.785 226.991 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ASN A 91 233.617 243.418 224.856 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ALA A 92 237.077 241.846 224.584 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA THR A 93 240.095 241.362 226.859 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA SER A 94 242.374 240.264 229.708 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLY A 95 243.322 239.189 233.238 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLN A 96 242.281 240.078 236.794 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA ALA A 97 240.803 237.604 239.287 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA GLN A 98 239.254 234.124 239.293 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ARG A 99 238.795 232.716 235.783 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ASN A 100 236.781 235.313 233.855 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA PHE A 101 235.540 238.547 235.441 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ALA A 102 232.253 240.145 234.365 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA ALA A 103 228.850 238.880 235.522 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLN A 104 225.533 237.108 236.133 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA SER A 105 225.318 233.504 234.915 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA GLN A 106 225.327 229.887 236.110 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLN A 107 225.638 229.362 239.871 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA TYR A 108 224.768 232.720 241.449 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA ARG A 109 227.688 233.994 243.538 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ALA A 110 226.938 236.121 246.608 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA GLU A 111 225.510 235.168 250.009 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA PHE A 112 222.005 236.132 251.152 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ALA A 113 218.663 235.627 249.395 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA SER A 114 217.055 235.109 245.979 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLU A 115 215.939 237.654 243.373 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA THR A 116 217.426 241.101 242.723 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA ASP A 117 216.181 244.692 242.452 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA VAL A 118 213.196 245.692 244.598 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLN A 119 210.076 247.407 245.954 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA GLN A 120 207.325 249.059 243.900 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA VAL A 121 204.655 247.121 241.994 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA LYS A 122 205.789 244.063 240.026 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA LYS A 123 203.797 242.382 237.246 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA GLN A 124 204.299 240.910 233.768 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ASN A 125 206.179 243.317 231.489 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA ALA A 126 208.055 243.889 228.223 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA GLN A 127 205.731 244.699 225.315 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA SER A 128 202.034 245.523 224.901 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA GLN A 129 198.975 244.807 227.056 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA ALA A 130 199.425 241.394 228.687 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA ARG A 131 202.004 239.579 226.549 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA LYS A 132 204.068 236.389 226.836 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA LYS A 133 207.541 237.291 228.116 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA ASN A 134 209.835 234.424 227.100 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA SER A 135 212.168 232.690 224.637 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA SER A 136 210.562 229.439 223.468 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA PHE A 137 208.685 226.218 222.680 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA ASN A 138 205.048 225.285 222.032 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA GLN A 139 203.159 224.741 225.295 1.00 0.00 C
|
| 142 |
+
TER 140 GLN A 139
|
| 143 |
+
END
|
Bacteria/O68193/O68193.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:752a894ce8f25d7fb15b8908582e0dae6f678876b010f59909944fc7f39129c5
|
| 3 |
+
size 8000276
|
Bacteria/O68193/top.pdb
ADDED
|
@@ -0,0 +1,64 @@
|
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|
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|
|
|
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|
|
|
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|
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|
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|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 243.704 261.855 254.107 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 240.571 263.922 253.454 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LYS A 3 240.442 267.432 254.932 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLN A 4 242.901 269.972 253.512 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 245.266 272.912 252.981 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LYS A 6 243.745 276.384 252.600 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 245.976 279.016 254.216 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ASN A 8 246.787 282.640 253.363 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LYS A 9 248.685 283.200 250.108 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA THR A 10 252.273 283.991 251.118 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 253.721 282.470 254.297 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ALA A 12 254.316 279.854 257.002 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 255.317 276.231 257.626 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA THR A 14 252.180 274.201 256.881 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ASP A 15 249.819 271.293 257.576 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 251.001 267.673 257.682 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LYS A 17 252.337 265.597 254.780 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA HIS A 18 252.184 262.101 253.273 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA VAL A 19 249.499 259.405 253.078 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA LYS A 20 248.336 255.921 252.066 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLN A 21 248.379 253.162 249.439 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLN A 22 245.339 251.338 248.043 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ASN A 23 242.276 253.177 249.368 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLN A 24 241.387 252.966 253.067 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLN A 25 238.622 251.072 254.879 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 236.480 248.183 256.137 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 238.547 246.370 258.774 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLN A 28 240.668 243.304 257.989 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLN A 29 241.144 239.598 257.245 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASN A 30 241.031 237.054 254.412 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLN A 31 243.417 237.605 251.494 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ASN A 32 243.158 234.421 249.418 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLN A 33 243.460 231.357 251.662 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLN A 34 243.909 228.074 249.780 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA TYR A 35 244.210 228.471 246.003 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLY A 36 241.603 228.236 243.234 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 238.436 230.320 242.856 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLU A 38 239.152 234.028 243.362 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA PHE A 39 242.102 236.168 242.251 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ALA A 40 245.889 236.472 241.976 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 247.490 239.147 244.167 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLN A 42 251.274 239.554 243.979 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA THR A 43 253.004 242.158 246.156 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASP A 44 251.932 244.954 248.512 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ALA A 45 252.915 246.295 251.940 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLN A 46 255.586 245.964 254.637 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLN A 47 258.290 244.911 257.106 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA VAL A 48 260.743 242.056 257.697 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ARG A 49 259.733 239.337 255.227 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLU A 50 262.361 236.582 255.080 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLN A 51 262.495 235.412 251.456 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ASN A 52 265.497 236.973 249.705 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLN A 53 266.444 234.944 246.623 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLN A 54 264.221 232.755 244.435 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA SER A 55 263.402 230.298 241.641 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLN A 56 264.878 231.840 238.485 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ALA A 57 262.890 233.951 236.013 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA LYS A 58 264.452 236.098 233.281 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LYS A 59 262.304 236.103 230.134 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA LYS A 60 261.820 233.226 227.683 1.00 0.00 C
|
| 63 |
+
TER 61 LYS A 60
|
| 64 |
+
END
|
Bacteria/O68194/O68194.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9193af0a8d223e8df13e4d51338a382ec694fab1dfb10b3af73cab57e4c61bc4
|
| 3 |
+
size 13280276
|
Bacteria/O68194/top.pdb
ADDED
|
@@ -0,0 +1,108 @@
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 252.852 281.252 264.130 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLN A 2 254.717 277.954 263.730 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LYS A 3 255.968 277.500 260.160 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LYS A 4 257.612 274.064 260.080 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 256.896 270.684 261.685 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LYS A 6 253.548 270.098 263.407 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 251.634 267.791 265.758 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ASN A 8 250.085 264.894 267.688 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 250.064 261.096 267.990 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLN A 10 247.710 258.532 266.439 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA LEU A 11 244.613 256.410 267.089 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ASP A 12 241.428 258.473 266.751 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA PRO A 13 239.102 256.865 264.197 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 240.838 255.241 261.220 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA MET A 15 240.367 255.037 257.444 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA THR A 16 241.876 256.541 254.285 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASP A 17 239.355 257.923 251.785 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ALA A 18 238.827 256.645 248.235 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ASN A 19 240.423 258.753 245.492 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLN A 20 243.314 261.204 245.879 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA VAL A 21 242.442 264.913 245.883 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LYS A 22 243.688 267.320 248.561 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA LYS A 23 244.094 271.046 249.242 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLN A 24 246.540 271.735 252.081 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASN A 25 248.451 269.843 254.780 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 248.354 266.218 253.612 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLN A 27 247.244 262.573 253.682 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 248.878 259.941 251.465 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA SER A 29 251.568 258.333 253.631 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA MET A 30 253.332 258.314 257.008 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ASN A 31 251.666 257.008 260.176 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLN A 32 254.024 255.332 262.655 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 256.293 256.797 265.343 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PHE A 34 258.213 259.894 264.230 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ALA A 35 261.680 261.390 263.725 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA SER A 36 264.836 259.588 264.868 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLU A 37 264.218 255.836 265.105 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA THR A 38 267.310 253.615 265.268 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASP A 39 268.354 251.965 268.539 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA VAL A 40 271.416 251.153 270.655 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ASN A 41 274.854 251.270 269.016 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLN A 42 278.620 251.737 269.349 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA VAL A 43 280.541 254.100 267.059 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ARG A 44 277.854 256.262 265.440 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLN A 45 275.359 258.956 264.421 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLN A 46 273.302 259.961 261.376 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ASN A 47 270.187 260.888 259.388 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ALA A 48 266.495 259.997 259.097 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLN A 49 264.193 261.496 256.457 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA SER A 50 262.214 259.669 253.763 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ALA A 51 262.278 256.238 252.106 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA MET A 52 262.686 255.171 248.472 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASN A 53 264.042 257.257 245.586 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA MET A 54 267.112 259.426 246.208 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLN A 55 268.800 261.518 243.509 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 266.687 264.673 243.197 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA SER A 57 267.009 268.468 243.099 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA SER A 58 264.160 269.903 241.015 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA SER A 59 263.183 267.940 237.899 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ALA A 60 263.263 266.880 234.241 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA MET A 61 263.428 263.922 231.845 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLN A 62 262.221 260.425 232.759 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA SER A 63 259.466 257.799 232.605 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA SER A 64 255.713 258.454 232.530 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA MET A 65 251.983 259.120 232.128 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ASN A 66 248.849 256.983 231.777 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLU A 67 247.177 254.420 234.047 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLU A 68 244.765 252.119 235.891 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA PHE A 69 244.441 251.175 239.568 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLY A 70 247.515 252.658 241.262 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA SER A 71 247.047 253.932 244.822 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLU A 72 246.740 254.502 248.577 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA THR A 73 248.110 251.704 250.769 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ASP A 74 249.301 248.101 250.427 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA VAL A 75 249.148 245.759 247.426 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ASN A 76 248.948 246.604 243.717 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLU A 77 248.237 243.853 241.179 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA VAL A 78 246.392 240.901 239.630 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA LYS A 79 243.389 240.362 241.911 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA LYS A 80 240.420 239.092 239.890 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLN A 81 238.435 238.162 236.774 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ILE A 82 235.556 240.180 235.305 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ASN A 83 234.452 240.450 231.668 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA LYS A 84 232.145 237.710 230.369 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ALA A 85 230.984 235.538 233.276 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA GLU A 86 230.101 233.317 236.243 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ALA A 87 229.370 231.811 239.665 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ASN A 88 228.625 228.105 240.141 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA LYS A 89 229.473 224.680 241.578 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA GLN A 90 230.521 222.193 244.268 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA LYS A 91 230.026 218.416 244.341 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ALA A 92 230.999 215.250 242.458 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA SER A 93 231.044 214.871 238.667 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLY A 94 232.621 217.082 235.995 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA ALA A 95 235.118 214.798 234.242 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ARG A 96 236.703 211.334 234.216 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA ALA A 97 237.565 209.335 237.343 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ASN A 98 239.083 208.859 240.805 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLN A 99 238.583 206.071 243.353 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA TYR A 100 238.980 206.526 247.115 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA LYS A 101 235.824 207.967 248.690 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLY A 102 232.428 206.601 249.747 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA SER A 103 232.312 203.645 252.148 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA ASN A 104 229.092 203.631 254.185 1.00 0.00 C
|
| 107 |
+
TER 105 ASN A 104
|
| 108 |
+
END
|
Bacteria/O68802/O68802.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:5396e250a7be47f0c2c61655e1d59ced3d1bed6c6867b90b87df8687b45ecf99
|
| 3 |
+
size 5360276
|
Bacteria/O68802/top.pdb
ADDED
|
@@ -0,0 +1,42 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 283.723 261.524 258.519 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ASN A 2 282.495 258.918 261.013 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PHE A 3 278.777 258.086 261.046 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PHE A 4 275.822 258.660 258.710 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA SER A 5 275.416 259.905 255.133 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA SER A 6 272.853 260.064 252.318 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA PRO A 7 269.205 260.529 251.321 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLY A 8 267.834 256.978 251.170 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PHE A 9 264.097 256.598 251.806 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 261.497 257.334 249.119 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 259.772 254.612 247.087 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 258.606 251.358 248.690 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LYS A 13 255.178 251.259 250.351 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 254.475 252.450 253.901 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LYS A 15 251.557 251.052 255.911 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ASP A 16 250.687 248.090 258.145 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 252.716 245.070 257.013 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA VAL A 18 252.111 242.798 254.016 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 249.815 242.522 250.988 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ARG A 20 246.274 241.122 251.108 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 244.102 243.669 252.928 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 245.128 247.129 251.707 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 247.141 249.410 249.414 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ARG A 24 246.405 248.349 245.829 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 243.156 246.489 245.121 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LEU A 26 240.138 244.176 244.891 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLN A 27 238.236 245.300 241.787 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 234.740 243.857 241.327 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASN A 29 233.293 240.450 242.229 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LEU A 30 233.008 238.073 245.193 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LEU A 31 231.973 238.184 248.858 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 229.796 241.193 249.712 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASP A 33 230.100 244.601 248.037 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 227.939 247.419 246.657 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ILE A 35 230.081 250.094 244.992 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 230.557 252.718 242.270 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA VAL A 37 227.485 254.747 241.288 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA PRO A 38 223.811 255.214 240.394 1.00 0.00 C
|
| 41 |
+
TER 39 PRO A 38
|
| 42 |
+
END
|
Bacteria/O68886/O68886.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:a064bc79c0b04eac30f8c4ca630f7952a0d5af98acc86b5041bb44a2495dc43b
|
| 3 |
+
size 5240276
|
Bacteria/O68886/top.pdb
ADDED
|
@@ -0,0 +1,41 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA LEU A 1 239.994 269.638 243.987 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ASP A 2 239.977 269.391 247.789 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLN A 3 236.853 268.948 249.925 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA VAL A 4 234.310 266.199 250.623 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA TRP A 5 233.300 263.962 247.708 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLN A 6 234.599 263.556 244.150 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLU A 7 234.767 259.892 243.120 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 237.150 256.920 243.043 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA VAL A 9 240.355 257.881 244.865 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLN A 10 244.065 257.437 244.122 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 247.750 258.175 243.497 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 249.772 261.402 243.363 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 250.858 264.759 244.800 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ALA A 14 254.478 265.944 244.732 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LEU A 15 257.675 264.169 245.804 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ASP A 16 256.898 261.854 248.728 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLY A 17 256.041 258.145 248.887 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LEU A 18 257.711 254.773 248.289 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA VAL A 19 259.117 252.027 250.524 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 259.897 253.166 254.075 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ASP A 21 262.606 250.829 255.385 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 263.305 247.086 255.252 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA LEU A 23 263.821 243.422 256.158 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA VAL A 24 263.844 240.400 258.479 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLU A 25 261.231 238.065 256.983 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 261.462 235.238 254.440 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA LEU A 27 258.279 235.147 252.348 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 254.761 235.971 253.556 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 252.826 238.581 251.566 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 249.443 240.105 252.431 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA THR A 31 245.755 239.328 252.984 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA TYR A 32 244.940 236.544 255.454 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 244.127 232.994 254.334 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA LEU A 34 245.697 229.639 253.441 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA PRO A 35 249.431 228.886 253.457 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LEU A 36 251.343 225.738 252.484 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA THR A 37 251.561 223.792 249.215 1.00 0.00 C
|
| 40 |
+
TER 38 THR A 37
|
| 41 |
+
END
|
Bacteria/O69966/O69966.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:e130633f6e7eca9907727991e0762b82ed2aab1d9dce3c5341218e9635ef9f66
|
| 3 |
+
size 12200276
|
Bacteria/O69966/top.pdb
ADDED
|
@@ -0,0 +1,99 @@
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 192.169 261.692 243.345 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 194.476 259.150 241.692 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA VAL A 3 198.119 260.168 242.151 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PHE A 4 197.985 263.120 244.556 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA THR A 5 198.080 264.412 248.139 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 196.803 263.086 251.474 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LEU A 7 193.100 263.110 252.370 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PHE A 8 190.706 263.893 255.229 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 188.873 260.802 256.493 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 188.805 257.082 257.315 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 191.957 255.129 256.436 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 194.318 252.260 257.276 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LYS A 13 197.133 249.812 258.051 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA THR A 14 200.564 250.475 259.569 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLU A 15 203.107 253.234 260.232 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ALA A 16 206.269 253.502 258.124 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 208.257 253.740 254.882 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 210.113 256.412 252.900 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 213.364 255.716 251.039 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 215.913 257.783 249.103 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLU A 21 219.399 256.311 249.545 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA THR A 22 222.837 254.692 249.813 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 226.491 254.988 248.773 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA THR A 24 230.162 254.790 247.775 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASP A 25 232.365 256.357 245.090 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA VAL A 26 234.995 258.630 246.650 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA PRO A 27 237.658 261.236 247.443 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASP A 28 238.314 264.872 246.512 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA THR A 29 241.230 267.319 246.668 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 243.049 270.652 246.349 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 243.810 273.160 249.115 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ALA A 32 247.018 273.311 251.164 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ALA A 33 250.148 275.467 251.433 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLU A 34 252.957 276.804 249.233 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ALA A 35 253.955 280.200 250.644 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LYS A 36 253.212 283.698 251.957 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 250.222 285.695 253.218 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 249.657 285.303 256.966 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLU A 39 251.269 285.654 260.400 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ALA A 40 254.873 284.950 261.415 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ALA A 41 257.181 281.918 261.416 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 257.686 279.654 258.393 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ALA A 43 257.989 276.160 259.881 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ALA A 44 255.724 273.460 261.329 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLU A 45 254.265 272.530 264.724 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA PRO A 46 255.509 273.385 268.222 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ALA A 47 258.618 275.350 269.216 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ASP A 48 261.863 277.113 270.152 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ALA A 49 265.457 278.228 269.555 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLY A 50 267.681 276.665 272.225 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA PRO A 51 268.686 273.146 271.167 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 270.760 270.972 268.825 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASN A 53 271.027 267.488 270.343 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA THR A 54 270.687 263.781 269.531 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ALA A 55 271.298 261.621 266.452 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLU A 56 269.824 260.619 263.085 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ALA A 57 266.951 258.728 261.446 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLY A 58 263.152 258.471 261.315 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLU A 59 262.022 255.004 260.212 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ALA A 60 263.109 251.364 260.512 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ASP A 61 263.314 247.907 258.923 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLY A 62 262.585 245.627 255.959 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA THR A 63 262.743 242.602 253.649 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA SER A 64 260.519 239.963 252.035 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ALA A 65 261.966 236.464 252.468 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLU A 66 265.695 236.666 253.221 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 269.194 235.646 254.330 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 272.077 236.210 251.904 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ASP A 69 275.224 234.543 253.260 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA PRO A 70 278.231 232.711 254.714 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA GLU A 71 281.186 232.984 257.104 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 284.041 230.996 255.550 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA VAL A 73 282.379 228.420 253.287 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLY A 74 281.768 227.900 249.563 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ILE A 75 283.705 225.520 247.304 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA PRO A 76 286.133 222.964 245.859 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA LYS A 77 286.681 219.460 244.469 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLN A 78 289.993 217.769 243.638 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLN A 79 290.141 216.007 240.263 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA SER A 80 288.201 213.782 237.855 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ALA A 81 286.150 211.028 236.203 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLY A 82 282.728 210.154 237.632 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLU A 83 281.753 206.747 236.231 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ALA A 84 280.953 205.593 232.690 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA VAL A 85 278.818 206.588 229.695 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ASP A 86 279.217 208.223 226.276 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ASN A 87 277.387 207.491 223.016 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA GLU A 88 275.162 210.449 222.112 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ALA A 89 275.678 213.453 219.825 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ASP A 90 275.671 217.139 218.863 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA LYS A 91 273.368 219.254 216.685 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLY A 92 269.796 220.473 216.162 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ALA A 93 267.132 217.795 215.663 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ARG A 94 268.647 214.301 215.764 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA THR A 95 268.543 212.846 219.284 1.00 0.00 C
|
| 98 |
+
TER 96 THR A 95
|
| 99 |
+
END
|
Bacteria/O82907/O82907.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:94b2db6ec5d1d211c5dc26248c5ab346e76e254ed25df7142f9d482e2b21a090
|
| 3 |
+
size 18920276
|
Bacteria/O82907/top.pdb
ADDED
|
@@ -0,0 +1,155 @@
|
|
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|
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|
|
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|
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|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 279.732 340.582 308.463 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 283.345 339.514 309.032 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PRO A 3 284.963 336.294 310.269 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASP A 4 288.535 335.957 308.988 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA THR A 5 289.307 332.259 308.490 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA THR A 6 289.633 328.618 307.417 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA THR A 7 290.116 326.001 304.690 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLY A 8 287.577 323.363 303.636 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 285.636 322.103 306.662 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA HIS A 10 283.894 324.661 308.884 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 284.273 326.030 312.420 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 287.421 326.812 314.418 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLN A 13 290.790 328.363 313.546 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 294.141 329.998 312.765 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ARG A 15 296.889 329.785 310.135 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLU A 16 300.494 328.724 309.505 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 302.622 325.980 307.939 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ARG A 18 304.960 323.602 306.096 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA PHE A 19 303.607 320.150 305.220 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 300.582 318.932 303.250 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LYS A 21 298.776 317.045 300.476 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ARG A 22 300.017 317.278 296.881 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 300.083 313.980 294.975 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA CYS A 24 297.686 311.122 294.200 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PRO A 25 295.561 308.016 293.605 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LEU A 26 292.138 308.844 292.152 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA HIS A 27 290.178 307.711 289.087 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 289.635 310.767 286.877 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 286.168 311.341 285.404 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 284.754 313.183 282.384 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LEU A 31 281.286 314.652 282.955 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LEU A 32 281.269 318.369 282.117 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 281.554 318.578 278.323 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 282.762 318.141 274.736 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA CYS A 35 285.777 315.817 274.910 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 287.192 313.064 272.689 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLU A 37 289.610 310.435 274.017 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ARG A 38 292.557 309.119 276.041 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 295.094 306.530 274.867 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA PRO A 40 293.415 303.139 274.421 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ARG A 41 291.220 300.086 273.808 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ARG A 42 290.454 296.355 273.887 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ASP A 43 290.259 293.651 271.209 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ARG A 44 288.432 295.141 268.217 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 287.320 295.522 264.592 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 285.452 295.597 261.273 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ALA A 47 284.528 298.981 259.786 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA THR A 48 285.876 300.037 256.383 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLY A 49 286.855 300.215 252.705 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA THR A 50 286.374 297.133 250.518 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA VAL A 51 287.237 293.595 249.399 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ALA A 52 290.441 292.688 247.548 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ALA A 53 292.290 291.628 244.390 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA SER A 54 293.467 290.679 240.893 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PRO A 55 292.986 288.121 238.110 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 289.955 287.902 235.812 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA PHE A 57 287.006 286.507 233.844 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ALA A 58 283.819 288.523 234.386 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA SER A 59 280.510 286.642 234.235 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 277.522 284.519 233.194 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA MET A 61 276.085 281.791 235.432 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLU A 62 276.645 278.074 234.811 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 275.336 274.502 235.021 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ARG A 64 272.331 272.255 234.360 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLN A 65 269.068 271.467 232.557 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLY A 66 265.710 270.604 234.134 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLY A 67 263.450 267.537 234.172 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ASP A 68 260.763 264.899 234.756 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA SER A 69 260.374 261.578 232.931 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA SER A 70 259.207 257.987 232.417 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ALA A 71 261.938 255.485 233.311 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLY A 72 265.273 254.091 232.105 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA SER A 73 266.041 252.599 228.685 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA VAL A 74 266.062 249.265 226.840 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA HIS A 75 266.318 247.536 223.455 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ASP A 76 266.293 243.752 223.015 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA SER A 77 265.789 240.215 224.339 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA PRO A 78 267.117 236.660 224.001 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA PRO A 79 269.627 235.725 221.290 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ARG A 80 268.625 232.665 219.253 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLN A 81 265.322 231.333 220.608 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLY A 82 262.913 228.403 220.252 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ASP A 83 259.959 227.999 222.623 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ALA A 84 256.675 227.613 220.730 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ARG A 85 254.731 224.339 220.834 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA LYS A 86 252.709 221.419 219.454 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ARG A 87 250.647 219.053 217.295 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA HIS A 88 250.190 215.599 218.837 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA LYS A 89 250.514 212.111 220.336 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA GLN A 90 247.115 210.906 221.565 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA GLU A 91 244.401 208.518 222.767 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ASN A 92 246.060 205.921 225.008 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ASN A 93 246.675 204.854 228.614 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA LYS A 94 246.641 206.360 232.113 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA THR A 95 244.778 206.136 235.429 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ASP A 96 241.255 204.988 234.541 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA SER A 97 240.533 206.714 231.222 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ASN A 98 237.521 205.475 229.244 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLN A 99 234.222 203.753 228.430 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA SER A 100 231.220 201.508 227.747 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA SER A 101 228.243 202.504 225.587 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ARG A 102 226.685 205.471 227.400 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA LYS A 103 224.431 205.405 230.471 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA LYS A 104 221.478 203.051 230.977 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA LYS A 105 219.192 201.274 233.452 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ASN A 106 218.948 203.233 236.711 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA SER A 107 216.223 204.336 239.135 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA SER A 108 213.628 202.613 241.329 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA SER A 109 211.336 200.143 243.107 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA SER A 110 210.057 197.099 241.205 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA SER A 111 209.345 193.779 239.479 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA SER A 112 208.688 190.906 237.063 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA SER A 113 207.653 187.269 237.525 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA SER A 114 207.099 184.315 239.866 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA SER A 115 203.392 184.002 240.689 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA SER A 116 201.258 186.228 242.925 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA SER A 117 197.450 186.090 242.877 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA SER A 118 193.766 186.402 243.796 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA SER A 119 192.784 189.493 245.797 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA SER A 120 189.988 191.780 244.587 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA MET A 121 186.738 192.189 242.641 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA ASN A 122 187.479 194.181 239.479 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA ASN A 123 184.746 195.852 237.416 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA ASN A 124 183.110 198.718 235.512 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ILE A 125 184.394 199.501 232.011 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA ILE A 126 186.050 198.102 228.878 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA SER A 127 189.139 197.445 226.747 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA ASN A 128 192.234 195.711 228.136 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA ARG A 129 195.107 194.181 230.116 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA GLN A 130 197.854 191.568 229.736 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA MET A 131 201.473 191.694 230.920 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA THR A 132 202.553 188.791 233.139 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA GLY A 133 200.021 186.789 235.163 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA LEU A 134 198.492 183.573 236.519 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA LYS A 135 197.221 179.996 236.838 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ARG A 136 194.314 177.843 235.641 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA GLN A 137 191.542 178.673 233.162 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA LYS A 138 189.882 176.599 230.431 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA PRO A 139 190.490 173.547 228.233 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA THR A 140 187.024 172.124 227.545 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA ALA A 141 186.447 171.478 223.834 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA GLU A 142 187.088 173.592 220.730 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA CYS A 143 188.149 173.882 217.082 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA PRO A 144 189.571 174.210 213.563 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA ARG A 145 189.139 177.880 212.634 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA ASN A 146 185.637 179.294 213.136 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA VAL A 147 181.966 180.295 212.947 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA ARG A 148 179.099 182.349 211.505 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA GLY A 149 176.647 185.036 210.373 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA GLY A 150 177.471 188.662 211.202 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA ALA A 151 175.115 190.786 209.091 1.00 0.00 C
|
| 154 |
+
TER 152 ALA A 151
|
| 155 |
+
END
|
Bacteria/O82954/O82954.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:a120052f724e4a22aab6db7bb976067657ebdbe2ff97d927a34a773f7dadebec
|
| 3 |
+
size 6680276
|
Bacteria/O82954/top.pdb
ADDED
|
@@ -0,0 +1,53 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 228.121 252.025 246.386 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ILE A 2 229.316 255.168 248.177 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 230.285 257.750 250.806 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 228.453 260.902 251.913 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 229.454 264.573 252.104 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 231.871 265.668 254.838 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA THR A 7 233.996 267.153 257.630 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLY A 8 236.768 266.702 260.204 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 240.315 265.421 260.747 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 243.573 265.031 262.683 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASN A 11 245.506 262.379 260.745 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 248.247 262.382 258.100 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 247.521 259.653 255.542 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLN A 14 244.097 258.598 254.247 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 242.646 258.602 250.724 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLN A 16 241.623 262.212 250.065 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LYS A 17 240.228 265.610 249.053 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 240.132 267.575 252.316 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ILE A 19 242.613 270.199 253.532 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 246.353 269.665 254.028 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 249.986 270.300 253.071 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ILE A 22 250.515 268.955 249.546 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA THR A 23 252.662 266.745 247.305 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ALA A 24 254.134 263.431 248.475 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PRO A 25 255.577 260.235 249.965 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PHE A 26 258.860 258.303 250.030 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA SER A 27 261.638 259.692 247.824 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 264.693 258.850 245.709 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA PRO A 29 263.766 256.792 242.640 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA PRO A 30 264.580 253.752 240.492 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ALA A 31 267.041 250.844 240.480 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA PRO A 32 267.724 247.288 239.293 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 265.704 244.578 237.536 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PRO A 34 262.374 243.038 236.509 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA PRO A 35 259.768 240.259 236.446 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA PRO A 36 256.848 238.845 238.444 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 256.632 237.061 241.804 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ARG A 38 255.691 235.085 244.923 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLN A 39 256.338 232.336 247.480 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ARG A 40 253.594 230.628 249.497 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ARG A 41 254.813 229.625 252.965 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA PRO A 42 253.065 227.495 255.596 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA THR A 43 255.606 224.893 256.730 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA PRO A 44 257.904 223.284 254.152 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 258.365 219.507 254.332 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 257.159 217.420 251.381 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA CYS A 47 257.049 213.700 250.565 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA HIS A 48 254.894 210.932 252.051 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA PRO A 49 251.904 208.858 250.921 1.00 0.00 C
|
| 52 |
+
TER 50 PRO A 49
|
| 53 |
+
END
|
Bacteria/O83517/O83517.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:378ae955527fff1e1d45522cabc47daf88a49f83892380341e888adee1ef24fe
|
| 3 |
+
size 6320276
|
Bacteria/O83517/top.pdb
ADDED
|
@@ -0,0 +1,50 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 269.420 214.474 262.238 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLU A 2 265.836 214.613 260.953 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA VAL A 3 264.747 217.969 259.514 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA THR A 4 266.108 219.933 256.547 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 267.660 222.349 254.042 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LEU A 6 271.187 221.758 252.728 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLU A 7 274.076 223.363 250.833 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA THR A 8 272.768 226.811 249.875 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLY A 9 271.513 230.402 249.650 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 271.377 231.858 246.132 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 268.218 230.883 244.240 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 265.121 228.775 244.939 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 262.311 230.057 242.709 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA HIS A 14 261.890 233.745 241.853 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLN A 15 261.712 235.629 245.160 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 258.176 237.042 245.287 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 255.772 236.718 248.225 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 254.993 236.009 251.887 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA THR A 19 252.053 238.286 252.717 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 249.739 241.154 251.751 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ALA A 21 247.196 243.991 251.827 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLN A 22 244.149 244.680 254.008 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA PRO A 23 241.693 247.449 253.104 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA HIS A 24 242.951 251.018 252.659 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 244.875 251.165 249.374 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 243.841 252.692 246.040 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASP A 27 240.258 253.928 245.657 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 238.750 254.129 242.164 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LYS A 29 235.015 253.932 241.438 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA MET A 30 233.578 257.138 239.964 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA THR A 31 232.646 260.799 240.458 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 229.562 263.026 240.236 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA SER A 33 229.861 266.407 241.967 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA THR A 34 230.463 270.167 242.108 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ALA A 35 232.957 271.150 244.815 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 234.173 273.366 247.665 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 237.357 275.320 246.916 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA TYR A 38 239.485 278.243 248.118 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA LEU A 39 243.273 278.435 248.485 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 244.987 277.991 251.858 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLN A 41 245.831 280.399 254.688 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ASP A 42 245.619 281.446 258.345 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA HIS A 43 242.851 283.989 258.971 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLN A 44 241.207 283.934 262.407 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 237.823 285.648 262.056 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA VAL A 46 234.923 287.728 263.391 1.00 0.00 C
|
| 49 |
+
TER 47 VAL A 46
|
| 50 |
+
END
|
Bacteria/O83777/O83777.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9a7fc3fae4b2efdcbdb8f945f0aac036a48f56e8216916e4a7cf01a86611d063
|
| 3 |
+
size 6800276
|
Bacteria/O83777/top.pdb
ADDED
|
@@ -0,0 +1,54 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 250.804 228.070 273.291 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LYS A 2 253.368 230.872 272.978 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 257.046 229.982 273.418 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 258.496 228.154 270.406 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PHE A 5 256.033 226.050 268.400 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA TRP A 6 254.304 227.296 265.242 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 256.577 226.740 262.235 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLN A 8 258.555 224.918 259.536 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA VAL A 9 257.632 222.005 257.260 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA LEU A 10 256.244 218.483 257.692 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 256.658 215.350 255.564 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 257.743 216.122 251.994 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 258.334 213.452 249.341 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ALA A 14 259.198 213.897 245.657 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 259.315 217.286 243.922 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 260.390 220.412 245.817 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 261.080 223.061 243.167 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LYS A 18 261.842 226.537 241.807 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLU A 19 263.146 230.016 240.964 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA HIS A 20 260.562 232.553 242.150 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA PRO A 21 256.754 232.650 242.074 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA VAL A 22 253.273 233.197 240.626 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLN A 23 249.988 233.716 242.485 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA TYR A 24 248.661 236.428 244.809 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA MET A 25 246.274 239.174 245.941 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 245.244 242.395 244.185 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA HIS A 27 247.027 245.558 245.338 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA LYS A 28 249.441 247.544 247.517 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LYS A 29 247.924 250.696 249.027 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLU A 30 244.382 251.842 248.214 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLU A 31 242.585 254.994 247.052 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ASN A 32 241.572 258.662 247.247 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ALA A 33 244.276 261.336 247.013 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA THR A 34 243.817 265.106 246.703 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 243.111 267.125 243.550 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LEU A 36 240.640 270.011 243.824 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA MET A 37 240.060 272.446 240.952 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASN A 38 240.186 276.242 240.641 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA PRO A 39 242.215 278.883 242.491 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 242.899 282.191 240.729 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA LEU A 41 241.954 285.702 239.590 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA HIS A 42 240.159 288.946 238.714 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA THR A 43 239.541 292.259 240.493 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA SER A 44 241.092 292.185 243.972 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA HIS A 45 242.811 290.880 247.111 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 245.277 292.624 249.434 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ALA A 47 245.521 293.751 253.065 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ILE A 48 244.393 295.743 256.110 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA LEU A 49 245.784 298.570 258.252 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LYS A 50 245.810 297.887 262.001 1.00 0.00 C
|
| 53 |
+
TER 51 LYS A 50
|
| 54 |
+
END
|
Bacteria/O84790/O84790.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:58689ff6feb061014672a99af01e2f2eee9c94781c92ed27699a91568336f5c5
|
| 3 |
+
size 6200276
|
Bacteria/O84790/top.pdb
ADDED
|
@@ -0,0 +1,49 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 253.657 256.685 239.001 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LYS A 2 251.091 254.891 236.830 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 248.138 252.832 238.080 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA THR A 4 245.114 252.499 235.787 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA TYR A 5 242.426 254.643 234.146 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLN A 6 239.532 252.557 232.810 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA PRO A 7 237.305 249.537 233.473 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 237.594 247.408 236.619 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LYS A 9 238.781 245.107 239.414 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 241.235 243.570 241.890 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA LYS A 11 241.695 245.794 244.950 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 244.362 248.312 243.921 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 247.624 246.393 243.488 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ASN A 14 250.260 244.753 241.279 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 252.670 243.169 238.790 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA VAL A 16 256.142 242.186 240.012 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLY A 17 256.451 239.531 242.726 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PHE A 18 254.751 237.119 245.136 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ARG A 19 255.865 236.996 248.777 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 255.107 237.043 252.511 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 254.687 237.130 256.296 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA MET A 22 253.202 240.318 257.762 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ALA A 23 254.910 243.293 256.103 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA THR A 24 255.028 245.599 253.073 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA LYS A 25 254.354 244.164 249.609 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA SER A 26 252.482 246.701 247.469 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 253.069 250.108 249.070 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ARG A 28 252.229 253.662 250.157 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASN A 29 249.915 256.173 248.469 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LEU A 30 248.289 259.559 247.830 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LEU A 31 245.318 261.281 249.481 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ASN A 32 244.164 259.889 252.834 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 243.950 256.334 254.188 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 245.489 254.868 257.350 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 244.594 254.460 261.030 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 247.582 253.868 263.319 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA HIS A 37 250.532 253.400 265.685 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 253.690 251.542 266.728 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 255.871 251.389 263.607 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA HIS A 40 259.189 252.775 262.349 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 261.287 255.495 263.999 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA LEU A 42 259.672 256.901 267.150 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ILE A 43 256.145 258.228 266.588 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASP A 44 254.069 260.665 264.522 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA LEU A 45 250.480 261.173 265.693 1.00 0.00 C
|
| 48 |
+
TER 46 LEU A 45
|
| 49 |
+
END
|
Bacteria/O85587/O85587.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:b5b23d8df4267c657d10b13d2277c54d85740184f9d9b15e46fb9538cdbc6cff
|
| 3 |
+
size 4400276
|
Bacteria/O85587/top.pdb
ADDED
|
@@ -0,0 +1,34 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA LEU A 1 256.468 245.266 257.038 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 259.968 245.077 258.533 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LYS A 3 263.160 246.880 259.571 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PRO A 4 262.760 249.281 262.503 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA VAL A 5 260.483 251.826 264.192 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LEU A 6 260.315 255.593 264.736 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ASP A 7 256.844 256.323 266.127 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA THR A 8 253.908 253.899 266.268 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA THR A 9 250.392 255.239 266.868 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA THR A 10 248.120 255.963 263.897 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 245.761 252.976 263.718 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ASN A 12 246.165 251.562 260.204 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA PRO A 13 246.563 248.017 258.866 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA THR A 14 248.395 247.840 255.529 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ILE A 15 247.637 247.081 251.873 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ALA A 16 248.219 244.327 249.305 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLY A 17 246.361 241.007 249.514 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LYS A 18 246.011 239.590 245.995 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 245.471 238.648 242.343 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA THR A 20 246.641 240.027 238.989 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA VAL A 21 247.050 241.657 235.570 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA VAL A 22 247.638 243.193 232.133 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA SER A 23 245.318 246.211 231.975 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA SER A 24 243.815 249.517 233.129 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 246.770 251.836 233.767 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLU A 26 245.704 255.493 233.837 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASN A 27 244.605 258.788 235.402 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 245.868 262.263 236.320 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LEU A 29 246.196 263.755 239.811 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ALA A 30 247.396 260.867 241.986 1.00 0.00 C
|
| 33 |
+
TER 31 ALA A 30
|
| 34 |
+
END
|
Bacteria/O86060/O86060.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:a1d875a53da6f52a6168aa6498b7130b187b26fda0771c414b7468e224861e81
|
| 3 |
+
size 6560276
|
Bacteria/O86060/top.pdb
ADDED
|
@@ -0,0 +1,52 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA LYS A 1 256.883 259.415 268.801 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 258.341 259.826 272.296 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ASN A 3 258.706 256.345 273.802 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASP A 4 257.612 253.843 276.459 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 254.882 253.620 279.106 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LEU A 6 251.648 252.380 277.518 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA TYR A 7 250.383 249.643 275.188 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ALA A 8 246.737 248.539 275.224 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 246.916 244.740 275.442 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 249.249 241.744 275.127 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 248.357 240.033 271.842 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 246.285 238.656 268.957 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 245.500 241.168 266.203 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 245.215 244.680 264.753 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ARG A 15 242.076 246.210 263.229 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PRO A 16 241.768 249.832 262.087 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 243.627 253.095 261.449 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA VAL A 18 247.320 252.708 260.592 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ARG A 19 249.971 250.005 261.016 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ARG A 20 251.348 246.821 259.441 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA TYR A 21 250.197 246.036 255.895 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LEU A 22 252.555 246.310 252.915 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLU A 23 252.740 243.249 250.653 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ARG A 24 254.479 244.443 247.480 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 256.457 243.528 244.355 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA HIS A 26 256.041 243.602 240.568 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 253.740 245.506 238.204 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 252.462 243.364 235.324 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA VAL A 29 254.969 240.705 234.244 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 256.224 241.144 230.673 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 256.130 241.329 226.869 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA PRO A 32 253.116 240.521 224.682 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ALA A 33 249.942 240.994 226.735 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 247.861 242.212 229.685 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 246.805 245.867 229.889 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASP A 36 246.608 249.665 229.659 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 250.167 250.903 230.225 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ARG A 38 251.732 252.233 233.434 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ALA A 39 254.635 254.505 234.397 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA TYR A 40 253.614 258.105 235.117 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 254.698 261.661 235.948 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLN A 42 252.354 264.510 234.995 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ALA A 43 248.732 264.859 233.866 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 245.946 265.431 236.401 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ALA A 45 242.216 265.371 235.628 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 240.717 261.877 235.873 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ILE A 47 237.415 260.350 234.741 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 234.621 258.418 233.016 1.00 0.00 C
|
| 51 |
+
TER 49 ARG A 48
|
| 52 |
+
END
|
Bacteria/O86503/O86503.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:ab037b667b370348d881de9c06b1a86c5be6eef3a14fd6ec502226996d6c5a6a
|
| 3 |
+
size 5960276
|
Bacteria/O86503/top.pdb
ADDED
|
@@ -0,0 +1,47 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 247.355 251.858 244.880 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 248.136 248.178 244.275 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLU A 3 249.934 246.893 247.378 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA THR A 4 248.871 249.232 250.192 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA THR A 5 247.185 249.373 253.605 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA VAL A 6 243.712 250.167 254.957 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 243.176 248.047 258.077 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ARG A 8 243.370 246.822 261.679 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 243.040 245.499 265.237 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA VAL A 10 242.400 245.363 268.990 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 239.161 247.185 269.827 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA HIS A 12 236.501 246.449 267.200 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LEU A 13 237.103 248.566 264.091 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 234.188 250.018 262.112 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ARG A 15 233.153 251.633 258.820 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA THR A 16 236.359 253.062 257.340 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 236.080 254.844 253.984 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASP A 18 233.578 257.645 253.350 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 233.931 261.023 255.076 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ASP A 20 237.522 261.594 256.216 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 240.620 262.719 254.306 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LYS A 22 243.687 260.488 253.941 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ASN A 23 247.093 261.760 255.080 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ALA A 24 249.540 262.489 252.253 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 252.693 260.350 252.240 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 253.299 257.879 255.077 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 256.317 255.603 254.600 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA LEU A 28 259.995 256.187 253.798 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLN A 29 260.603 255.394 250.121 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 261.971 252.771 247.720 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 264.784 251.841 245.324 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LEU A 32 263.296 250.846 241.961 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASP A 33 265.197 248.739 239.418 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 263.414 246.237 237.166 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 259.703 247.102 237.133 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASP A 36 258.028 246.143 233.849 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ASN A 37 258.049 243.303 231.308 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 260.813 240.701 231.633 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 263.844 240.003 233.832 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ALA A 40 266.090 237.035 233.020 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA THR A 41 264.490 233.616 233.536 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 262.179 232.467 236.339 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA HIS A 43 259.542 232.879 239.057 1.00 0.00 C
|
| 46 |
+
TER 44 HIS A 43
|
| 47 |
+
END
|
Bacteria/O86672/O86672.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:1b2515b33333cb39854512dde354c42a6139a579c296224c9b041caf598e5230
|
| 3 |
+
size 14960276
|
Bacteria/O86672/top.pdb
ADDED
|
@@ -0,0 +1,122 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 238.665 211.954 244.835 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LYS A 2 241.988 210.500 243.668 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ILE A 3 242.529 207.005 242.251 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA VAL A 4 244.288 204.784 239.703 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 241.563 203.062 237.672 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ALA A 6 242.202 200.003 235.494 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ASP A 7 239.906 197.116 236.447 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA VAL A 8 241.681 193.966 237.647 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLY A 9 244.971 192.049 237.766 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 246.762 191.254 234.498 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ILE A 11 248.941 193.081 231.963 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLU A 12 251.462 195.926 231.706 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA VAL A 13 250.600 199.637 231.628 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA LYS A 14 249.324 203.117 232.507 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 247.782 205.657 234.893 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PRO A 16 245.890 208.898 235.547 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 242.793 210.989 236.291 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASP A 18 242.005 214.076 234.202 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA THR A 19 243.569 217.051 232.406 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 242.712 219.907 230.035 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLY A 21 243.395 223.091 228.057 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA VAL A 22 245.574 225.770 229.666 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA PHE A 23 249.309 226.500 229.844 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLU A 24 250.366 230.161 229.820 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PRO A 25 251.735 231.781 226.655 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLN A 26 251.894 230.479 223.078 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA MET A 27 254.869 228.565 221.662 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA VAL A 28 255.710 225.720 224.052 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LYS A 29 257.411 225.251 227.429 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LYS A 30 256.220 227.024 230.585 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 254.618 227.330 234.028 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 256.395 224.985 236.448 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLN A 33 254.697 224.978 239.859 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLN A 34 252.741 227.923 241.279 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 250.737 230.823 242.725 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 250.937 233.987 244.838 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA THR A 37 248.458 235.709 247.163 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 247.259 238.053 249.917 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA LEU A 39 244.365 239.909 251.559 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ASP A 40 242.907 243.180 252.860 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLU A 41 242.651 244.601 256.386 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 242.910 245.445 260.092 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA VAL A 43 244.828 247.737 262.456 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA LEU A 44 248.150 246.562 263.905 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 247.773 242.948 265.052 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA LEU A 46 248.032 240.563 262.092 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA SER A 47 250.747 237.922 262.501 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ALA A 48 253.821 236.252 264.010 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLN A 49 256.179 238.254 266.236 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLU A 50 259.707 238.950 267.495 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ARG A 51 263.146 240.271 266.526 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 266.604 239.259 267.763 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA PRO A 53 270.274 240.284 267.712 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ALA A 54 271.640 243.291 269.611 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ASP A 55 269.537 245.919 271.395 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 268.972 249.106 269.386 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLY A 57 265.699 248.874 267.449 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 266.566 249.982 263.908 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLU A 59 264.695 252.052 261.313 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA SER A 60 265.517 254.124 258.224 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA THR A 61 268.898 253.221 256.719 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA THR A 62 272.159 252.233 258.424 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA HIS A 63 273.792 253.605 261.581 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLY A 64 273.360 257.389 261.486 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 276.466 258.768 263.208 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA PRO A 66 277.101 260.495 266.544 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLU A 67 274.147 261.577 268.695 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ALA A 68 271.211 263.530 267.252 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA GLY A 69 267.915 261.686 266.752 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLN A 70 264.997 260.385 268.828 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ARG A 71 261.651 261.812 269.962 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 258.544 263.579 268.644 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ALA A 73 256.633 264.522 265.486 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA SER A 74 252.940 265.267 264.915 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA VAL A 75 249.606 265.801 266.680 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ARG A 76 248.846 269.494 266.129 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ALA A 77 248.488 273.119 267.246 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA LEU A 78 246.204 275.358 265.176 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ALA A 79 242.623 274.934 263.946 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLY A 80 241.460 272.324 261.426 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA PRO A 81 240.372 271.946 257.795 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ALA A 82 243.026 270.851 255.291 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ASP A 83 242.864 272.323 251.780 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA GLY A 84 244.991 270.663 249.090 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA GLY A 85 245.228 272.180 245.603 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA GLN A 86 242.941 272.932 242.650 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ALA A 87 240.500 274.880 240.466 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA TRP A 88 237.998 274.184 237.679 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA LYS A 89 237.646 276.188 234.458 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ASP A 90 236.212 278.515 231.804 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA VAL A 91 233.866 281.390 232.668 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA PRO A 92 232.011 282.175 235.902 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA GLY A 93 229.970 284.918 237.583 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLN A 94 231.406 287.572 239.909 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA CYS A 95 233.910 289.872 241.628 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ARG A 96 235.777 292.783 240.029 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA GLN A 97 237.294 296.190 240.810 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA GLY A 98 237.220 297.056 244.520 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLU A 99 236.032 295.761 247.900 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA GLY A 100 233.570 294.461 250.501 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLN A 101 231.335 291.651 249.225 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLN A 102 232.923 288.227 249.743 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA GLU A 103 235.647 285.644 250.393 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA ARG A 104 234.773 281.936 250.368 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ASP A 105 236.749 279.088 251.951 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA GLN A 106 237.387 278.760 255.693 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA LYS A 107 240.364 279.579 257.925 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA GLU A 108 244.084 279.106 257.251 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA GLU A 109 247.232 281.129 257.967 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ASP A 110 250.984 280.813 257.386 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA HIS A 111 251.694 277.078 257.630 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA GLY A 112 249.568 274.235 259.012 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA LEU A 113 251.980 271.941 260.866 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA GLN A 114 255.205 272.154 258.849 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLN A 115 258.820 273.318 259.148 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA LEU A 116 260.395 276.763 258.740 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA THR A 117 260.615 279.710 261.145 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLN A 118 263.694 279.284 263.348 1.00 0.00 C
|
| 121 |
+
TER 119 GLN A 118
|
| 122 |
+
END
|
Bacteria/O86729/O86729.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:6bd00344f01b7a6ff796cecfc220e810d327ceaf525b16cc14e3e82a80387f0e
|
| 3 |
+
size 7280276
|