Datasets:
Add 300 K MPIPI-Recharged trajectories (Viruses), files 2401-3000 of 3764
Browse filesThis view is limited to 50 files because it contains too many changes. See raw diff
- .gitattributes +300 -0
- Viruses/P19127/P19127.dcd +3 -0
- Viruses/P19127/top.pdb +146 -0
- Viruses/P20833/P20833.dcd +3 -0
- Viruses/P20833/top.pdb +50 -0
- Viruses/P24649/P24649.dcd +3 -0
- Viruses/P24649/top.pdb +69 -0
- Viruses/P41726/P41726.dcd +3 -0
- Viruses/P41726/top.pdb +62 -0
- Viruses/P57017/P57017.dcd +3 -0
- Viruses/P57017/top.pdb +63 -0
- Viruses/P68828/P68828.dcd +3 -0
- Viruses/P68828/top.pdb +106 -0
- Viruses/P69592/P69592.dcd +3 -0
- Viruses/P69592/top.pdb +42 -0
- Viruses/P87543/P87543.dcd +3 -0
- Viruses/P87543/top.pdb +182 -0
- Viruses/P87914/P87914.dcd +3 -0
- Viruses/P87914/top.pdb +94 -0
- Viruses/P89479/P89479.dcd +3 -0
- Viruses/P89479/top.pdb +155 -0
- Viruses/P89827/P89827.dcd +3 -0
- Viruses/P89827/top.pdb +63 -0
- Viruses/P89833/P89833.dcd +3 -0
- Viruses/P89833/top.pdb +63 -0
- Viruses/P89841/P89841.dcd +3 -0
- Viruses/P89841/top.pdb +73 -0
- Viruses/P89878/P89878.dcd +3 -0
- Viruses/P89878/top.pdb +34 -0
- Viruses/Q00DY4/Q00DY4.dcd +3 -0
- Viruses/Q00DY4/top.pdb +61 -0
- Viruses/Q03873/Q03873.dcd +3 -0
- Viruses/Q03873/top.pdb +75 -0
- Viruses/Q04247/Q04247.dcd +3 -0
- Viruses/Q04247/top.pdb +34 -0
- Viruses/Q04259/Q04259.dcd +3 -0
- Viruses/Q04259/top.pdb +43 -0
- Viruses/Q04397/Q04397.dcd +3 -0
- Viruses/Q04397/top.pdb +387 -0
- Viruses/Q04405/Q04405.dcd +3 -0
- Viruses/Q04405/top.pdb +53 -0
- Viruses/Q04420/Q04420.dcd +3 -0
- Viruses/Q04420/top.pdb +48 -0
- Viruses/Q05293/Q05293.dcd +3 -0
- Viruses/Q05293/top.pdb +49 -0
- Viruses/Q06E77/Q06E77.dcd +3 -0
- Viruses/Q06E77/top.pdb +43 -0
- Viruses/Q06IZ2/Q06IZ2.dcd +3 -0
- Viruses/Q06IZ2/top.pdb +36 -0
- Viruses/Q08IT9/Q08IT9.dcd +3 -0
.gitattributes
CHANGED
|
@@ -9658,3 +9658,303 @@ Viruses/P12507/P12507.dcd filter=lfs diff=lfs merge=lfs -text
|
|
| 9658 |
Viruses/P12508/P12508.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9659 |
Viruses/P12512/P12512.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9660 |
Viruses/P17356/P17356.dcd filter=lfs diff=lfs merge=lfs -text
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 9658 |
Viruses/P12508/P12508.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9659 |
Viruses/P12512/P12512.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9660 |
Viruses/P17356/P17356.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9661 |
+
Viruses/P19127/P19127.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9662 |
+
Viruses/P20833/P20833.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9663 |
+
Viruses/P24649/P24649.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9664 |
+
Viruses/P41726/P41726.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9665 |
+
Viruses/P57017/P57017.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9666 |
+
Viruses/P68828/P68828.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9667 |
+
Viruses/P69592/P69592.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9668 |
+
Viruses/P87543/P87543.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9669 |
+
Viruses/P87914/P87914.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9670 |
+
Viruses/P89479/P89479.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9671 |
+
Viruses/P89827/P89827.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9672 |
+
Viruses/P89833/P89833.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9673 |
+
Viruses/P89841/P89841.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9674 |
+
Viruses/P89878/P89878.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9675 |
+
Viruses/Q00DY4/Q00DY4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9676 |
+
Viruses/Q03873/Q03873.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9677 |
+
Viruses/Q04247/Q04247.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9678 |
+
Viruses/Q04259/Q04259.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9679 |
+
Viruses/Q04397/Q04397.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9680 |
+
Viruses/Q04405/Q04405.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9681 |
+
Viruses/Q04420/Q04420.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9682 |
+
Viruses/Q05293/Q05293.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9683 |
+
Viruses/Q06E77/Q06E77.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9684 |
+
Viruses/Q06IZ2/Q06IZ2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9685 |
+
Viruses/Q08IT9/Q08IT9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9686 |
+
Viruses/Q08IU0/Q08IU0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9687 |
+
Viruses/Q08IU3/Q08IU3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9688 |
+
Viruses/Q08IW3/Q08IW3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9689 |
+
Viruses/Q08IW4/Q08IW4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9690 |
+
Viruses/Q08IW8/Q08IW8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9691 |
+
Viruses/Q08IX5/Q08IX5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9692 |
+
Viruses/Q08J01/Q08J01.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9693 |
+
Viruses/Q08J02/Q08J02.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9694 |
+
Viruses/Q0GGW6/Q0GGW6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9695 |
+
Viruses/Q0GYC4/Q0GYC4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9696 |
+
Viruses/Q0IL14/Q0IL14.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9697 |
+
Viruses/Q0IL90/Q0IL90.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9698 |
+
Viruses/Q0NQ56/Q0NQ56.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9699 |
+
Viruses/Q0PEK1/Q0PEK1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9700 |
+
Viruses/Q0PF77/Q0PF77.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9701 |
+
Viruses/Q0PF82/Q0PF82.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9702 |
+
Viruses/Q0PF92/Q0PF92.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9703 |
+
Viruses/Q0PFA4/Q0PFA4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9704 |
+
Viruses/Q0PFA9/Q0PFA9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9705 |
+
Viruses/Q0QZD2/Q0QZD2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9706 |
+
Viruses/Q0QZH2/Q0QZH2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9707 |
+
Viruses/Q0WY62/Q0WY62.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9708 |
+
Viruses/Q102Z0/Q102Z0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9709 |
+
Viruses/Q102Z1/Q102Z1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9710 |
+
Viruses/Q102Z2/Q102Z2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9711 |
+
Viruses/Q102Z3/Q102Z3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9712 |
+
Viruses/Q102Z5/Q102Z5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9713 |
+
Viruses/Q102Z6/Q102Z6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9714 |
+
Viruses/Q102Z7/Q102Z7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9715 |
+
Viruses/Q102Z8/Q102Z8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9716 |
+
Viruses/Q102Z9/Q102Z9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9717 |
+
Viruses/Q103A0/Q103A0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9718 |
+
Viruses/Q103A1/Q103A1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9719 |
+
Viruses/Q103A2/Q103A2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9720 |
+
Viruses/Q103A3/Q103A3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9721 |
+
Viruses/Q103A4/Q103A4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9722 |
+
Viruses/Q103A5/Q103A5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9723 |
+
Viruses/Q103A6/Q103A6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9724 |
+
Viruses/Q103A7/Q103A7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9725 |
+
Viruses/Q103A8/Q103A8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9726 |
+
Viruses/Q103A9/Q103A9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9727 |
+
Viruses/Q107X9/Q107X9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9728 |
+
Viruses/Q14UX9/Q14UX9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9729 |
+
Viruses/Q14UY3/Q14UY3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9730 |
+
Viruses/Q152W2/Q152W2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9731 |
+
Viruses/Q159G2/Q159G2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9732 |
+
Viruses/Q159G5/Q159G5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9733 |
+
Viruses/Q159M3/Q159M3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9734 |
+
Viruses/Q19B12/Q19B12.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9735 |
+
Viruses/Q19B37/Q19B37.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9736 |
+
Viruses/Q19CE6/Q19CE6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9737 |
+
Viruses/Q19CW0/Q19CW0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9738 |
+
Viruses/Q19D16/Q19D16.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9739 |
+
Viruses/Q19NX3/Q19NX3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9740 |
+
Viruses/Q19UQ1/Q19UQ1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9741 |
+
Viruses/Q19XC2/Q19XC2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9742 |
+
Viruses/Q19XF8/Q19XF8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9743 |
+
Viruses/Q19XJ8/Q19XJ8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9744 |
+
Viruses/Q19XN7/Q19XN7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9745 |
+
Viruses/Q19XV8/Q19XV8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9746 |
+
Viruses/Q19XW1/Q19XW1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9747 |
+
Viruses/Q19YI2/Q19YI2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9748 |
+
Viruses/Q19YS5/Q19YS5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9749 |
+
Viruses/Q19YU1/Q19YU1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9750 |
+
Viruses/Q19Z22/Q19Z22.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9751 |
+
Viruses/Q19ZG3/Q19ZG3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9752 |
+
Viruses/Q1A0D0/Q1A0D0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9753 |
+
Viruses/Q1A4M9/Q1A4M9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9754 |
+
Viruses/Q1A4P9/Q1A4P9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9755 |
+
Viruses/Q1EGY8/Q1EGY8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9756 |
+
Viruses/Q1EGZ1/Q1EGZ1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9757 |
+
Viruses/Q1EGZ2/Q1EGZ2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9758 |
+
Viruses/Q1EH05/Q1EH05.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9759 |
+
Viruses/Q1EH28/Q1EH28.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9760 |
+
Viruses/Q1EH30/Q1EH30.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9761 |
+
Viruses/Q1EH36/Q1EH36.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9762 |
+
Viruses/Q1EH45/Q1EH45.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9763 |
+
Viruses/Q1EH47/Q1EH47.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9764 |
+
Viruses/Q1EH77/Q1EH77.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9765 |
+
Viruses/Q1KWA0/Q1KWA0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9766 |
+
Viruses/Q1MWN9/Q1MWN9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9767 |
+
Viruses/Q1WIU5/Q1WIU5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9768 |
+
Viruses/Q1WIU7/Q1WIU7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9769 |
+
Viruses/Q1XDV1/Q1XDV1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9770 |
+
Viruses/Q1ZYP5/Q1ZYP5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9771 |
+
Viruses/Q20BU0/Q20BU0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9772 |
+
Viruses/Q20BW6/Q20BW6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9773 |
+
Viruses/Q20HY6/Q20HY6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9774 |
+
Viruses/Q27Q61/Q27Q61.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9775 |
+
Viruses/Q27Q66/Q27Q66.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9776 |
+
Viruses/Q27Q71/Q27Q71.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9777 |
+
Viruses/Q27Q76/Q27Q76.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9778 |
+
Viruses/Q27Q84/Q27Q84.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9779 |
+
Viruses/Q287B2/Q287B2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9780 |
+
Viruses/Q287K0/Q287K0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9781 |
+
Viruses/Q2EQ07/Q2EQ07.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9782 |
+
Viruses/Q2EQJ4/Q2EQJ4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9783 |
+
Viruses/Q2EX97/Q2EX97.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9784 |
+
Viruses/Q2EXS5/Q2EXS5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9785 |
+
Viruses/Q2I7C2/Q2I7C2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9786 |
+
Viruses/Q2I7C9/Q2I7C9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9787 |
+
Viruses/Q2I7D5/Q2I7D5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9788 |
+
Viruses/Q2I7D8/Q2I7D8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9789 |
+
Viruses/Q2I7D9/Q2I7D9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9790 |
+
Viruses/Q2KRX9/Q2KRX9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9791 |
+
Viruses/Q2LGY8/Q2LGY8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9792 |
+
Viruses/Q2NNY0/Q2NNY0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9793 |
+
Viruses/Q2PDL2/Q2PDL2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9794 |
+
Viruses/Q2PZ57/Q2PZ57.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9795 |
+
Viruses/Q2PZ59/Q2PZ59.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9796 |
+
Viruses/Q2PZ62/Q2PZ62.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9797 |
+
Viruses/Q2PZ64/Q2PZ64.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9798 |
+
Viruses/Q2PZ75/Q2PZ75.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9799 |
+
Viruses/Q2TVL9/Q2TVL9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9800 |
+
Viruses/Q2VAE1/Q2VAE1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9801 |
+
Viruses/Q2VF21/Q2VF21.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9802 |
+
Viruses/Q2WC16/Q2WC16.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9803 |
+
Viruses/Q2WC23/Q2WC23.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9804 |
+
Viruses/Q2XT86/Q2XT86.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9805 |
+
Viruses/Q2Z0R7/Q2Z0R7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9806 |
+
Viruses/Q30BN4/Q30BN4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9807 |
+
Viruses/Q33CR5/Q33CR5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9808 |
+
Viruses/Q33CS0/Q33CS0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9809 |
+
Viruses/Q33CS7/Q33CS7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9810 |
+
Viruses/Q33CU7/Q33CU7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9811 |
+
Viruses/Q33CV3/Q33CV3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9812 |
+
Viruses/Q33CV7/Q33CV7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9813 |
+
Viruses/Q33CW2/Q33CW2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9814 |
+
Viruses/Q33CX7/Q33CX7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9815 |
+
Viruses/Q33CX8/Q33CX8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9816 |
+
Viruses/Q33CZ4/Q33CZ4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9817 |
+
Viruses/Q33D00/Q33D00.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9818 |
+
Viruses/Q33D03/Q33D03.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9819 |
+
Viruses/Q33D07/Q33D07.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9820 |
+
Viruses/Q33D14/Q33D14.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9821 |
+
Viruses/Q33D20/Q33D20.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9822 |
+
Viruses/Q38506/Q38506.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9823 |
+
Viruses/Q38583/Q38583.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9824 |
+
Viruses/Q38HE4/Q38HE4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9825 |
+
Viruses/Q38I94/Q38I94.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9826 |
+
Viruses/Q38I97/Q38I97.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9827 |
+
Viruses/Q38IM8/Q38IM8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9828 |
+
Viruses/Q38IP7/Q38IP7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9829 |
+
Viruses/Q3C1Z8/Q3C1Z8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9830 |
+
Viruses/Q3C203/Q3C203.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9831 |
+
Viruses/Q3HNZ7/Q3HNZ7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9832 |
+
Viruses/Q3HP08/Q3HP08.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9833 |
+
Viruses/Q3HP10/Q3HP10.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9834 |
+
Viruses/Q3HP12/Q3HP12.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9835 |
+
Viruses/Q3HWX5/Q3HWX5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9836 |
+
Viruses/Q3HWX7/Q3HWX7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9837 |
+
Viruses/Q3HWY0/Q3HWY0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9838 |
+
Viruses/Q3HWY5/Q3HWY5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9839 |
+
Viruses/Q3HWY6/Q3HWY6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9840 |
+
Viruses/Q3KSP3/Q3KSP3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9841 |
+
Viruses/Q3LUB4/Q3LUB4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9842 |
+
Viruses/Q3LUB6/Q3LUB6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9843 |
+
Viruses/Q3LWP3/Q3LWP3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9844 |
+
Viruses/Q3S669/Q3S669.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9845 |
+
Viruses/Q3T244/Q3T244.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9846 |
+
Viruses/Q3T364/Q3T364.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9847 |
+
Viruses/Q3T393/Q3T393.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9848 |
+
Viruses/Q3T5T1/Q3T5T1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9849 |
+
Viruses/Q3T5T2/Q3T5T2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9850 |
+
Viruses/Q3T5T4/Q3T5T4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9851 |
+
Viruses/Q3T5T7/Q3T5T7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9852 |
+
Viruses/Q3T5U3/Q3T5U3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9853 |
+
Viruses/Q3T5U9/Q3T5U9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9854 |
+
Viruses/Q3T5V2/Q3T5V2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9855 |
+
Viruses/Q3T5V7/Q3T5V7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9856 |
+
Viruses/Q3V5E4/Q3V5E4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9857 |
+
Viruses/Q3YB07/Q3YB07.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9858 |
+
Viruses/Q3YJX6/Q3YJX6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9859 |
+
Viruses/Q3YJY1/Q3YJY1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9860 |
+
Viruses/Q3YPN7/Q3YPN7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9861 |
+
Viruses/Q45KG1/Q45KG1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9862 |
+
Viruses/Q461X8/Q461X8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9863 |
+
Viruses/Q4A2Y9/Q4A2Y9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9864 |
+
Viruses/Q4GZW3/Q4GZW3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9865 |
+
Viruses/Q4KPD1/Q4KPD1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9866 |
+
Viruses/Q4KPE0/Q4KPE0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9867 |
+
Viruses/Q4KPI4/Q4KPI4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9868 |
+
Viruses/Q4KPI5/Q4KPI5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9869 |
+
Viruses/Q4KS53/Q4KS53.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9870 |
+
Viruses/Q4KSY7/Q4KSY7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9871 |
+
Viruses/Q4PKB7/Q4PKB7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9872 |
+
Viruses/Q4PRW0/Q4PRW0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9873 |
+
Viruses/Q4QTS8/Q4QTS8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9874 |
+
Viruses/Q4QVU0/Q4QVU0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9875 |
+
Viruses/Q4QW70/Q4QW70.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9876 |
+
Viruses/Q4QW80/Q4QW80.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9877 |
+
Viruses/Q4U2B4/Q4U2B4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9878 |
+
Viruses/Q4W600/Q4W600.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9879 |
+
Viruses/Q4Z9E7/Q4Z9E7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9880 |
+
Viruses/Q4ZA14/Q4ZA14.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9881 |
+
Viruses/Q507B8/Q507B8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9882 |
+
Viruses/Q507D5/Q507D5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9883 |
+
Viruses/Q50G65/Q50G65.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9884 |
+
Viruses/Q50GB0/Q50GB0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9885 |
+
Viruses/Q50GB8/Q50GB8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9886 |
+
Viruses/Q50GC3/Q50GC3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9887 |
+
Viruses/Q50GD5/Q50GD5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9888 |
+
Viruses/Q52PR2/Q52PR2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9889 |
+
Viruses/Q52PS8/Q52PS8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9890 |
+
Viruses/Q52RQ4/Q52RQ4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9891 |
+
Viruses/Q52RR1/Q52RR1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9892 |
+
Viruses/Q52RR8/Q52RR8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9893 |
+
Viruses/Q52RS0/Q52RS0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9894 |
+
Viruses/Q52RS2/Q52RS2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9895 |
+
Viruses/Q52RT5/Q52RT5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9896 |
+
Viruses/Q52RT9/Q52RT9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9897 |
+
Viruses/Q52RW0/Q52RW0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9898 |
+
Viruses/Q52S07/Q52S07.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9899 |
+
Viruses/Q53AF0/Q53AF0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9900 |
+
Viruses/Q53AG3/Q53AG3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9901 |
+
Viruses/Q53CQ0/Q53CQ0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9902 |
+
Viruses/Q53Z31/Q53Z31.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9903 |
+
Viruses/Q56BB1/Q56BB1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9904 |
+
Viruses/Q56EV1/Q56EV1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9905 |
+
Viruses/Q56II6/Q56II6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9906 |
+
Viruses/Q58I31/Q58I31.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9907 |
+
Viruses/Q58LM3/Q58LM3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9908 |
+
Viruses/Q58MF1/Q58MF1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9909 |
+
Viruses/Q58N36/Q58N36.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9910 |
+
Viruses/Q58NB9/Q58NB9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9911 |
+
Viruses/Q58P45/Q58P45.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9912 |
+
Viruses/Q58P48/Q58P48.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9913 |
+
Viruses/Q596I4/Q596I4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9914 |
+
Viruses/Q596I6/Q596I6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9915 |
+
Viruses/Q5BND6/Q5BND6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9916 |
+
Viruses/Q5DKQ8/Q5DKQ8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9917 |
+
Viruses/Q5DRF7/Q5DRF7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9918 |
+
Viruses/Q5EM22/Q5EM22.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9919 |
+
Viruses/Q5EWN0/Q5EWN0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9920 |
+
Viruses/Q5EWN1/Q5EWN1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9921 |
+
Viruses/Q5FXX2/Q5FXX2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9922 |
+
Viruses/Q5G246/Q5G246.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9923 |
+
Viruses/Q5G5L6/Q5G5L6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9924 |
+
Viruses/Q5G5M1/Q5G5M1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9925 |
+
Viruses/Q5G5N5/Q5G5N5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9926 |
+
Viruses/Q5G5P3/Q5G5P3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9927 |
+
Viruses/Q5G5R6/Q5G5R6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9928 |
+
Viruses/Q5G5T2/Q5G5T2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9929 |
+
Viruses/Q5GQU4/Q5GQU4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9930 |
+
Viruses/Q5I4I5/Q5I4I5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9931 |
+
Viruses/Q5J596/Q5J596.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9932 |
+
Viruses/Q5J5A1/Q5J5A1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9933 |
+
Viruses/Q5J5A3/Q5J5A3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9934 |
+
Viruses/Q5J5A8/Q5J5A8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9935 |
+
Viruses/Q5L446/Q5L446.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9936 |
+
Viruses/Q5MIE7/Q5MIE7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9937 |
+
Viruses/Q5QF78/Q5QF78.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9938 |
+
Viruses/Q5UNW3/Q5UNW3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9939 |
+
Viruses/Q5UQA4/Q5UQA4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9940 |
+
Viruses/Q5UTC0/Q5UTC0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9941 |
+
Viruses/Q5UTC9/Q5UTC9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9942 |
+
Viruses/Q5UTE2/Q5UTE2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9943 |
+
Viruses/Q5UTE6/Q5UTE6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9944 |
+
Viruses/Q5Y0N1/Q5Y0N1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9945 |
+
Viruses/Q5YA80/Q5YA80.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9946 |
+
Viruses/Q5YF20/Q5YF20.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9947 |
+
Viruses/Q5YFF2/Q5YFF2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9948 |
+
Viruses/Q5ZQY2/Q5ZQY2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9949 |
+
Viruses/Q64921/Q64921.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9950 |
+
Viruses/Q64989/Q64989.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9951 |
+
Viruses/Q65048/Q65048.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9952 |
+
Viruses/Q65541/Q65541.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9953 |
+
Viruses/Q65548/Q65548.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9954 |
+
Viruses/Q66544/Q66544.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9955 |
+
Viruses/Q66546/Q66546.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9956 |
+
Viruses/Q66550/Q66550.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9957 |
+
Viruses/Q66741/Q66741.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9958 |
+
Viruses/Q67285/Q67285.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9959 |
+
Viruses/Q68556/Q68556.dcd filter=lfs diff=lfs merge=lfs -text
|
| 9960 |
+
Viruses/Q68628/Q68628.dcd filter=lfs diff=lfs merge=lfs -text
|
Viruses/P19127/P19127.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:29903a9bd4eb8f8794a2a06665fb4e04ce3daee08de040d2fda4e5cf9b802115
|
| 3 |
+
size 17840276
|
Viruses/P19127/top.pdb
ADDED
|
@@ -0,0 +1,146 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 279.865 185.293 230.226 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ASP A 2 283.537 185.029 231.209 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LEU A 3 286.675 185.553 233.304 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PRO A 4 289.585 184.987 235.698 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLU A 5 291.517 181.892 236.794 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ASP A 6 294.197 183.043 239.245 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 294.773 186.793 238.898 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ALA A 8 296.916 189.314 240.787 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 299.408 188.958 243.647 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PHE A 10 298.391 188.030 247.199 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA THR A 11 295.520 189.292 249.362 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ASN A 12 295.391 192.180 251.844 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 296.428 194.233 254.881 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA TYR A 14 296.007 195.762 258.346 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 296.912 197.547 261.588 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LEU A 16 293.701 198.374 263.465 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 290.898 198.168 260.893 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA THR A 18 287.582 199.532 259.605 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA THR A 19 284.257 201.145 258.676 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 283.339 202.244 255.145 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA MET A 21 280.325 201.259 253.034 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLU A 22 277.512 203.618 254.055 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA THR A 23 276.952 203.789 257.820 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA PRO A 24 278.758 204.508 261.097 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 279.162 202.177 264.084 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLU A 26 280.703 204.168 266.943 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA VAL A 27 281.286 207.933 267.027 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 282.863 210.063 264.291 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ARG A 29 281.236 213.498 264.554 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA SER A 30 278.448 215.367 266.357 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLY A 31 275.588 216.759 268.455 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 272.307 217.190 270.343 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA LEU A 33 270.205 220.174 271.435 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA TYR A 34 270.203 223.103 268.999 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLN A 35 271.562 223.858 265.520 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA SER A 36 269.927 224.709 262.186 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 270.430 226.531 258.878 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA SER A 38 272.657 228.171 256.257 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 271.742 231.421 254.491 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 274.616 232.677 252.329 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLN A 41 278.184 233.002 251.032 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA MET A 42 280.878 232.727 248.352 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ALA A 43 283.435 233.537 245.646 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA TYR A 44 283.878 235.682 242.528 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 287.256 236.062 240.807 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ARG A 46 289.547 235.566 237.804 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA PRO A 47 289.650 231.888 236.816 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA THR A 48 289.561 231.043 233.102 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA MET A 49 287.650 233.121 230.542 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA SER A 50 285.201 230.662 228.970 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ILE A 51 281.584 229.644 228.341 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ILE A 52 278.549 231.426 226.882 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA SER A 53 277.602 234.852 228.255 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ARG A 54 275.378 237.778 227.249 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA THR A 55 275.365 240.480 229.934 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 273.652 238.848 232.920 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA SER A 57 273.874 237.821 236.583 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA TRP A 58 274.476 240.958 238.659 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ARG A 59 272.125 243.584 237.212 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA THR A 60 269.679 246.490 237.503 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA SER A 61 267.877 247.103 240.804 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 265.271 245.804 243.261 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ARG A 63 261.980 247.377 242.160 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 259.548 250.301 241.939 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA LEU A 65 257.563 252.593 244.246 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA PRO A 66 255.307 255.504 245.223 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA PRO A 67 251.795 256.976 245.110 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA PRO A 68 249.385 256.284 242.242 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA GLN A 69 248.759 259.155 239.817 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA VAL A 70 247.238 257.770 236.610 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA PRO A 71 246.059 254.160 236.311 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 245.841 250.549 237.508 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA LEU A 73 243.496 248.199 239.377 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA MET A 74 241.351 245.727 237.428 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ASN A 75 237.691 246.067 236.423 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA SER A 76 235.820 248.607 234.288 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ILE A 77 234.626 251.954 232.913 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA LEU A 78 233.337 254.875 234.992 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA THR A 79 231.155 256.143 237.846 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA SER A 80 228.291 258.063 239.467 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ARG A 81 226.149 259.581 236.706 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA THR A 82 222.346 259.377 236.593 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLN A 83 218.809 260.792 236.626 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA GLN A 84 218.075 264.529 236.513 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA SER A 85 214.582 265.715 237.465 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA SER A 86 214.245 269.052 239.271 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA PRO A 87 211.185 270.609 240.923 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA LYS A 88 209.622 273.767 242.373 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA LEU A 89 208.732 274.294 246.040 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA THR A 90 207.136 275.270 249.359 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ASN A 91 206.339 274.387 252.979 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA SER A 92 208.836 276.172 255.236 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ALA A 93 208.932 279.846 256.239 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA SER A 94 210.050 283.354 257.220 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA PRO A 95 210.399 286.030 254.530 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ASN A 96 212.461 288.467 252.450 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA LEU A 97 215.710 288.847 250.497 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ARG A 98 219.133 290.385 251.155 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ARG A 99 221.435 293.300 252.004 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA LYS A 100 222.634 296.369 250.090 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA SER A 101 223.716 295.084 246.670 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA SER A 102 227.509 295.443 246.693 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA LEU A 103 229.705 297.146 244.086 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLY A 104 229.460 300.231 241.864 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ARG A 105 228.035 303.657 242.730 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA LEU A 106 228.343 304.069 246.505 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA SER A 107 224.776 303.693 247.790 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA MET A 108 221.371 303.368 249.469 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA ASP A 109 218.753 302.059 251.907 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ARG A 110 219.666 301.642 255.583 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA HIS A 111 222.817 303.050 257.197 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA GLY A 112 223.094 304.811 260.564 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA THR A 113 221.712 305.960 263.924 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA THR A 114 218.489 303.984 264.396 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA LEU A 115 217.481 300.780 266.193 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA GLN A 116 214.803 298.879 268.126 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA ARG A 117 214.596 295.086 268.416 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA THR A 118 214.529 293.729 271.976 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ASN A 119 214.946 290.163 273.252 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA SER A 120 213.461 286.730 272.528 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA GLY A 121 210.646 284.168 272.704 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA PHE A 122 209.365 280.966 271.086 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA SER A 123 212.446 278.929 270.149 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA THR A 124 211.233 275.765 268.407 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA LYS A 125 212.539 272.789 266.419 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA GLU A 126 215.065 270.243 267.707 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA THR A 127 216.790 267.461 265.758 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA GLU A 128 216.421 267.278 261.970 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA MET A 129 218.710 268.368 259.126 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA PRO A 130 221.668 268.179 256.732 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA ARG A 131 223.131 268.786 253.267 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA LEU A 132 226.756 269.009 252.116 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA LEU A 133 227.963 269.975 248.633 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA ASP A 134 227.061 273.564 247.726 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA ARG A 135 227.627 276.315 250.301 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA SER A 136 226.501 279.871 251.076 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA GLU A 137 229.382 281.440 253.013 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA SER A 138 228.197 283.458 256.019 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA LEU A 139 229.076 283.044 259.703 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA SER A 140 229.280 285.404 262.688 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA ARG A 141 232.111 287.747 263.692 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA TYR A 142 232.666 290.809 261.494 1.00 0.00 C
|
| 145 |
+
TER 143 TYR A 142
|
| 146 |
+
END
|
Viruses/P20833/P20833.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:1fcf6ada50fc623cab95a602afd9199bc0d271caad2ce4e70f743afedd15c83f
|
| 3 |
+
size 6320276
|
Viruses/P20833/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 1 224.629 260.589 251.724 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ARG A 2 221.434 261.058 249.702 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 221.370 264.294 247.692 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASN A 4 223.699 265.894 245.137 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PHE A 5 225.819 264.192 242.468 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLU A 6 229.413 265.355 242.963 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LYS A 7 231.451 263.916 240.083 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PHE A 8 234.351 264.647 237.723 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA THR A 9 238.059 264.377 236.888 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA LYS A 10 241.196 263.233 238.723 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 242.981 261.706 241.722 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ASP A 12 242.333 262.585 245.372 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 239.532 260.902 247.330 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA VAL A 14 239.874 257.114 247.105 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA VAL A 15 237.457 254.826 245.252 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ASN A 16 236.957 254.127 241.540 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLU A 17 236.370 250.668 240.056 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLN A 18 235.300 249.227 236.695 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 234.670 248.045 233.128 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLU A 20 235.758 247.945 229.478 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLN A 21 239.536 247.452 229.544 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA TRP A 22 240.947 247.528 233.082 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLN A 23 243.593 245.185 234.504 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLU A 24 244.185 243.850 238.023 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 245.131 246.416 240.676 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ARG A 26 247.544 245.984 243.592 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASP A 27 251.173 246.988 244.178 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ARG A 28 253.512 244.370 245.657 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA MET A 29 257.017 243.459 246.840 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LYS A 30 259.920 241.636 248.503 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LYS A 31 263.397 242.070 249.999 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 264.447 240.559 253.335 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA HIS A 33 265.593 237.126 254.527 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA LYS A 34 263.267 235.161 256.816 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLN A 35 263.708 234.943 260.594 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLN A 36 265.896 235.099 263.709 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 268.877 233.837 265.718 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 272.211 235.659 265.418 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASN A 39 272.546 238.613 267.800 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 274.312 241.964 267.394 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLN A 41 275.736 244.256 270.084 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA LYS A 42 279.160 245.910 270.324 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ARG A 43 280.354 248.754 272.561 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 280.167 250.088 276.125 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA TRP A 45 277.115 249.905 278.397 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ASN A 46 278.007 248.488 281.820 1.00 0.00 C
|
| 49 |
+
TER 47 ASN A 46
|
| 50 |
+
END
|
Viruses/P24649/P24649.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:30ad63e48ba43dd3a38276b4d11faca80ecb65fd6601424f1d7a5239d3c6f650
|
| 3 |
+
size 8600276
|
Viruses/P24649/top.pdb
ADDED
|
@@ -0,0 +1,69 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 202.293 243.891 238.273 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA VAL A 2 201.771 240.212 237.431 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA TYR A 3 204.538 238.371 239.294 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 207.876 237.124 237.947 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 210.519 237.308 240.686 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 212.077 239.500 243.384 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 215.559 240.851 242.628 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ARG A 8 216.032 242.666 239.312 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 219.636 243.902 239.354 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA SER A 10 222.357 241.242 239.525 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA THR A 11 221.456 238.169 241.590 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 220.734 237.535 245.277 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 223.999 236.413 246.888 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA THR A 14 226.677 238.970 245.989 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA TYR A 15 228.518 240.028 242.825 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 230.036 242.598 240.458 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LEU A 17 229.699 246.162 241.762 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA THR A 18 230.863 246.495 245.375 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ARG A 19 232.260 249.370 247.448 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ARG A 20 234.945 251.780 248.670 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 234.966 252.691 252.370 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ARG A 22 235.847 255.487 254.803 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA SER A 23 238.876 254.369 256.826 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA SER A 24 240.648 253.153 259.972 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 243.456 251.533 261.973 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 246.584 250.532 263.905 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ILE A 27 249.507 250.016 266.293 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA THR A 28 251.681 248.236 268.866 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ARG A 29 253.056 251.064 271.018 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 255.865 251.769 273.493 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 258.099 254.319 275.230 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 260.664 254.536 278.039 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA SER A 33 263.910 253.324 279.625 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 266.176 250.395 280.518 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 269.946 250.392 279.970 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA TYR A 36 270.746 252.514 276.909 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 273.595 252.759 274.390 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ARG A 38 273.087 254.954 271.318 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 270.584 254.324 268.517 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA PRO A 40 270.676 251.437 266.032 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 269.245 252.566 262.686 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ARG A 42 269.452 256.026 261.103 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA PRO A 43 271.808 257.552 258.527 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ARG A 44 273.977 257.099 255.428 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA THR A 45 273.888 254.964 252.274 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA TYR A 46 275.841 251.852 251.264 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ARG A 47 274.708 248.782 249.314 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 275.434 248.317 245.603 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 278.179 247.465 243.102 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 277.901 248.147 239.363 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA SER A 51 275.125 250.694 238.794 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 274.138 250.769 235.115 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA SER A 53 271.287 250.313 232.630 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA LEU A 54 268.660 247.605 232.096 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA THR A 55 266.009 246.660 234.664 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 263.054 247.743 236.811 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ARG A 57 263.243 251.305 238.149 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 263.036 254.904 236.918 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA SER A 59 264.615 255.419 233.488 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA TYR A 60 265.301 259.162 233.300 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ARG A 61 266.286 262.631 232.068 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA THR A 62 264.696 264.345 229.060 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ARG A 63 261.227 265.634 229.966 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA TYR A 64 259.973 268.884 231.510 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA TYR A 65 263.105 270.768 232.584 1.00 0.00 C
|
| 68 |
+
TER 66 TYR A 65
|
| 69 |
+
END
|
Viruses/P41726/P41726.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:53316d4e93052fbe6d34422847bd25c5efdc66f92ddd74ff277792d270b51469
|
| 3 |
+
size 7760276
|
Viruses/P41726/top.pdb
ADDED
|
@@ -0,0 +1,62 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 248.407 253.253 247.650 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA VAL A 2 246.761 255.443 250.298 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 245.807 258.730 248.625 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 248.110 261.502 247.390 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 250.390 263.524 249.676 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 251.422 265.099 252.989 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA SER A 7 249.289 268.146 253.813 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ARG A 8 245.759 267.370 252.609 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 242.458 268.882 253.764 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 240.409 271.678 252.183 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA TYR A 11 239.014 274.288 249.783 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 239.763 277.225 247.475 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 239.915 275.965 243.882 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 242.776 273.535 243.227 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 244.162 270.689 245.347 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 243.120 267.096 244.629 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 244.435 265.328 241.520 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ARG A 18 246.896 264.949 238.637 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 250.361 264.658 240.194 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ARG A 20 252.907 261.824 240.241 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 253.430 259.456 243.180 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 256.758 258.850 244.934 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA SER A 23 259.177 258.527 247.859 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ASP A 24 262.354 256.601 248.704 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 261.288 254.022 251.299 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA SER A 26 262.860 250.651 252.123 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 260.906 248.126 254.202 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 257.411 246.684 254.670 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ARG A 29 253.737 247.597 254.242 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA TYR A 30 250.814 245.544 252.915 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 247.528 246.641 254.501 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA SER A 32 244.451 244.578 255.392 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 243.583 241.777 252.960 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 244.968 242.422 249.470 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 243.089 240.620 246.688 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA SER A 36 243.387 241.927 243.121 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 244.199 245.646 243.274 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA SER A 38 245.966 248.709 241.857 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 249.139 248.084 239.841 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 252.299 246.167 240.765 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ARG A 41 253.762 242.879 242.015 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 251.151 241.258 244.267 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ARG A 43 249.991 237.685 244.898 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ALA A 44 249.818 234.653 247.199 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ARG A 45 249.935 230.989 248.236 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 247.524 230.771 251.178 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ARG A 47 245.815 231.171 254.560 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA SER A 48 245.250 234.882 255.211 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA PRO A 49 245.068 237.060 258.332 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA TYR A 50 245.984 236.135 261.912 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA HIS A 51 248.244 233.079 262.184 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA HIS A 52 251.652 233.630 263.796 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA HIS A 53 254.428 231.117 263.092 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ILE A 54 256.480 229.415 260.370 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ASN A 55 260.099 228.280 260.732 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLN A 56 262.882 229.112 258.267 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA TYR A 57 264.714 228.557 254.972 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ILE A 58 267.701 227.518 252.848 1.00 0.00 C
|
| 61 |
+
TER 59 ILE A 58
|
| 62 |
+
END
|
Viruses/P57017/P57017.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:4a2164aa9cc3ad91e999fb8837c04fbf6f9c485c0d57d88dfe56bebeb5f372c7
|
| 3 |
+
size 7880276
|
Viruses/P57017/top.pdb
ADDED
|
@@ -0,0 +1,63 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 269.666 262.030 254.229 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 270.681 258.379 253.834 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LYS A 3 273.844 256.394 254.588 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LYS A 4 276.066 254.457 252.173 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 275.207 253.628 248.555 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 273.980 250.353 247.043 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLU A 7 270.171 250.256 247.050 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ASN A 8 268.327 247.445 248.842 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA THR A 9 268.180 244.640 251.417 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 266.063 241.514 250.905 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA LYS A 11 262.344 240.905 251.469 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ASN A 12 260.747 238.039 253.405 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 263.054 237.301 256.346 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLY A 14 266.106 236.611 258.520 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ILE A 15 269.707 235.404 258.210 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA TYR A 16 271.152 231.891 257.920 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLN A 17 274.392 231.342 259.846 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLU A 18 277.722 233.086 260.472 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA VAL A 19 276.920 236.795 260.134 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 278.521 238.482 257.116 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA PRO A 21 276.380 241.279 255.664 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ARG A 22 273.140 242.055 253.816 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 271.677 238.654 252.914 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 273.018 237.695 249.479 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA LYS A 25 270.771 236.470 246.657 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LYS A 26 271.140 238.874 243.724 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASP A 27 267.969 239.163 241.632 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASN A 28 265.237 241.740 242.273 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA PHE A 29 261.463 241.944 241.789 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ALA A 30 259.483 245.193 241.986 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA THR A 31 257.022 248.084 242.307 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA VAL A 32 254.125 249.724 244.161 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA LYS A 33 251.171 250.042 246.546 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ASP A 34 248.541 250.298 249.291 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ASN A 35 246.254 248.499 251.750 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLU A 36 242.870 246.849 251.167 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 240.117 245.817 248.744 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA LEU A 38 238.327 242.544 249.520 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA PRO A 39 235.236 243.203 251.647 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA PRO A 40 231.932 245.039 251.167 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA THR A 41 232.176 248.749 250.338 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA THR A 42 230.010 251.871 250.612 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA LYS A 43 230.266 254.118 247.545 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA PRO A 44 230.403 257.806 246.599 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 229.498 259.689 249.785 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ASN A 46 226.465 261.965 249.424 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLY A 47 223.088 260.297 250.000 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA TRP A 48 223.433 256.514 249.706 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA VAL A 49 220.676 254.141 248.572 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LEU A 50 218.405 255.102 245.668 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ASP A 51 216.385 258.169 244.655 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA LYS A 52 214.890 261.666 244.895 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ARG A 53 216.839 264.715 246.087 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA THR A 54 215.174 267.634 247.883 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PRO A 55 214.486 271.238 248.910 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ASP A 56 216.144 274.545 247.998 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA SER A 57 217.378 278.144 247.796 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA LYS A 58 214.413 280.294 246.745 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LYS A 59 211.151 281.228 248.478 1.00 0.00 C
|
| 62 |
+
TER 60 LYS A 59
|
| 63 |
+
END
|
Viruses/P68828/P68828.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:0cd2561e3b887e64d0d1193f50369ffc23e843f2af61051de0416fc3a7b75c2c
|
| 3 |
+
size 13040276
|
Viruses/P68828/top.pdb
ADDED
|
@@ -0,0 +1,106 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 246.822 231.385 263.088 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LEU A 2 248.518 233.858 260.737 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ASN A 3 250.354 237.178 261.090 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASP A 4 251.463 240.452 262.692 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ALA A 5 251.550 239.855 266.454 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LYS A 6 251.877 240.067 270.244 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 250.610 243.519 271.243 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA THR A 8 250.149 245.688 268.145 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 248.489 247.619 265.311 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 248.099 245.777 261.999 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASN A 11 249.552 247.874 259.170 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 250.327 251.128 257.345 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 246.971 252.673 256.415 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA THR A 14 243.179 252.741 256.777 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 241.147 252.305 259.970 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 242.452 254.880 262.456 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 240.308 258.013 262.770 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA HIS A 18 242.440 260.632 264.534 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 244.918 263.361 265.496 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ASN A 20 246.274 262.988 269.037 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLY A 21 249.621 263.925 270.597 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 252.093 265.063 267.931 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 255.520 265.430 269.554 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA SER A 24 258.840 263.565 269.428 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA SER A 25 262.279 261.947 269.160 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA HIS A 26 265.783 261.768 270.646 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 268.983 263.590 269.668 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASN A 28 270.311 267.024 268.690 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLU A 29 271.901 269.229 271.359 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LEU A 30 271.484 270.700 274.848 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA PRO A 31 271.041 268.122 277.618 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 272.544 266.346 280.635 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 272.231 266.712 284.415 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA THR A 34 268.789 267.590 285.794 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 265.878 265.619 284.325 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLN A 36 264.670 262.545 282.426 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 262.554 259.670 283.758 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 260.432 257.928 286.399 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLN A 39 257.177 255.950 286.472 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLY A 40 257.932 252.273 285.819 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA PRO A 41 257.636 250.957 282.256 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ARG A 42 259.531 249.769 279.172 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLN A 43 257.844 251.547 276.255 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA PRO A 44 255.573 254.254 274.831 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ALA A 45 253.473 254.405 271.655 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ARG A 46 254.559 252.005 268.903 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LEU A 47 254.995 252.537 265.155 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA PRO A 48 257.638 255.089 264.144 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA LYS A 49 259.639 258.299 263.693 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLN A 50 257.474 261.111 262.307 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 253.846 259.949 262.324 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA LYS A 52 252.506 259.777 258.762 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA THR A 53 253.041 263.157 257.086 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ASN A 54 252.405 266.797 256.158 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 249.034 268.570 256.090 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA LYS A 56 245.363 268.111 255.178 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA SER A 57 241.756 267.975 256.397 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ASP A 58 239.680 267.606 253.224 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 240.020 264.056 251.882 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ASN A 60 239.295 262.953 248.308 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ILE A 61 237.113 260.367 246.556 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA THR A 62 235.759 257.531 244.403 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 234.621 254.016 243.473 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLY A 64 232.960 251.018 245.137 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLU A 65 229.305 249.973 245.403 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA THR A 66 227.990 248.844 248.796 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLN A 67 230.454 246.305 250.208 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ARG A 68 233.304 244.143 251.518 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA GLY A 69 236.775 244.551 250.001 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLY A 70 239.878 243.254 248.211 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ILE A 71 241.585 244.975 245.272 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA PRO A 72 240.263 247.292 242.551 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ARG A 73 243.076 247.488 239.989 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLY A 74 246.336 249.143 238.917 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA LYS A 75 248.536 252.014 237.720 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLY A 76 250.232 252.025 234.308 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA PRO A 77 249.564 255.045 232.083 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ARG A 78 248.499 255.239 228.429 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLY A 79 247.321 251.873 227.087 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLY A 80 248.601 248.355 227.795 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA LYS A 81 247.632 244.741 227.074 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA THR A 82 250.237 241.974 227.351 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ASN A 83 249.941 238.964 225.034 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA THR A 84 249.974 240.195 221.429 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ARG A 85 249.096 238.382 218.195 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ARG A 86 247.077 235.209 218.804 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA THR A 87 244.352 233.536 216.733 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA PRO A 88 242.459 231.671 214.002 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA PRO A 89 242.850 227.884 213.859 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA LYS A 90 241.702 226.556 210.478 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ALA A 91 242.323 228.738 207.417 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLY A 92 240.264 230.594 204.803 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ALA A 93 239.813 229.565 201.163 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLN A 94 241.824 226.591 199.889 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA PRO A 95 245.323 225.182 199.351 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLN A 96 246.556 222.346 197.126 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA PRO A 97 248.582 219.708 198.983 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA SER A 98 251.590 220.878 201.008 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ASN A 99 253.540 223.495 202.973 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ASN A 100 255.702 226.193 201.372 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ARG A 101 253.879 229.292 200.113 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA LYS A 102 252.240 228.944 196.691 1.00 0.00 C
|
| 105 |
+
TER 103 LYS A 102
|
| 106 |
+
END
|
Viruses/P69592/P69592.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:bac6761a30133307726ce8e4e4504ec34674ca826bd14ce40b80b871ffcbd01e
|
| 3 |
+
size 5360276
|
Viruses/P69592/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 1 266.590 212.822 266.426 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA SER A 2 263.577 214.109 264.481 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LYS A 3 262.476 217.754 264.367 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 260.451 219.796 261.868 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA LYS A 5 261.101 223.550 261.872 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LYS A 6 261.326 227.286 261.158 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 258.754 230.075 261.508 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 255.780 231.823 263.125 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLY A 9 253.804 234.424 261.162 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 252.131 237.738 260.305 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 249.870 238.778 257.420 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 248.240 242.209 257.123 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 246.673 245.587 257.929 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 243.005 245.842 258.925 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA PRO A 15 239.726 244.345 257.690 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLN A 16 237.265 246.652 255.918 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 234.945 248.009 253.218 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LEU A 18 234.828 251.363 251.414 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ARG A 19 236.858 251.454 248.191 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 239.989 253.619 248.341 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA THR A 21 242.497 255.152 245.917 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LYS A 22 246.143 254.977 247.008 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 248.040 257.820 245.324 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LYS A 24 246.895 261.452 245.231 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 243.387 261.606 243.750 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LYS A 26 241.634 264.982 243.555 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 243.095 267.553 241.153 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ALA A 28 244.104 271.029 242.343 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ARG A 29 247.502 272.006 240.925 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LEU A 30 250.158 273.396 243.277 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA TRP A 31 253.927 273.958 243.320 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA TYR A 32 255.872 270.760 242.611 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA VAL A 33 255.371 268.878 239.336 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 258.053 267.871 236.824 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 258.386 265.674 233.729 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLN A 36 255.719 264.057 231.540 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLN A 37 252.680 265.883 230.145 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA PHE A 38 249.151 265.711 231.571 1.00 0.00 C
|
| 41 |
+
TER 39 PHE A 38
|
| 42 |
+
END
|
Viruses/P87543/P87543.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:2de70b9409bdf02c6196c9e627daf463b76e956ae237ebad6a7404a17d41fa29
|
| 3 |
+
size 22160276
|
Viruses/P87543/top.pdb
ADDED
|
@@ -0,0 +1,182 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 HIS A 1 242.453 297.668 161.952 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA THR A 2 239.092 295.968 161.377 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA SER A 3 237.621 294.058 164.327 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PRO A 4 238.807 294.745 167.883 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PHE A 5 241.796 296.281 169.677 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA PHE A 6 242.845 294.920 173.077 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA THR A 7 245.653 293.199 174.992 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLU A 8 246.077 289.576 176.093 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA HIS A 9 246.827 286.378 174.163 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ASN A 10 249.371 284.693 171.881 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA TYR A 11 252.452 283.128 173.486 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 255.126 283.642 176.150 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 256.106 280.817 178.512 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA THR A 14 256.296 278.746 181.705 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA HIS A 15 258.777 278.748 184.597 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA THR A 16 258.191 276.807 187.822 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 255.829 273.894 187.151 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ILE A 18 255.795 270.084 187.128 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLN A 19 256.340 266.394 187.906 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 259.411 265.792 190.079 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA THR A 21 262.198 266.339 192.619 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA THR A 22 262.712 268.799 195.482 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA PRO A 23 262.737 271.544 198.124 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA PRO A 24 260.019 270.839 200.699 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLN A 25 258.819 267.233 200.434 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LEU A 26 255.385 265.602 200.695 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA PRO A 27 255.839 262.054 202.006 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASN A 28 255.462 259.430 204.743 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA THR A 29 253.184 257.456 207.074 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASP A 30 252.466 254.159 205.305 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA THR A 31 252.647 250.672 206.830 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA THR A 32 254.030 247.129 206.597 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 252.056 243.878 206.371 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLU A 34 249.681 241.310 204.861 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA THR A 35 246.903 240.172 207.207 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA THR A 36 245.769 237.275 209.406 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA TYR A 37 243.832 237.279 212.688 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA SER A 38 245.524 235.073 215.293 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA HIS A 39 245.579 231.475 214.041 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 248.057 229.063 212.441 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ILE A 41 251.417 229.550 210.712 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ASN A 42 254.890 229.999 212.213 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLU A 43 254.835 232.404 215.168 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA THR A 44 256.817 234.976 217.162 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLN A 45 258.069 233.547 220.464 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ASP A 46 260.109 231.357 222.822 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ARG A 47 259.932 232.051 226.564 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LYS A 48 261.251 230.715 229.880 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA THR A 49 264.761 231.428 231.179 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LYS A 50 267.575 233.910 231.840 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA SER A 51 267.645 236.794 229.351 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLN A 52 270.891 238.717 229.882 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA SER A 53 273.317 239.610 232.681 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA THR A 54 276.250 239.449 235.107 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA LEU A 55 275.280 240.526 238.631 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA PRO A 56 273.513 238.388 241.243 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ALA A 57 271.543 235.309 242.318 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA THR A 58 269.970 234.275 245.631 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ARG A 59 269.765 232.942 249.194 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA LYS A 60 269.547 234.424 252.697 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA PRO A 61 271.754 233.199 255.550 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 273.753 235.891 257.360 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ILE A 63 276.679 238.016 256.161 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ASN A 64 277.085 241.800 256.332 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 278.034 243.659 259.519 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA SER A 66 277.938 246.894 261.530 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLY A 67 277.145 250.587 261.032 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA SER A 68 276.115 253.495 263.269 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ASN A 69 272.490 254.540 262.738 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA PRO A 70 269.749 251.896 262.834 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA PRO A 71 267.162 250.842 260.243 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLU A 72 264.169 249.287 262.014 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ASN A 73 260.930 247.941 263.503 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA HIS A 74 259.388 245.423 261.095 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLN A 75 258.280 241.879 261.948 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ASP A 76 259.313 238.855 264.022 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA HIS A 77 257.988 237.067 267.115 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ASN A 78 259.718 233.929 268.411 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ASN A 79 259.505 230.165 268.955 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA SER A 80 262.057 227.427 268.241 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLN A 81 260.422 224.867 265.941 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA THR A 82 256.972 223.320 266.412 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA LEU A 83 253.235 223.903 266.868 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA PRO A 84 250.103 225.327 268.505 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA HIS A 85 246.584 226.293 267.411 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA VAL A 86 244.311 223.239 267.557 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA PRO A 87 244.522 220.315 265.125 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA CYS A 88 241.356 219.772 263.075 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA SER A 89 238.449 218.320 265.064 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA THR A 90 236.500 216.253 267.602 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA CYS A 91 234.489 213.209 266.507 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLU A 92 232.619 212.362 263.297 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA GLY A 93 231.272 215.575 261.755 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ASN A 94 232.426 216.602 258.273 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA PRO A 95 236.086 216.819 257.236 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ALA A 96 236.901 213.434 255.689 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA CYS A 97 240.668 212.998 255.320 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA SER A 98 244.399 213.640 254.892 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA SER A 99 244.751 215.521 251.597 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA LEU A 100 242.658 218.691 251.887 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA CYS A 101 243.990 222.197 251.216 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLN A 102 243.411 224.356 248.130 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA ILE A 103 241.325 227.482 247.503 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLY A 104 237.686 227.417 248.630 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA PRO A 105 236.728 228.710 252.083 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA GLU A 106 238.823 231.453 253.698 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ARG A 107 240.366 230.813 257.122 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA ALA A 108 239.597 227.365 258.549 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA SER A 109 236.021 227.642 259.835 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA SER A 110 234.468 228.561 263.191 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA ARG A 111 233.651 231.975 264.672 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA ALA A 112 236.475 233.418 266.783 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA PRO A 113 238.401 235.596 269.245 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA THR A 114 236.459 236.681 272.338 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ILE A 115 234.841 237.947 275.547 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA THR A 116 234.471 237.044 279.230 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA LEU A 117 234.876 233.258 279.368 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA LYS A 118 238.170 231.411 278.867 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA LYS A 119 237.391 228.729 276.275 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA THR A 120 239.886 227.248 273.806 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA PRO A 121 243.446 226.504 274.940 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA LYS A 122 247.009 227.818 274.638 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA PRO A 123 249.551 230.487 275.603 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA LYS A 124 252.960 231.310 274.112 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA THR A 125 253.925 234.914 274.881 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA THR A 126 254.504 236.690 278.202 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA LYS A 127 255.296 240.409 278.436 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA LYS A 128 256.621 241.293 274.975 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA PRO A 129 255.478 244.560 273.382 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA THR A 130 252.295 245.646 271.592 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA LYS A 131 249.943 242.809 270.625 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA THR A 132 246.753 240.788 270.122 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA THR A 133 243.496 240.579 268.157 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA ILE A 134 240.121 242.303 268.547 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA HIS A 135 239.866 244.415 271.708 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ARG A 136 237.578 247.446 271.403 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA LYS A 137 234.683 247.652 273.871 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA THR A 138 234.528 250.534 276.358 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA SER A 139 237.407 252.619 277.729 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA PRO A 140 239.727 253.683 274.900 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA GLU A 141 239.057 256.403 272.317 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA ALA A 142 240.347 259.226 270.108 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA LYS A 143 243.111 260.541 267.839 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA PRO A 144 246.659 259.279 268.418 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA GLN A 145 250.210 257.962 268.831 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA PRO A 146 252.337 258.597 271.928 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA LYS A 147 254.244 261.848 271.369 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA ASN A 148 252.801 265.364 271.099 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA ASN A 149 249.788 267.690 270.932 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA THR A 150 248.197 270.836 272.375 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA ALA A 151 248.060 273.927 274.600 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA ALA A 152 244.611 273.929 276.218 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA PRO A 153 243.083 277.247 275.136 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA GLN A 154 245.271 280.287 275.837 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA GLN A 155 248.720 281.210 277.166 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA GLY A 156 249.022 284.596 278.887 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA ILE A 157 247.212 285.996 281.933 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA LEU A 158 244.139 284.034 283.040 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA SER A 159 241.703 284.872 285.847 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA SER A 160 242.743 283.233 289.126 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA PRO A 161 244.617 283.300 292.442 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA GLU A 162 244.203 280.773 295.263 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA HIS A 163 242.598 277.476 294.227 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA HIS A 164 239.652 275.381 295.430 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA THR A 165 238.306 272.210 297.058 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA ASN A 166 240.351 270.188 299.557 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA GLN A 167 240.140 266.881 301.437 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA SER A 168 240.501 266.589 305.219 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA THR A 169 239.487 268.841 308.120 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA THR A 170 238.768 269.801 311.736 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA GLN A 171 237.501 273.274 312.655 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA ILE A 172 238.164 277.023 312.489 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA GLN A 173 239.245 280.307 314.089 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA GLN A 174 237.125 283.071 315.633 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA HIS A 175 239.299 285.695 317.337 1.00 0.00 C
|
| 178 |
+
ATOM 176 CA THR A 176 240.360 289.251 316.474 1.00 0.00 C
|
| 179 |
+
ATOM 177 CA SER A 177 238.032 291.832 314.913 1.00 0.00 C
|
| 180 |
+
ATOM 178 CA ILE A 178 235.001 293.318 313.147 1.00 0.00 C
|
| 181 |
+
TER 179 ILE A 178
|
| 182 |
+
END
|
Viruses/P87914/P87914.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:b04596d155f53fe8a2f3d53ad31d8e76a978f74175ce5ccf759e3541f5d1d11e
|
| 3 |
+
size 11600276
|
Viruses/P87914/top.pdb
ADDED
|
@@ -0,0 +1,94 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 221.670 265.573 236.270 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLU A 2 224.409 266.923 233.990 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PRO A 3 227.124 265.896 231.523 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 230.251 263.885 230.689 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 230.265 260.278 229.464 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 232.879 258.187 231.284 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ALA A 7 234.689 255.433 233.195 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 234.230 253.255 236.287 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA THR A 9 232.555 249.854 236.665 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 230.745 246.507 236.857 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 227.628 245.582 234.871 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 226.310 242.266 236.207 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLU A 13 229.381 240.021 236.422 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLY A 14 232.607 240.544 238.380 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ARG A 15 234.938 241.888 241.077 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PRO A 16 236.299 245.412 240.582 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLN A 17 236.376 248.916 242.076 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ARG A 18 237.539 252.488 242.710 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLU A 19 235.498 255.679 243.122 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLU A 20 235.565 256.868 246.741 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA PRO A 21 237.313 260.116 247.694 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 240.899 260.511 248.919 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ALA A 23 243.605 258.008 249.884 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ILE A 24 246.836 259.300 248.332 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PHE A 25 248.721 262.093 250.109 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 252.391 261.782 251.084 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 253.789 259.347 253.660 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ARG A 28 251.398 257.878 256.236 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ARG A 29 249.975 260.122 258.966 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 246.399 259.084 259.776 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA THR A 31 243.208 261.114 260.235 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA PRO A 32 243.472 264.197 262.458 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASP A 33 242.834 264.171 266.214 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 242.410 260.583 267.423 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 243.156 257.432 269.430 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 240.512 254.768 270.083 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 239.141 253.229 266.879 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 236.699 250.546 265.716 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 236.842 247.139 267.416 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ARG A 40 239.458 244.536 266.469 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLU A 41 241.874 242.883 264.031 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA LYS A 42 243.913 243.308 260.841 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ARG A 43 246.631 245.908 261.449 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 250.378 245.448 260.933 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLU A 45 253.728 246.795 262.148 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 257.046 248.362 261.124 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLY A 47 256.928 251.660 259.220 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA SER A 48 260.209 253.075 257.896 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLY A 49 259.558 256.492 256.342 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA SER A 50 261.147 258.933 258.799 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA LYS A 51 263.799 260.910 256.908 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 264.992 262.340 253.584 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ARG A 53 262.710 261.650 250.612 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA THR A 54 261.018 258.348 249.747 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLN A 55 260.524 257.452 246.077 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA THR A 56 259.133 257.769 242.544 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA THR A 57 261.299 257.724 239.410 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA PHE A 58 263.770 257.549 236.515 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 266.666 255.605 234.981 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA CYS A 60 266.838 251.854 234.336 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ARG A 61 264.796 249.768 231.888 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 264.228 246.031 231.414 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA LEU A 63 261.879 244.886 234.186 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA SER A 64 263.720 243.695 237.302 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 263.355 242.930 241.017 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA PRO A 66 263.041 243.788 244.715 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA SER A 67 259.344 243.300 245.497 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA SER A 68 256.812 246.049 244.760 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA GLU A 69 255.768 247.468 248.139 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ALA A 70 252.913 249.838 249.002 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA SER A 71 249.966 252.054 249.962 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ARG A 72 247.597 251.108 252.792 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLY A 73 246.628 247.778 254.370 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 245.154 244.443 253.264 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLY A 75 246.979 241.100 253.170 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA LEU A 76 248.934 240.737 256.420 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA CYS A 77 249.678 237.597 258.445 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLU A 78 251.085 234.363 257.004 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ALA A 79 254.384 232.524 256.504 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLY A 80 257.805 233.553 255.181 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLY A 81 260.828 231.475 256.210 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLY A 82 264.621 231.814 256.080 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLU A 83 268.395 232.179 255.707 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA GLY A 84 271.263 229.879 254.705 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA GLU A 85 274.936 229.962 253.698 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA LEU A 86 277.750 231.894 255.390 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA VAL A 87 277.366 234.484 258.158 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA GLY A 88 277.955 238.214 258.666 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ALA A 89 277.193 240.776 261.381 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ASP A 90 273.449 240.833 262.083 1.00 0.00 C
|
| 93 |
+
TER 91 ASP A 90
|
| 94 |
+
END
|
Viruses/P89479/P89479.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:b3bebd582698a64835f19cdbc5eaf37c539bcd081717804235bcf85fd20db216
|
| 3 |
+
size 18920276
|
Viruses/P89479/top.pdb
ADDED
|
@@ -0,0 +1,155 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 270.727 253.807 211.176 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 270.833 251.872 207.896 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA SER A 3 269.299 248.391 207.684 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 267.436 248.308 204.362 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA VAL A 5 265.229 245.247 203.838 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA SER A 6 266.786 242.112 205.343 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA PRO A 7 269.262 240.545 202.908 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ALA A 8 268.477 240.409 199.182 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA HIS A 9 265.776 241.674 196.811 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 265.476 241.012 193.071 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLN A 11 267.334 243.364 190.719 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA THR A 12 270.191 245.718 189.817 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA PRO A 13 272.239 248.800 188.910 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA VAL A 14 275.796 249.877 189.751 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 278.839 251.703 191.138 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ALA A 16 278.968 254.295 193.927 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLY A 17 279.881 255.650 197.369 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 283.494 256.854 197.460 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ARG A 19 285.898 255.248 199.941 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ASP A 20 285.898 251.508 200.667 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LEU A 21 282.824 249.422 199.823 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 280.294 246.783 198.752 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA LEU A 23 281.041 245.002 195.467 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LYS A 24 284.013 246.417 193.549 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 287.210 245.051 195.107 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA THR A 26 289.467 244.861 198.170 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA PRO A 27 293.240 245.354 197.967 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 296.684 243.901 198.701 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 298.544 245.310 201.713 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 301.791 243.435 202.395 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA MET A 31 304.022 245.994 204.125 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLN A 32 305.612 247.101 207.405 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 305.511 248.751 210.838 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 304.312 252.296 211.554 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 304.164 254.564 214.612 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 302.519 257.796 215.779 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ASP A 37 299.874 259.667 213.774 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA THR A 38 296.084 259.525 214.136 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA LEU A 39 293.985 262.692 214.426 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLU A 40 291.912 263.915 211.472 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 289.635 266.708 210.236 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA HIS A 42 286.008 266.498 209.086 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 283.566 269.336 209.790 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA LEU A 44 284.702 272.319 211.869 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA PRO A 45 283.458 271.984 215.454 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA THR A 46 281.214 270.470 218.136 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ASP A 47 280.745 269.616 221.820 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLY A 48 278.947 272.087 224.095 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA PRO A 49 281.409 274.794 225.155 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA PRO A 50 285.098 273.998 225.674 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA HIS A 51 287.215 273.836 228.838 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 286.049 271.159 231.286 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLY A 53 285.867 271.639 235.061 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLY A 54 285.220 268.309 236.795 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ASP A 55 281.767 267.226 237.987 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA HIS A 56 279.068 268.237 235.495 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ASP A 57 278.080 266.399 232.306 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA PRO A 58 275.721 266.401 229.315 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ALA A 59 272.208 265.171 230.127 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ALA A 60 271.996 265.379 233.925 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLY A 61 269.346 266.755 236.291 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA LYS A 62 265.803 265.501 235.667 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ARG A 63 263.134 266.018 238.336 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLY A 64 262.240 265.235 241.956 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ASP A 65 262.929 264.008 245.496 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA SER A 66 263.225 261.396 248.254 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLY A 67 263.780 263.114 251.610 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA LEU A 68 262.422 263.022 255.168 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA LEU A 69 262.507 261.867 258.798 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ARG A 70 261.395 258.448 260.060 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA VAL A 71 259.551 256.724 262.913 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA CYS A 72 255.894 257.767 263.147 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ALA A 73 253.188 257.500 260.478 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 249.662 256.105 260.102 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA LEU A 75 248.226 252.987 258.449 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA SER A 76 249.296 249.525 257.271 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ILE A 77 250.778 246.280 255.933 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA PRO A 78 250.154 245.454 252.267 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA LYS A 79 246.954 244.318 250.539 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA PRO A 80 247.123 244.664 246.748 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA SER A 81 244.546 245.812 244.187 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLU A 82 241.169 245.011 242.615 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ALA A 83 237.827 243.520 243.674 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA VAL A 84 237.642 241.571 246.943 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ARG A 85 239.422 238.838 248.912 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA PRO A 86 237.690 235.788 250.400 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA SER A 87 237.630 235.666 254.208 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ARG A 88 234.949 234.733 256.748 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ILE A 89 232.093 232.541 257.997 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA PRO A 90 232.248 232.558 261.804 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ARG A 91 230.179 233.183 264.942 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ALA A 92 231.024 232.984 268.652 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA PRO A 93 233.554 233.600 271.432 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ARG A 94 236.155 235.028 273.823 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA VAL A 95 237.921 238.237 274.869 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA PRO A 96 241.044 239.862 276.328 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA ARG A 97 240.368 243.243 277.950 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA GLU A 98 236.719 244.253 277.526 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA PRO A 99 234.256 243.375 280.297 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ARG A 100 231.553 241.313 278.577 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA VAL A 101 232.170 237.578 278.142 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA PRO A 102 230.199 235.951 280.968 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA ARG A 103 229.240 232.412 279.930 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLU A 104 226.148 231.489 281.955 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA PRO A 105 224.604 229.060 284.451 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ARG A 106 222.726 230.962 287.166 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLU A 107 219.831 231.167 289.635 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA PRO A 108 217.081 229.404 291.594 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA ARG A 109 213.957 227.730 292.993 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA VAL A 110 210.784 229.587 291.991 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA PRO A 111 208.405 229.941 289.036 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA ARG A 112 204.722 230.681 289.673 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA SER A 113 202.312 233.056 291.425 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA PRO A 114 199.225 235.275 291.172 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ARG A 115 197.819 238.709 290.308 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA GLU A 116 198.899 241.966 291.965 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA PRO A 117 199.973 245.525 291.131 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA ARG A 118 197.405 248.252 291.828 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA VAL A 119 194.987 248.142 294.771 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA PRO A 120 192.958 251.308 295.381 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ARG A 121 195.060 254.344 296.322 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA ILE A 122 197.281 256.585 294.187 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA PRO A 123 197.386 260.061 292.632 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA ARG A 124 198.704 263.436 293.812 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ASP A 125 198.536 266.189 291.183 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA PRO A 126 200.113 267.608 288.018 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA ARG A 127 203.005 265.345 287.002 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA PRO A 128 204.836 262.603 288.911 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA PRO A 129 202.924 259.309 288.804 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA ARG A 130 205.092 256.759 286.984 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA PRO A 131 208.414 255.151 286.036 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA PRO A 132 209.068 254.298 282.381 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ARG A 133 210.670 252.378 279.506 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA VAL A 134 211.236 248.610 279.478 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA PRO A 135 213.438 246.086 281.294 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ARG A 136 214.663 246.462 284.882 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA GLU A 137 214.854 243.163 286.778 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA PRO A 138 216.110 239.955 288.406 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA ARG A 139 218.992 239.087 290.742 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA PRO A 140 221.637 240.005 293.326 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA PRO A 141 223.813 237.095 294.472 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA ARG A 142 226.940 236.355 296.519 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA GLU A 143 229.494 237.072 299.254 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA PRO A 144 230.723 240.655 299.663 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA ARG A 145 232.129 243.072 302.251 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA ALA A 146 229.401 245.216 303.825 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA THR A 147 225.676 245.539 304.556 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA ARG A 148 225.341 245.563 308.351 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA GLY A 149 228.598 244.923 310.221 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA LEU A 150 229.324 247.723 312.700 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA ALA A 151 228.586 247.560 316.435 1.00 0.00 C
|
| 154 |
+
TER 152 ALA A 151
|
| 155 |
+
END
|
Viruses/P89827/P89827.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:3cef8fbba6e863e957491641cb84317aabfd6ea5c267a6892f57ee700d0a809b
|
| 3 |
+
size 7880276
|
Viruses/P89827/top.pdb
ADDED
|
@@ -0,0 +1,63 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 245.155 279.720 231.840 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 241.802 281.146 232.952 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ILE A 3 240.019 283.550 230.595 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA SER A 4 237.094 282.870 228.250 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA TYR A 5 234.018 280.824 227.318 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 234.470 277.051 227.031 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 237.455 275.233 228.547 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LYS A 8 241.025 274.142 229.310 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LYS A 9 241.649 272.875 232.848 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 245.406 272.273 233.045 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 247.245 269.189 231.772 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 247.626 266.614 228.990 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 248.143 263.049 227.747 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 250.050 259.926 228.808 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 248.057 256.746 229.464 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PRO A 16 244.618 255.880 230.857 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA TYR A 17 241.063 254.593 230.386 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLN A 18 237.888 254.208 232.457 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 236.405 256.898 234.711 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 237.832 256.986 238.242 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LYS A 21 240.730 254.570 238.777 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ASP A 22 240.620 251.988 241.576 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA HIS A 23 242.043 248.713 242.906 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLN A 24 240.515 245.226 243.045 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASN A 25 237.563 242.817 243.094 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 235.509 242.952 246.300 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ILE A 27 235.003 239.325 247.348 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 235.082 235.527 247.048 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LYS A 29 238.580 234.308 246.157 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLN A 30 241.043 233.458 248.937 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 244.146 231.460 249.883 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LEU A 32 247.951 231.632 249.799 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 249.395 234.940 248.578 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLN A 34 252.404 237.252 248.239 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA THR A 35 256.124 238.041 248.472 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLN A 36 258.293 235.589 250.420 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 257.651 235.834 254.168 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASP A 38 259.139 238.311 256.651 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA SER A 39 259.469 242.086 256.252 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA THR A 40 256.255 244.121 256.463 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 254.506 245.879 259.355 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA PRO A 42 254.708 246.850 263.034 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLU A 43 257.575 245.275 264.987 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 259.306 242.065 266.090 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 262.343 239.966 265.147 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA LYS A 46 264.661 239.222 268.077 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LYS A 47 268.078 238.888 269.730 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLU A 48 270.868 240.156 271.994 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA VAL A 49 270.672 242.886 274.644 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLU A 50 269.107 246.163 273.493 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA SER A 51 265.513 247.291 272.925 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA LYS A 52 261.776 246.965 273.592 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ALA A 53 261.549 244.247 276.253 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLU A 54 263.894 241.248 276.116 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA THR A 55 261.577 238.229 275.930 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ASP A 56 263.416 235.537 277.902 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ARG A 57 262.353 232.863 280.399 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA PHE A 58 258.618 232.397 280.990 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ASP A 59 254.949 231.949 280.067 1.00 0.00 C
|
| 62 |
+
TER 60 ASP A 59
|
| 63 |
+
END
|
Viruses/P89833/P89833.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:95dd7b4014579b830293424eb384881655dafdc5449789015139a8fb532192b8
|
| 3 |
+
size 7880276
|
Viruses/P89833/top.pdb
ADDED
|
@@ -0,0 +1,63 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 257.921 250.829 291.872 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 257.113 249.085 288.582 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ILE A 3 253.446 248.058 288.491 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA SER A 4 250.803 250.751 289.021 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA TYR A 5 249.795 254.379 289.604 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 246.817 256.723 289.214 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 246.215 259.211 286.392 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LYS A 8 249.066 261.494 285.305 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LYS A 9 252.747 260.849 286.046 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 255.127 262.617 283.654 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 255.045 264.745 280.495 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 257.059 267.881 279.706 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 256.684 268.604 275.984 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 253.508 267.576 274.148 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ARG A 15 251.920 264.113 274.122 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PRO A 16 251.976 261.276 271.579 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 254.877 258.889 270.948 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLN A 18 254.773 255.688 268.885 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ASN A 19 254.747 254.080 265.431 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 255.032 254.925 261.726 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLU A 21 254.378 257.887 259.420 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ASP A 22 255.768 259.619 256.325 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA HIS A 23 256.622 262.707 254.263 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLN A 24 256.616 265.733 251.948 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA SER A 25 253.190 266.006 250.302 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 253.414 264.504 246.808 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ILE A 27 252.213 266.794 244.010 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 249.129 265.402 242.259 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LYS A 29 248.082 261.789 242.868 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLN A 30 245.466 259.226 241.820 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 246.050 255.631 240.702 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LEU A 32 243.349 253.799 238.736 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 240.793 251.310 237.400 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA HIS A 34 237.033 250.728 237.192 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA THR A 35 235.891 248.296 239.894 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLN A 36 236.631 244.982 241.622 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 239.595 242.646 241.097 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA VAL A 38 241.944 239.666 240.752 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA SER A 39 245.128 237.931 239.581 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA THR A 40 247.972 235.865 238.114 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 247.377 233.863 234.927 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA PRO A 42 249.080 233.263 231.572 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLU A 43 251.612 235.927 230.567 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 252.666 238.138 233.485 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 251.255 241.664 233.791 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA LYS A 46 248.433 243.402 231.913 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LYS A 47 245.281 242.412 230.014 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLU A 48 246.041 241.082 226.526 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA VAL A 49 246.127 238.948 223.371 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLU A 50 246.238 235.924 221.056 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA SER A 51 246.288 235.825 217.248 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA LYS A 52 244.009 232.977 216.146 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ALA A 53 245.388 229.457 216.617 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLU A 54 248.245 228.783 219.046 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA THR A 55 250.591 231.758 219.451 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ASP A 56 253.041 233.640 217.220 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ARG A 57 255.093 236.220 219.130 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA PHE A 58 257.904 237.084 221.552 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ASP A 59 261.395 237.336 220.047 1.00 0.00 C
|
| 62 |
+
TER 60 ASP A 59
|
| 63 |
+
END
|
Viruses/P89841/P89841.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:5f9835b95b0d00f6ed95103992a177769e69a5b7efa75f2596c0306d5acdea50
|
| 3 |
+
size 9080276
|
Viruses/P89841/top.pdb
ADDED
|
@@ -0,0 +1,73 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 PHE A 1 242.659 271.892 297.635 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PHE A 2 240.284 270.805 294.861 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 239.613 268.368 292.011 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLU A 4 239.257 269.645 288.439 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ASN A 5 236.079 271.591 287.643 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LEU A 6 236.034 274.667 285.396 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ALA A 7 235.269 277.098 282.563 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PHE A 8 233.459 280.013 284.220 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PRO A 9 235.515 283.214 284.425 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLN A 10 238.484 282.946 282.052 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 238.813 283.773 278.348 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLU A 12 240.878 282.176 275.572 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 243.252 279.398 276.649 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 246.955 278.505 276.576 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLU A 15 250.003 279.638 274.590 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PHE A 16 252.544 277.545 272.672 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 254.035 274.223 271.551 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA THR A 18 252.413 271.609 269.303 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLU A 19 249.867 268.782 269.101 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLN A 20 246.490 268.064 267.490 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ALA A 21 243.820 270.435 268.819 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ARG A 22 240.271 269.066 268.617 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ALA A 23 237.588 266.416 269.160 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ASN A 24 239.330 263.118 268.383 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA SER A 25 239.586 260.450 265.675 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 241.300 257.985 263.329 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA THR A 27 244.872 257.213 264.404 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 246.081 253.607 264.162 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ARG A 29 246.199 252.369 260.560 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LYS A 30 246.403 252.609 256.763 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LEU A 31 247.755 250.192 254.147 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLN A 32 250.915 248.114 254.606 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA VAL A 33 251.346 247.524 258.346 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 253.126 244.360 259.501 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 256.691 245.004 260.681 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASP A 36 259.603 244.126 258.385 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ASN A 37 260.073 241.295 255.879 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA PRO A 38 259.145 239.615 252.588 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 255.735 239.574 250.888 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 253.938 236.312 251.694 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLU A 41 251.840 233.486 250.235 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ALA A 42 253.750 231.384 247.695 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLY A 43 251.888 230.198 244.590 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ALA A 44 249.312 228.341 242.485 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLU A 45 246.250 226.079 242.332 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 247.638 222.560 242.784 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLN A 47 250.888 220.601 242.435 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLY A 48 254.351 219.625 241.181 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA THR A 49 255.522 221.993 238.435 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LEU A 50 257.504 222.553 235.230 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ASN A 51 256.341 224.709 232.312 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA PHE A 52 257.130 228.400 231.792 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA PRO A 53 255.810 230.258 228.739 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLN A 54 253.639 229.722 225.654 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ILE A 55 252.949 233.035 223.903 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA THR A 56 253.463 233.803 220.207 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA LEU A 57 251.800 236.704 218.380 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA TRP A 58 252.906 238.513 215.215 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLN A 59 252.418 238.969 211.464 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ARG A 60 255.339 237.985 209.224 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA PRO A 61 258.902 238.838 208.177 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA LEU A 62 262.502 239.683 207.261 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ASN A 63 264.179 236.713 205.563 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA SER A 64 262.310 235.720 202.395 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ARG A 65 262.879 234.044 199.021 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA LYS A 66 261.768 233.846 195.382 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA PRO A 67 263.913 231.991 192.837 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ASN A 68 263.474 230.169 189.520 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA SER A 69 263.654 226.742 187.865 1.00 0.00 C
|
| 72 |
+
TER 70 SER A 69
|
| 73 |
+
END
|
Viruses/P89878/P89878.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:62796bd1000422f7b1fb7b9cca6cc36fb977cecca0e18ef693f3f38890d6e4ff
|
| 3 |
+
size 4400276
|
Viruses/P89878/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 MET A 1 255.400 232.625 254.810 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ASN A 2 255.396 232.678 258.620 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LYS A 3 253.377 233.001 261.835 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLN A 4 254.986 235.224 264.478 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ASN A 5 254.891 238.969 265.173 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ALA A 6 251.232 240.021 265.328 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLY A 7 249.282 239.483 262.100 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLY A 8 246.827 241.394 259.901 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ASP A 9 246.868 244.746 258.089 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 245.306 247.429 255.881 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLN A 11 241.936 248.888 254.865 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 238.597 248.887 253.031 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA PRO A 13 236.461 250.177 250.151 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA HIS A 14 235.492 252.845 247.609 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ALA A 15 234.477 255.279 244.860 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA HIS A 16 236.423 257.790 242.757 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LEU A 17 238.463 255.983 240.096 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASP A 18 242.271 256.121 240.079 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 245.477 255.284 238.199 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 249.103 256.005 239.121 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LYS A 21 251.917 258.354 238.082 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 253.368 261.786 238.875 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA HIS A 23 254.720 261.990 242.431 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ALA A 24 258.419 261.080 242.525 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA HIS A 25 262.027 259.858 242.614 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PHE A 26 262.950 256.207 242.038 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA LEU A 27 263.347 253.970 245.096 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 260.267 254.475 247.281 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA SER A 29 258.978 255.162 250.801 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 261.741 254.290 253.275 1.00 0.00 C
|
| 33 |
+
TER 31 ARG A 30
|
| 34 |
+
END
|
Viruses/Q00DY4/Q00DY4.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:6fcd11fb6e5d8b4e6e1d777a3b097042ee83229e730f4797eb9733da1d930b07
|
| 3 |
+
size 7640276
|
Viruses/Q00DY4/top.pdb
ADDED
|
@@ -0,0 +1,61 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 243.181 302.391 229.259 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 245.324 299.419 230.305 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLY A 3 246.396 295.983 231.555 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LYS A 4 245.717 292.300 232.252 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA TRP A 5 243.397 291.630 235.199 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA SER A 6 241.697 288.337 236.086 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LYS A 7 237.943 288.835 236.507 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 235.081 288.927 239.021 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 236.355 289.646 242.539 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ILE A 10 234.215 288.717 245.551 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ILE A 11 235.047 286.354 248.421 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 234.910 282.627 249.203 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA TRP A 13 236.492 279.703 247.343 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA PRO A 14 239.201 277.046 246.996 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LYS A 15 240.260 274.608 249.726 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA VAL A 16 239.406 271.104 250.953 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 240.636 270.376 254.485 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASP A 18 242.966 272.967 256.027 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ARG A 19 246.089 274.728 254.739 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA MET A 20 248.369 271.919 253.544 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 251.526 271.670 255.663 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ARG A 22 252.598 270.580 259.153 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ALA A 23 252.880 269.680 262.844 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLU A 24 253.858 266.248 264.178 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PRO A 25 256.210 263.255 264.346 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 259.867 262.714 265.267 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 263.336 261.257 264.662 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 264.149 257.552 265.015 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 261.884 254.507 264.683 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA VAL A 30 262.027 250.749 265.298 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLY A 31 260.728 247.327 266.356 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA PRO A 32 260.470 244.097 264.353 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ALA A 33 260.450 240.808 262.429 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 257.293 238.737 262.941 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 254.062 240.749 262.783 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASP A 36 250.650 239.171 262.158 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA LEU A 37 250.379 236.189 259.802 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLU A 38 251.898 232.696 259.899 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 249.316 230.158 258.715 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA HIS A 40 248.777 227.530 256.009 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 251.184 226.878 253.128 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ALA A 42 253.410 224.025 251.938 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA LEU A 43 253.407 221.432 249.147 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA THR A 44 250.761 218.716 248.779 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 250.790 214.918 249.085 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 253.071 211.879 249.363 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ASN A 47 252.509 208.632 247.451 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA THR A 48 252.947 205.045 248.659 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ALA A 49 254.053 202.583 245.970 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA THR A 50 254.599 202.030 242.241 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ASN A 51 254.849 198.389 241.148 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ASN A 52 253.715 196.878 237.839 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ALA A 53 252.852 199.081 234.853 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ASP A 54 253.467 202.832 234.599 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA CYS A 55 254.961 206.139 233.439 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ALA A 56 257.388 209.076 233.466 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA CYS A 57 260.995 208.175 232.631 1.00 0.00 C
|
| 60 |
+
TER 58 CYS A 57
|
| 61 |
+
END
|
Viruses/Q03873/Q03873.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:e0d3173deb3255bcef8730d78b7df2458b26c3f7a7994b17aa10a75b5b0e037b
|
| 3 |
+
size 9320276
|
Viruses/Q03873/top.pdb
ADDED
|
@@ -0,0 +1,75 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 GLN A 1 256.047 230.615 286.540 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 257.377 234.184 286.465 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PRO A 3 258.800 237.440 287.841 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 256.965 240.738 287.320 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 257.193 243.725 289.675 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 255.410 246.726 288.149 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ALA A 7 252.675 248.249 285.978 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ASP A 8 251.373 246.074 283.133 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PHE A 9 251.799 244.463 279.707 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 249.494 242.868 277.127 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 248.909 240.799 273.982 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 245.412 240.466 272.506 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 243.233 237.341 272.500 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLY A 14 240.843 236.796 269.583 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLU A 15 239.855 239.339 266.924 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLU A 16 241.437 242.706 267.744 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 244.596 242.817 265.616 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 246.070 239.307 265.470 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 249.344 238.608 267.290 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLU A 20 252.283 237.454 265.157 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLU A 21 255.192 238.334 262.860 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLU A 22 255.422 241.177 260.334 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLU A 23 257.141 244.266 258.914 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLU A 24 256.858 248.058 259.142 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLU A 25 257.692 251.700 259.888 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 258.005 252.125 263.662 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA PRO A 27 255.374 251.458 266.335 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ALA A 28 252.753 254.163 266.908 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLN A 29 251.436 257.662 266.170 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ALA A 30 248.557 258.191 263.732 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA PRO A 31 246.915 261.409 262.521 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LEU A 32 244.717 264.047 264.170 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASP A 33 244.912 267.546 265.666 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLU A 34 243.605 270.472 267.726 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 242.382 273.036 265.187 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASP A 36 240.053 274.165 262.391 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLN A 37 238.376 271.170 260.738 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA LEU A 38 235.632 269.436 258.743 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA MET A 39 235.259 265.645 258.812 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA TYR A 40 232.105 264.487 257.017 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ALA A 41 232.786 263.405 253.428 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ASP A 42 235.776 261.430 252.134 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLN A 43 239.229 260.925 250.604 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA TYR A 44 241.130 263.542 248.591 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 242.801 261.651 245.736 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA VAL A 46 243.529 257.964 245.116 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLY A 47 243.955 255.972 241.896 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ASP A 48 245.844 252.671 242.111 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 249.430 253.603 241.223 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA SER A 50 252.733 252.964 239.434 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ASP A 51 255.962 254.669 238.347 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLU A 52 257.644 252.736 235.528 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASN A 53 258.618 249.399 233.968 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ASP A 54 260.881 249.352 230.903 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLU A 55 260.781 245.778 229.586 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLU A 56 257.870 245.682 227.130 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLU A 57 256.225 242.257 227.414 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ASP A 58 255.879 240.903 223.870 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA PRO A 59 255.599 242.538 220.440 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ARG A 60 257.965 243.674 217.678 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA LEU A 61 259.997 243.639 214.455 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLY A 62 259.319 242.441 210.903 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA SER A 63 257.077 244.807 208.930 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ASP A 64 255.877 242.796 205.925 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA TYR A 65 253.601 244.786 203.606 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA PRO A 66 255.182 247.855 201.994 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA THR A 67 254.399 249.866 198.854 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA SER A 68 253.747 249.315 195.141 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ALA A 69 250.246 248.093 194.266 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLU A 70 247.706 249.425 191.759 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA SER A 71 246.710 246.600 189.405 1.00 0.00 C
|
| 74 |
+
TER 72 SER A 71
|
| 75 |
+
END
|
Viruses/Q04247/Q04247.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:2d8863fbd522a7decc82f77615ae20cce6ba3293d796b4f93aa4c1468a70d4fe
|
| 3 |
+
size 4400276
|
Viruses/Q04247/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 TYR A 1 240.309 266.581 268.256 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LYS A 2 244.100 266.917 268.073 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLY A 3 245.827 268.863 265.289 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA THR A 4 249.311 270.376 265.583 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA MET A 5 252.381 268.489 264.346 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ASP A 6 251.902 264.995 262.904 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA SER A 7 250.801 262.991 259.856 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLY A 8 249.847 259.385 259.082 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLN A 9 247.594 257.236 256.886 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA THR A 10 246.539 253.860 255.469 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 248.244 253.261 252.115 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 251.745 252.553 250.789 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLU A 13 252.914 249.051 251.729 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA LEU A 14 256.697 249.090 251.271 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LYS A 15 259.693 249.919 249.069 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA SER A 16 259.825 248.672 245.471 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PHE A 17 258.838 251.005 242.625 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASP A 18 255.382 250.953 241.020 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ILE A 19 252.869 249.463 243.465 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 250.052 249.069 246.000 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLN A 21 248.814 245.484 245.642 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA CYS A 22 246.085 245.326 242.988 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA PRO A 23 245.447 244.908 239.255 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LYS A 24 244.758 241.480 237.742 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ILE A 25 245.586 237.787 237.298 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 247.266 234.376 237.066 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 249.287 231.168 237.444 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA HIS A 28 250.060 227.471 237.943 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 249.452 225.935 241.377 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA SER A 30 248.376 223.336 243.947 1.00 0.00 C
|
| 33 |
+
TER 31 SER A 30
|
| 34 |
+
END
|
Viruses/Q04259/Q04259.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:f517f81c9f7e138168ff98257061850f8f34015c263d7141a0b9ec93fcce4b12
|
| 3 |
+
size 5480276
|
Viruses/Q04259/top.pdb
ADDED
|
@@ -0,0 +1,43 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 GLN A 1 240.722 266.036 223.580 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ARG A 2 240.614 269.831 223.897 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 242.377 271.210 226.980 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 243.692 271.027 230.551 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PHE A 5 243.544 267.368 231.604 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 240.705 265.001 232.528 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 240.002 261.298 231.970 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ASN A 8 242.800 258.768 232.499 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ALA A 9 245.982 258.309 234.544 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA LEU A 10 249.232 258.252 236.532 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASP A 11 249.181 255.411 239.070 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 249.940 255.081 242.789 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASN A 13 251.510 257.503 245.276 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLY A 14 249.099 257.517 248.226 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ASP A 15 247.077 258.202 251.382 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PRO A 16 247.861 255.343 253.774 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASN A 17 248.142 251.874 252.224 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASN A 18 245.026 249.725 252.656 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA MET A 19 245.067 246.990 255.309 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA HIS A 20 247.325 243.923 255.201 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 250.943 243.632 256.359 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 251.941 246.623 258.498 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA VAL A 23 252.863 245.131 261.881 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LYS A 24 252.461 245.943 265.582 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLN A 25 255.264 244.730 267.860 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ASN A 26 255.431 240.955 267.368 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 253.219 237.984 268.260 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA LYS A 28 253.147 234.410 266.940 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LEU A 29 253.487 230.619 267.100 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LYS A 30 256.789 228.928 266.231 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 258.200 231.057 263.404 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLU A 32 255.939 233.189 261.200 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ILE A 33 256.203 236.079 258.732 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA THR A 34 255.039 239.701 258.516 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA PHE A 35 256.881 241.623 255.790 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA HIS A 36 257.514 244.944 254.033 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 255.260 245.303 250.982 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 253.659 248.687 250.277 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA LYS A 39 255.864 251.792 250.397 1.00 0.00 C
|
| 42 |
+
TER 40 LYS A 39
|
| 43 |
+
END
|
Viruses/Q04397/Q04397.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:48b870d7a73158ff3244cbc47cd3ded6e0754d9df04e5eb223c1d7b599c34954
|
| 3 |
+
size 93520276
|
Viruses/Q04397/top.pdb
ADDED
|
@@ -0,0 +1,387 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-01
|
| 2 |
+
CRYST1 960.000 960.000 960.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA VAL A 1 458.027 396.002 470.500 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA TRP A 2 461.438 394.599 471.454 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLU A 3 464.232 396.753 470.015 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 465.793 399.050 472.623 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLU A 5 466.006 402.812 472.062 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 468.795 405.286 471.273 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 472.295 406.456 472.217 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 472.259 409.914 473.816 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 472.747 413.627 473.115 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 475.601 415.470 471.392 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 479.342 414.805 471.115 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLU A 12 481.486 417.934 470.754 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA VAL A 13 481.781 419.864 474.025 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLU A 14 483.612 423.149 473.415 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 482.933 426.738 474.498 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ASP A 16 483.963 426.856 478.164 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 483.435 429.797 480.529 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 483.001 433.527 479.886 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 479.598 434.791 478.729 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA LEU A 20 476.960 436.974 480.399 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA CYS A 21 474.600 436.746 483.381 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA TRP A 22 475.446 438.136 486.826 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLN A 23 476.286 435.158 489.049 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA SER A 24 475.969 431.441 489.824 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PRO A 25 474.926 427.803 489.384 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 473.660 424.747 491.274 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASP A 27 472.583 422.445 494.112 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 475.401 420.569 495.860 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LEU A 29 475.575 416.774 495.568 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 479.237 415.852 495.064 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA PRO A 31 481.290 418.924 495.994 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA SER A 32 483.401 420.275 493.125 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLY A 33 485.285 418.052 490.670 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PRO A 34 488.445 419.112 488.824 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 491.457 421.098 490.046 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 494.591 419.082 489.251 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 494.996 415.568 487.834 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA PRO A 38 498.042 413.343 487.295 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA SER A 39 500.667 412.590 489.952 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ALA A 40 503.146 411.689 492.701 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA PRO A 41 502.616 410.608 496.315 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLN A 42 503.293 411.325 499.995 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA THR A 43 507.015 410.984 500.735 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASP A 44 508.805 414.320 500.315 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA PRO A 45 511.938 416.319 501.156 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ARG A 46 515.513 415.017 501.359 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA VAL A 47 518.293 416.558 499.259 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA SER A 48 519.527 418.240 496.070 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ARG A 49 519.731 417.465 492.346 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLN A 50 519.744 420.659 490.269 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 517.686 422.931 488.007 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA PRO A 52 516.282 424.715 484.947 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ALA A 53 515.944 426.033 481.388 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA SER A 54 518.858 424.947 479.187 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA SER A 55 518.198 421.249 478.550 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 519.436 418.944 481.320 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ALA A 57 517.952 415.452 481.669 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ALA A 58 515.359 412.865 480.619 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 512.563 412.474 478.061 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA SER A 60 512.200 413.569 474.430 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA PRO A 61 513.650 414.896 471.166 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 516.804 417.035 471.174 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLN A 63 518.865 420.222 471.502 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ALA A 64 522.548 419.274 471.735 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 524.119 416.597 473.944 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLN A 66 527.160 416.594 476.239 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA THR A 67 530.697 416.269 474.861 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ARG A 68 534.263 417.004 473.739 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA VAL A 69 536.901 415.328 471.559 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA SER A 70 535.139 412.249 470.170 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ALA A 71 532.016 413.213 468.211 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 531.059 413.817 464.573 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ARG A 73 529.651 415.956 461.752 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 532.249 417.780 459.645 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ASP A 75 533.819 418.226 456.202 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ARG A 76 537.428 419.440 456.338 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA PRO A 77 540.302 421.781 457.218 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ARG A 78 538.916 424.574 459.407 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ALA A 79 539.472 428.281 460.092 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA TRP A 80 540.202 431.889 461.072 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ARG A 81 537.134 433.457 462.697 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA LEU A 82 534.325 435.678 464.000 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA LEU A 83 533.467 439.147 465.320 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA GLY A 84 533.200 442.633 466.834 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ALA A 85 532.767 446.400 466.465 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA SER A 86 533.226 450.178 466.638 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ARG A 87 536.732 450.887 467.950 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ARG A 88 539.334 448.885 466.017 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA GLY A 89 542.312 448.651 463.652 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA TRP A 90 542.121 451.536 461.172 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA PHE A 91 540.544 450.493 457.864 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA CYS A 92 540.872 448.195 454.843 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA PRO A 93 540.827 447.110 451.191 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA SER A 94 539.254 443.647 450.973 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA LEU A 95 538.946 439.948 451.836 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA CYS A 96 536.052 437.643 450.927 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA PRO A 97 534.258 434.949 452.938 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA SER A 98 534.149 435.149 456.741 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLU A 99 530.965 435.998 458.653 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA GLU A 100 528.091 438.252 457.569 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA PRO A 101 529.170 441.648 456.219 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLY A 102 529.637 441.961 452.451 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA THR A 103 532.670 443.023 450.404 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA SER A 104 532.172 446.533 449.009 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA GLY A 105 529.374 448.954 449.920 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA THR A 106 526.332 447.970 451.991 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA PRO A 107 523.206 448.802 449.978 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA GLU A 108 523.670 450.524 446.611 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA PRO A 109 525.509 450.533 443.275 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA LEU A 110 525.242 449.117 439.748 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA GLY A 111 526.029 451.790 437.149 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA PRO A 112 529.009 453.700 438.560 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ALA A 113 529.980 456.272 441.198 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA SER A 114 528.685 459.832 440.791 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ARG A 115 525.400 460.054 442.709 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ARG A 116 522.732 457.569 443.815 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA PRO A 117 519.683 455.286 443.751 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA PRO A 118 517.022 452.746 444.744 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLY A 119 516.339 449.439 442.979 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA LEU A 120 517.700 446.026 443.987 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ARG A 121 521.142 444.870 445.142 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA SER A 122 521.995 441.778 447.197 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA PRO A 123 520.490 438.875 449.154 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA LEU A 124 519.646 438.818 452.868 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA SER A 125 518.570 439.708 456.413 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA PRO A 126 520.241 442.685 458.105 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA VAL A 127 519.051 443.656 461.591 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA LYS A 128 521.349 445.969 463.563 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA PRO A 129 524.282 447.972 464.942 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA LYS A 130 524.273 451.723 464.278 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA GLU A 131 522.313 454.985 464.096 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA CYS A 132 519.786 457.374 462.538 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA LEU A 133 517.444 460.370 462.318 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA ARG A 134 515.823 461.293 458.996 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA GLY A 135 515.042 461.786 455.300 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ALA A 136 517.533 461.480 452.433 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA THR A 137 520.073 462.122 449.667 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA LEU A 138 523.682 462.258 448.456 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA GLY A 139 527.062 462.819 450.124 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA ALA A 140 529.889 463.225 452.645 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA GLN A 141 533.309 463.349 450.970 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA ALA A 142 536.134 463.331 453.527 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA PRO A 143 537.641 465.823 455.984 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA GLU A 144 538.863 468.977 457.736 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA SER A 145 539.172 470.582 461.178 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA ARG A 146 539.321 472.118 464.661 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA GLY A 147 537.691 474.440 467.205 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA GLN A 148 533.960 473.678 467.313 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA GLY A 149 532.007 476.918 467.767 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA HIS A 150 528.890 478.693 469.051 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA LEU A 151 528.233 478.228 472.775 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA ARG A 152 526.938 481.449 474.345 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA VAL A 153 524.226 484.058 473.754 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA PRO A 154 524.570 485.582 470.279 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA PRO A 155 522.457 483.736 467.702 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA ARG A 156 523.926 480.901 465.623 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA VAL A 157 524.424 479.297 462.203 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA PRO A 158 523.322 480.499 458.760 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA GLY A 159 520.140 480.679 456.673 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA GLN A 160 518.723 484.047 455.594 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA PRO A 161 516.878 484.090 452.261 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA GLU A 162 514.290 485.664 449.949 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA GLY A 163 512.282 487.215 447.107 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA PRO A 164 509.438 486.875 444.595 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA ARG A 165 508.217 483.290 444.177 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA GLN A 166 509.952 480.382 442.430 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA PRO A 167 509.302 476.649 442.039 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA GLY A 168 506.349 475.261 440.072 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA ARG A 169 502.736 475.088 441.269 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA PRO A 170 499.401 475.635 439.509 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA GLN A 171 496.620 473.717 437.748 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA ARG A 172 496.655 470.643 435.498 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA PRO A 173 493.952 468.170 434.453 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA VAL A 174 492.389 464.839 435.443 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA PRO A 175 488.999 465.800 436.892 1.00 0.00 C
|
| 178 |
+
ATOM 176 CA ARG A 176 489.605 468.637 439.361 1.00 0.00 C
|
| 179 |
+
ATOM 177 CA PRO A 177 491.555 470.729 441.878 1.00 0.00 C
|
| 180 |
+
ATOM 178 CA PHE A 178 489.940 470.337 445.307 1.00 0.00 C
|
| 181 |
+
ATOM 179 CA PRO A 179 488.289 471.330 448.594 1.00 0.00 C
|
| 182 |
+
ATOM 180 CA GLY A 180 485.013 471.448 450.535 1.00 0.00 C
|
| 183 |
+
ATOM 181 CA LEU A 181 483.906 469.423 453.567 1.00 0.00 C
|
| 184 |
+
ATOM 182 CA GLN A 182 484.065 469.619 457.368 1.00 0.00 C
|
| 185 |
+
ATOM 183 CA SER A 183 486.713 472.259 458.099 1.00 0.00 C
|
| 186 |
+
ATOM 184 CA PRO A 184 489.786 471.484 460.215 1.00 0.00 C
|
| 187 |
+
ATOM 185 CA GLY A 185 492.404 471.200 462.968 1.00 0.00 C
|
| 188 |
+
ATOM 186 CA CYS A 186 494.548 468.070 462.619 1.00 0.00 C
|
| 189 |
+
ATOM 187 CA PRO A 187 497.546 466.215 464.064 1.00 0.00 C
|
| 190 |
+
ATOM 188 CA PRO A 188 499.340 468.027 466.895 1.00 0.00 C
|
| 191 |
+
ATOM 189 CA GLU A 189 498.221 468.609 470.490 1.00 0.00 C
|
| 192 |
+
ATOM 190 CA GLY A 190 495.279 471.027 470.355 1.00 0.00 C
|
| 193 |
+
ATOM 191 CA THR A 191 495.134 472.931 473.652 1.00 0.00 C
|
| 194 |
+
ATOM 192 CA LEU A 192 493.753 470.482 476.223 1.00 0.00 C
|
| 195 |
+
ATOM 193 CA GLY A 193 491.073 468.131 474.879 1.00 0.00 C
|
| 196 |
+
ATOM 194 CA VAL A 194 487.300 467.666 474.626 1.00 0.00 C
|
| 197 |
+
ATOM 195 CA PRO A 195 484.651 465.115 475.621 1.00 0.00 C
|
| 198 |
+
ATOM 196 CA SER A 196 481.009 466.191 475.317 1.00 0.00 C
|
| 199 |
+
ATOM 197 CA PRO A 197 480.129 467.743 471.951 1.00 0.00 C
|
| 200 |
+
ATOM 198 CA PRO A 198 477.928 466.246 469.225 1.00 0.00 C
|
| 201 |
+
ATOM 199 CA LEU A 199 474.160 466.379 469.777 1.00 0.00 C
|
| 202 |
+
ATOM 200 CA GLN A 200 472.241 469.467 470.915 1.00 0.00 C
|
| 203 |
+
ATOM 201 CA ALA A 201 469.672 472.251 470.507 1.00 0.00 C
|
| 204 |
+
ATOM 202 CA ARG A 202 466.002 473.256 470.310 1.00 0.00 C
|
| 205 |
+
ATOM 203 CA ALA A 203 464.680 476.587 469.016 1.00 0.00 C
|
| 206 |
+
ATOM 204 CA SER A 204 462.139 479.301 468.185 1.00 0.00 C
|
| 207 |
+
ATOM 205 CA PRO A 205 460.336 482.633 467.781 1.00 0.00 C
|
| 208 |
+
ATOM 206 CA SER A 206 461.213 485.106 465.019 1.00 0.00 C
|
| 209 |
+
ATOM 207 CA ARG A 207 458.588 486.180 462.475 1.00 0.00 C
|
| 210 |
+
ATOM 208 CA ARG A 208 458.946 484.612 459.021 1.00 0.00 C
|
| 211 |
+
ATOM 209 CA GLY A 209 456.379 483.247 456.559 1.00 0.00 C
|
| 212 |
+
ATOM 210 CA ALA A 210 452.956 482.529 458.072 1.00 0.00 C
|
| 213 |
+
ATOM 211 CA SER A 211 452.663 484.116 461.523 1.00 0.00 C
|
| 214 |
+
ATOM 212 CA LEU A 212 449.589 485.892 462.905 1.00 0.00 C
|
| 215 |
+
ATOM 213 CA GLY A 213 446.806 488.030 464.388 1.00 0.00 C
|
| 216 |
+
ATOM 214 CA PRO A 214 443.712 486.213 465.668 1.00 0.00 C
|
| 217 |
+
ATOM 215 CA GLN A 215 442.247 483.606 463.307 1.00 0.00 C
|
| 218 |
+
ATOM 216 CA VAL A 216 438.844 482.121 462.453 1.00 0.00 C
|
| 219 |
+
ATOM 217 CA GLN A 217 438.659 481.383 458.719 1.00 0.00 C
|
| 220 |
+
ATOM 218 CA PRO A 218 439.036 481.081 454.940 1.00 0.00 C
|
| 221 |
+
ATOM 219 CA HIS A 219 441.592 478.883 453.165 1.00 0.00 C
|
| 222 |
+
ATOM 220 CA ARG A 220 444.775 478.695 451.080 1.00 0.00 C
|
| 223 |
+
ATOM 221 CA ASP A 221 447.184 480.947 449.170 1.00 0.00 C
|
| 224 |
+
ATOM 222 CA PRO A 222 449.417 483.946 449.900 1.00 0.00 C
|
| 225 |
+
ATOM 223 CA SER A 223 451.131 485.710 446.990 1.00 0.00 C
|
| 226 |
+
ATOM 224 CA GLY A 224 450.433 489.436 446.609 1.00 0.00 C
|
| 227 |
+
ATOM 225 CA PRO A 225 452.537 492.185 445.019 1.00 0.00 C
|
| 228 |
+
ATOM 226 CA ASP A 226 451.053 493.052 441.618 1.00 0.00 C
|
| 229 |
+
ATOM 227 CA PRO A 227 451.453 495.196 438.494 1.00 0.00 C
|
| 230 |
+
ATOM 228 CA PRO A 228 449.255 493.968 435.635 1.00 0.00 C
|
| 231 |
+
ATOM 229 CA THR A 229 446.330 495.358 433.628 1.00 0.00 C
|
| 232 |
+
ATOM 230 CA GLY A 230 445.168 498.677 432.162 1.00 0.00 C
|
| 233 |
+
ATOM 231 CA PRO A 231 447.009 501.745 430.851 1.00 0.00 C
|
| 234 |
+
ATOM 232 CA SER A 232 445.593 505.176 429.991 1.00 0.00 C
|
| 235 |
+
ATOM 233 CA LEU A 233 442.823 506.767 432.067 1.00 0.00 C
|
| 236 |
+
ATOM 234 CA CYS A 234 440.408 508.648 434.336 1.00 0.00 C
|
| 237 |
+
ATOM 235 CA PRO A 235 440.217 509.041 438.120 1.00 0.00 C
|
| 238 |
+
ATOM 236 CA PRO A 236 442.345 511.455 440.161 1.00 0.00 C
|
| 239 |
+
ATOM 237 CA ALA A 237 444.980 513.771 441.646 1.00 0.00 C
|
| 240 |
+
ATOM 238 CA PRO A 238 445.587 516.706 443.998 1.00 0.00 C
|
| 241 |
+
ATOM 239 CA LEU A 239 449.240 517.759 443.745 1.00 0.00 C
|
| 242 |
+
ATOM 240 CA GLN A 240 450.753 516.943 447.145 1.00 0.00 C
|
| 243 |
+
ATOM 241 CA PRO A 241 453.676 518.823 448.706 1.00 0.00 C
|
| 244 |
+
ATOM 242 CA SER A 242 456.899 516.791 448.638 1.00 0.00 C
|
| 245 |
+
ATOM 243 CA LEU A 243 459.354 513.878 448.620 1.00 0.00 C
|
| 246 |
+
ATOM 244 CA HIS A 244 461.235 510.613 448.054 1.00 0.00 C
|
| 247 |
+
ATOM 245 CA PRO A 245 459.706 507.550 449.726 1.00 0.00 C
|
| 248 |
+
ATOM 246 CA ARG A 246 459.187 504.942 452.455 1.00 0.00 C
|
| 249 |
+
ATOM 247 CA PRO A 247 455.926 505.945 454.150 1.00 0.00 C
|
| 250 |
+
ATOM 248 CA GLN A 248 455.345 503.480 456.997 1.00 0.00 C
|
| 251 |
+
ATOM 249 CA LEU A 249 454.756 501.666 460.295 1.00 0.00 C
|
| 252 |
+
ATOM 250 CA LEU A 250 450.975 501.401 460.684 1.00 0.00 C
|
| 253 |
+
ATOM 251 CA ALA A 251 449.211 498.455 462.336 1.00 0.00 C
|
| 254 |
+
ATOM 252 CA SER A 252 448.287 495.500 460.116 1.00 0.00 C
|
| 255 |
+
ATOM 253 CA PRO A 253 445.373 494.314 457.967 1.00 0.00 C
|
| 256 |
+
ATOM 254 CA GLY A 254 443.033 497.231 457.233 1.00 0.00 C
|
| 257 |
+
ATOM 255 CA PRO A 255 443.682 500.022 459.745 1.00 0.00 C
|
| 258 |
+
ATOM 256 CA PRO A 256 442.860 499.225 463.379 1.00 0.00 C
|
| 259 |
+
ATOM 257 CA GLY A 257 443.988 502.096 465.615 1.00 0.00 C
|
| 260 |
+
ATOM 258 CA GLN A 258 446.808 504.650 465.805 1.00 0.00 C
|
| 261 |
+
ATOM 259 CA PRO A 259 449.630 507.095 466.566 1.00 0.00 C
|
| 262 |
+
ATOM 260 CA GLU A 260 452.609 506.183 468.759 1.00 0.00 C
|
| 263 |
+
ATOM 261 CA GLY A 261 452.188 503.226 471.125 1.00 0.00 C
|
| 264 |
+
ATOM 262 CA PRO A 262 450.560 500.470 473.191 1.00 0.00 C
|
| 265 |
+
ATOM 263 CA ARG A 263 453.034 497.746 474.178 1.00 0.00 C
|
| 266 |
+
ATOM 264 CA GLN A 264 453.712 496.974 477.847 1.00 0.00 C
|
| 267 |
+
ATOM 265 CA PRO A 265 453.746 499.494 480.704 1.00 0.00 C
|
| 268 |
+
ATOM 266 CA GLY A 266 456.541 501.069 482.760 1.00 0.00 C
|
| 269 |
+
ATOM 267 CA ARG A 267 457.355 501.915 486.384 1.00 0.00 C
|
| 270 |
+
ATOM 268 CA VAL A 268 460.930 502.387 487.614 1.00 0.00 C
|
| 271 |
+
ATOM 269 CA ALA A 269 464.554 503.536 487.365 1.00 0.00 C
|
| 272 |
+
ATOM 270 CA PHE A 270 467.853 502.887 489.158 1.00 0.00 C
|
| 273 |
+
ATOM 271 CA PRO A 271 470.776 504.437 491.048 1.00 0.00 C
|
| 274 |
+
ATOM 272 CA LEU A 272 472.675 505.957 493.980 1.00 0.00 C
|
| 275 |
+
ATOM 273 CA PRO A 273 470.273 507.185 496.670 1.00 0.00 C
|
| 276 |
+
ATOM 274 CA TRP A 274 471.400 510.750 497.408 1.00 0.00 C
|
| 277 |
+
ATOM 275 CA PRO A 275 474.495 512.542 496.096 1.00 0.00 C
|
| 278 |
+
ATOM 276 CA LEU A 276 474.709 515.433 493.624 1.00 0.00 C
|
| 279 |
+
ATOM 277 CA LEU A 277 472.793 516.163 490.412 1.00 0.00 C
|
| 280 |
+
ATOM 278 CA PRO A 278 470.343 518.510 488.678 1.00 0.00 C
|
| 281 |
+
ATOM 279 CA ALA A 279 470.543 521.794 486.757 1.00 0.00 C
|
| 282 |
+
ATOM 280 CA SER A 280 469.315 525.229 487.855 1.00 0.00 C
|
| 283 |
+
ATOM 281 CA HIS A 281 467.478 525.003 491.186 1.00 0.00 C
|
| 284 |
+
ATOM 282 CA PRO A 282 468.510 525.024 494.853 1.00 0.00 C
|
| 285 |
+
ATOM 283 CA SER A 283 470.170 526.644 497.876 1.00 0.00 C
|
| 286 |
+
ATOM 284 CA PRO A 284 473.028 527.539 500.233 1.00 0.00 C
|
| 287 |
+
ATOM 285 CA LEU A 285 476.494 529.119 500.251 1.00 0.00 C
|
| 288 |
+
ATOM 286 CA SER A 286 478.745 531.380 502.335 1.00 0.00 C
|
| 289 |
+
ATOM 287 CA LEU A 287 477.960 531.623 506.055 1.00 0.00 C
|
| 290 |
+
ATOM 288 CA PRO A 288 479.936 529.539 508.559 1.00 0.00 C
|
| 291 |
+
ATOM 289 CA PRO A 289 478.904 525.873 508.643 1.00 0.00 C
|
| 292 |
+
ATOM 290 CA HIS A 290 479.416 522.117 508.261 1.00 0.00 C
|
| 293 |
+
ATOM 291 CA ARG A 291 482.950 520.933 509.051 1.00 0.00 C
|
| 294 |
+
ATOM 292 CA VAL A 292 486.050 523.015 509.809 1.00 0.00 C
|
| 295 |
+
ATOM 293 CA HIS A 293 489.851 523.262 509.868 1.00 0.00 C
|
| 296 |
+
ATOM 294 CA GLN A 294 491.325 526.494 511.244 1.00 0.00 C
|
| 297 |
+
ATOM 295 CA ALA A 295 493.992 526.511 513.965 1.00 0.00 C
|
| 298 |
+
ATOM 296 CA GLY A 296 493.952 528.898 516.934 1.00 0.00 C
|
| 299 |
+
ATOM 297 CA ARG A 297 490.548 528.963 518.646 1.00 0.00 C
|
| 300 |
+
ATOM 298 CA ARG A 298 487.779 526.819 520.146 1.00 0.00 C
|
| 301 |
+
ATOM 299 CA ASP A 299 485.006 524.736 518.570 1.00 0.00 C
|
| 302 |
+
ATOM 300 CA PRO A 300 481.265 525.453 518.652 1.00 0.00 C
|
| 303 |
+
ATOM 301 CA GLY A 301 479.281 528.472 517.444 1.00 0.00 C
|
| 304 |
+
ATOM 302 CA GLY A 302 476.190 528.571 519.669 1.00 0.00 C
|
| 305 |
+
ATOM 303 CA PRO A 303 473.924 525.998 521.331 1.00 0.00 C
|
| 306 |
+
ATOM 304 CA VAL A 304 470.297 525.742 520.193 1.00 0.00 C
|
| 307 |
+
ATOM 305 CA SER A 305 469.804 527.490 516.844 1.00 0.00 C
|
| 308 |
+
ATOM 306 CA VAL A 306 469.640 529.819 513.833 1.00 0.00 C
|
| 309 |
+
ATOM 307 CA PRO A 307 467.841 530.079 510.485 1.00 0.00 C
|
| 310 |
+
ATOM 308 CA PRO A 308 466.587 527.688 507.796 1.00 0.00 C
|
| 311 |
+
ATOM 309 CA ALA A 309 463.114 526.260 508.436 1.00 0.00 C
|
| 312 |
+
ATOM 310 CA ALA A 310 460.263 523.953 509.468 1.00 0.00 C
|
| 313 |
+
ATOM 311 CA ALA A 311 458.206 525.095 512.465 1.00 0.00 C
|
| 314 |
+
ATOM 312 CA GLN A 312 454.519 524.139 512.341 1.00 0.00 C
|
| 315 |
+
ATOM 313 CA SER A 313 451.156 524.016 514.127 1.00 0.00 C
|
| 316 |
+
ATOM 314 CA LEU A 314 447.566 525.013 513.331 1.00 0.00 C
|
| 317 |
+
ATOM 315 CA PRO A 315 443.831 524.291 513.124 1.00 0.00 C
|
| 318 |
+
ATOM 316 CA PRO A 316 442.626 526.244 510.081 1.00 0.00 C
|
| 319 |
+
ATOM 317 CA GLY A 317 439.674 528.302 508.830 1.00 0.00 C
|
| 320 |
+
ATOM 318 CA LYS A 318 436.962 527.509 506.274 1.00 0.00 C
|
| 321 |
+
ATOM 319 CA GLY A 319 436.829 528.267 502.542 1.00 0.00 C
|
| 322 |
+
ATOM 320 CA ALA A 320 437.884 530.618 499.736 1.00 0.00 C
|
| 323 |
+
ATOM 321 CA SER A 321 439.567 534.002 499.256 1.00 0.00 C
|
| 324 |
+
ATOM 322 CA PHE A 322 443.086 535.286 499.951 1.00 0.00 C
|
| 325 |
+
ATOM 323 CA SER A 323 445.052 535.177 503.213 1.00 0.00 C
|
| 326 |
+
ATOM 324 CA PRO A 324 443.222 536.826 506.120 1.00 0.00 C
|
| 327 |
+
ATOM 325 CA PRO A 325 440.030 535.151 507.354 1.00 0.00 C
|
| 328 |
+
ATOM 326 CA SER A 326 437.250 537.756 507.322 1.00 0.00 C
|
| 329 |
+
ATOM 327 CA LEU A 327 433.795 536.776 506.048 1.00 0.00 C
|
| 330 |
+
ATOM 328 CA ARG A 328 430.294 536.271 507.464 1.00 0.00 C
|
| 331 |
+
ATOM 329 CA PRO A 329 430.183 532.581 508.407 1.00 0.00 C
|
| 332 |
+
ATOM 330 CA SER A 330 427.145 530.437 507.572 1.00 0.00 C
|
| 333 |
+
ATOM 331 CA LEU A 331 424.243 530.453 510.041 1.00 0.00 C
|
| 334 |
+
ATOM 332 CA LEU A 332 422.268 529.019 512.966 1.00 0.00 C
|
| 335 |
+
ATOM 333 CA CYS A 333 422.439 529.275 516.764 1.00 0.00 C
|
| 336 |
+
ATOM 334 CA THR A 334 422.197 528.314 520.443 1.00 0.00 C
|
| 337 |
+
ATOM 335 CA VAL A 335 423.542 531.306 522.381 1.00 0.00 C
|
| 338 |
+
ATOM 336 CA CYS A 336 423.698 534.911 523.602 1.00 0.00 C
|
| 339 |
+
ATOM 337 CA LYS A 337 422.213 535.903 526.967 1.00 0.00 C
|
| 340 |
+
ATOM 338 CA VAL A 338 422.792 538.165 529.978 1.00 0.00 C
|
| 341 |
+
ATOM 339 CA GLN A 339 423.762 541.628 528.718 1.00 0.00 C
|
| 342 |
+
ATOM 340 CA PRO A 340 425.462 544.491 530.568 1.00 0.00 C
|
| 343 |
+
ATOM 341 CA PRO A 341 422.895 546.225 532.786 1.00 0.00 C
|
| 344 |
+
ATOM 342 CA THR A 342 419.998 548.379 534.006 1.00 0.00 C
|
| 345 |
+
ATOM 343 CA PRO A 343 417.111 550.845 533.701 1.00 0.00 C
|
| 346 |
+
ATOM 344 CA VAL A 344 417.218 553.628 536.302 1.00 0.00 C
|
| 347 |
+
ATOM 345 CA HIS A 345 418.871 556.896 537.351 1.00 0.00 C
|
| 348 |
+
ATOM 346 CA GLY A 346 418.929 557.532 541.107 1.00 0.00 C
|
| 349 |
+
ATOM 347 CA SER A 347 421.313 557.008 544.034 1.00 0.00 C
|
| 350 |
+
ATOM 348 CA ARG A 348 423.382 558.682 546.760 1.00 0.00 C
|
| 351 |
+
ATOM 349 CA ALA A 349 426.068 556.155 547.714 1.00 0.00 C
|
| 352 |
+
ATOM 350 CA GLN A 350 426.913 552.988 545.773 1.00 0.00 C
|
| 353 |
+
ATOM 351 CA PRO A 351 423.995 551.192 544.107 1.00 0.00 C
|
| 354 |
+
ATOM 352 CA ARG A 352 422.415 548.482 541.945 1.00 0.00 C
|
| 355 |
+
ATOM 353 CA PRO A 353 423.509 545.097 543.307 1.00 0.00 C
|
| 356 |
+
ATOM 354 CA PRO A 354 423.103 541.535 544.597 1.00 0.00 C
|
| 357 |
+
ATOM 355 CA LEU A 355 423.509 537.941 545.794 1.00 0.00 C
|
| 358 |
+
ATOM 356 CA PRO A 356 424.494 534.947 547.935 1.00 0.00 C
|
| 359 |
+
ATOM 357 CA THR A 357 427.721 535.674 549.826 1.00 0.00 C
|
| 360 |
+
ATOM 358 CA VAL A 358 430.387 537.956 551.311 1.00 0.00 C
|
| 361 |
+
ATOM 359 CA ASP A 359 429.429 541.642 551.400 1.00 0.00 C
|
| 362 |
+
ATOM 360 CA ARG A 360 432.030 544.408 551.712 1.00 0.00 C
|
| 363 |
+
ATOM 361 CA PRO A 361 434.631 544.726 548.946 1.00 0.00 C
|
| 364 |
+
ATOM 362 CA SER A 362 435.038 543.822 545.267 1.00 0.00 C
|
| 365 |
+
ATOM 363 CA VAL A 363 434.389 541.952 542.011 1.00 0.00 C
|
| 366 |
+
ATOM 364 CA HIS A 364 433.070 538.421 542.563 1.00 0.00 C
|
| 367 |
+
ATOM 365 CA PRO A 365 432.202 536.119 539.654 1.00 0.00 C
|
| 368 |
+
ATOM 366 CA GLY A 366 428.995 536.772 537.703 1.00 0.00 C
|
| 369 |
+
ATOM 367 CA HIS A 367 426.130 538.803 536.226 1.00 0.00 C
|
| 370 |
+
ATOM 368 CA PRO A 368 422.515 539.470 537.228 1.00 0.00 C
|
| 371 |
+
ATOM 369 CA ARG A 369 419.160 537.836 537.992 1.00 0.00 C
|
| 372 |
+
ATOM 370 CA PRO A 370 415.838 537.615 536.138 1.00 0.00 C
|
| 373 |
+
ATOM 371 CA PRO A 371 414.252 537.127 532.708 1.00 0.00 C
|
| 374 |
+
ATOM 372 CA VAL A 372 415.992 534.041 531.307 1.00 0.00 C
|
| 375 |
+
ATOM 373 CA SER A 373 415.777 534.048 527.503 1.00 0.00 C
|
| 376 |
+
ATOM 374 CA THR A 374 415.073 536.313 524.521 1.00 0.00 C
|
| 377 |
+
ATOM 375 CA PRO A 375 414.590 540.071 524.922 1.00 0.00 C
|
| 378 |
+
ATOM 376 CA VAL A 376 412.973 542.822 522.840 1.00 0.00 C
|
| 379 |
+
ATOM 377 CA PRO A 377 411.818 546.451 522.746 1.00 0.00 C
|
| 380 |
+
ATOM 378 CA SER A 378 408.257 547.803 522.645 1.00 0.00 C
|
| 381 |
+
ATOM 379 CA ARG A 379 404.710 549.183 522.471 1.00 0.00 C
|
| 382 |
+
ATOM 380 CA GLY A 380 401.123 548.548 523.585 1.00 0.00 C
|
| 383 |
+
ATOM 381 CA ASP A 381 399.439 548.015 526.961 1.00 0.00 C
|
| 384 |
+
ATOM 382 CA PHE A 382 395.790 546.968 526.629 1.00 0.00 C
|
| 385 |
+
ATOM 383 CA MET A 383 393.725 544.097 525.213 1.00 0.00 C
|
| 386 |
+
TER 384 MET A 383
|
| 387 |
+
END
|
Viruses/Q04405/Q04405.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:42d335629b43530d894355971e6099e09b847acffb65348d5d3ad957cc916245
|
| 3 |
+
size 6680276
|
Viruses/Q04405/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 CYS A 1 284.561 253.631 207.082 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ASN A 2 282.283 255.439 209.543 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LYS A 3 279.797 257.811 207.898 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA SER A 4 278.828 260.335 210.583 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLU A 5 276.911 259.661 213.805 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA THR A 6 274.207 257.359 215.186 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ASP A 7 275.044 254.415 217.455 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LYS A 8 274.143 252.756 220.765 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA TRP A 9 271.933 249.728 221.444 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 268.913 249.509 223.757 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA LEU A 11 267.097 251.887 226.115 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ALA A 12 263.729 252.236 227.862 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LYS A 13 259.968 252.153 228.466 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 257.479 249.440 229.447 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 255.767 246.399 230.975 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA THR A 16 256.609 244.198 233.968 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA THR A 17 254.476 242.453 236.599 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA THR A 18 251.510 242.220 238.980 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 251.690 245.408 241.059 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 252.216 246.793 244.569 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA THR A 21 254.782 247.026 247.376 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA THR A 22 257.188 249.322 249.235 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA THR A 23 258.728 252.560 250.523 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA THR A 24 258.951 253.026 254.298 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA THR A 25 259.722 253.370 258.013 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLU A 26 258.690 250.515 260.315 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 255.896 247.930 260.485 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 252.535 246.671 261.765 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA THR A 29 251.809 244.087 264.470 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA PRO A 30 249.539 241.260 263.301 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA VAL A 31 246.170 239.928 264.479 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA SER A 32 242.433 239.184 264.429 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 239.633 241.550 265.465 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA LYS A 34 238.077 243.299 268.471 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ILE A 35 236.475 245.921 270.723 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASP A 36 233.251 246.580 272.643 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA MET A 37 229.732 245.135 272.433 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA VAL A 38 226.531 247.185 272.703 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASN A 39 224.369 250.317 272.521 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLU A 40 225.919 253.274 270.685 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA THR A 41 224.406 256.362 272.327 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 224.478 260.168 272.170 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 224.316 261.654 275.675 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA CYS A 44 225.103 258.723 277.979 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ILE A 45 227.067 255.469 278.240 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ALA A 46 225.524 253.049 280.746 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLN A 47 223.175 250.069 281.086 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ASN A 48 220.126 247.858 280.511 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ASN A 49 218.214 244.678 281.374 1.00 0.00 C
|
| 52 |
+
TER 50 ASN A 49
|
| 53 |
+
END
|
Viruses/Q04420/Q04420.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:ca4ba7edcdee8dad8c0e0c1db16c1d7a914eec8ba64c407e71fa494677045bb3
|
| 3 |
+
size 6080276
|
Viruses/Q04420/top.pdb
ADDED
|
@@ -0,0 +1,48 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 CYS A 1 209.311 239.236 232.893 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ASN A 2 210.114 241.876 235.520 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LYS A 3 210.090 244.476 238.305 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA SER A 4 212.945 245.326 240.681 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLU A 5 216.455 245.969 239.347 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA THR A 6 219.226 247.158 241.675 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ASP A 7 221.147 249.267 244.201 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LYS A 8 221.381 250.865 247.652 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA TRP A 9 224.054 253.564 247.951 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 225.170 257.195 248.240 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA LEU A 11 224.292 259.991 250.675 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA THR A 12 225.971 260.968 253.953 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LYS A 13 228.185 259.072 256.407 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 231.897 259.642 257.050 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 235.604 260.388 257.512 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA THR A 16 237.992 263.137 256.392 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA THR A 17 241.781 263.165 256.798 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA THR A 18 242.941 261.899 260.199 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA THR A 19 244.372 260.356 263.375 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA THR A 20 245.172 256.768 262.371 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA THR A 21 245.625 253.832 259.986 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA THR A 22 248.376 254.420 257.416 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA THR A 23 251.039 253.878 254.746 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA THR A 24 253.384 252.129 252.305 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PRO A 25 256.990 252.692 253.398 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA VAL A 26 258.746 249.311 253.454 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 261.482 249.601 250.819 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA LYS A 28 260.438 247.801 247.627 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA PRO A 29 262.562 245.014 246.133 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ILE A 30 264.652 244.238 243.043 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ASP A 31 268.218 245.057 244.106 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA MET A 32 271.677 244.766 245.676 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA VAL A 33 272.116 247.651 248.126 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 273.259 251.268 247.768 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 276.742 252.301 248.919 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASN A 36 279.383 250.032 250.464 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 279.151 246.632 248.761 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA SER A 38 278.398 244.901 245.452 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA CYS A 39 279.630 241.313 245.810 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ILE A 40 282.685 240.327 247.862 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA THR A 41 285.551 241.306 250.174 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA HIS A 42 286.858 239.969 253.493 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ASP A 43 286.426 237.011 255.856 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASN A 44 288.515 234.230 257.411 1.00 0.00 C
|
| 47 |
+
TER 45 ASN A 44
|
| 48 |
+
END
|
Viruses/Q05293/Q05293.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:1e357278d286ec941b659f7f087df3164670a0dc1062544dc2243f54a6013bc9
|
| 3 |
+
size 6200276
|
Viruses/Q05293/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 1 258.949 257.859 271.439 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LYS A 2 260.389 254.686 269.900 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LYS A 3 262.571 252.441 267.727 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA MET A 4 265.354 254.412 266.029 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA SER A 5 267.999 253.856 263.344 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ASP A 6 266.564 251.579 260.648 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 263.068 250.136 260.185 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LEU A 8 260.762 249.407 257.241 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LYS A 9 262.104 249.325 253.677 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 260.943 249.057 250.058 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 260.436 246.243 247.539 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LEU A 12 258.369 243.187 248.492 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLU A 13 260.076 240.209 250.145 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA LEU A 14 262.163 237.576 251.942 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ARG A 15 261.494 235.860 255.277 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LEU A 16 258.498 233.720 256.256 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 254.839 234.225 255.324 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASN A 18 251.680 235.505 253.621 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 250.823 234.842 249.968 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 248.778 237.066 247.646 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLN A 21 245.721 239.232 248.336 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 243.763 241.475 245.958 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA HIS A 23 241.393 241.494 242.975 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ARG A 24 237.905 242.013 244.418 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASN A 25 234.639 243.848 245.113 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ARG A 26 233.368 247.079 243.545 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA LYS A 27 231.502 247.270 240.229 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ARG A 28 229.810 249.546 237.684 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLU A 29 232.132 250.715 234.900 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA MET A 30 234.572 253.190 236.462 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LYS A 31 234.669 255.806 239.230 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 236.693 255.600 242.452 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 238.911 258.095 244.288 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 238.508 261.230 246.416 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA LYS A 35 241.880 262.989 246.195 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLY A 36 245.153 261.969 247.857 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ASN A 37 247.002 259.937 245.217 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ARG A 38 248.331 261.468 241.992 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASN A 39 251.847 262.528 240.976 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ASN A 40 254.307 260.272 242.813 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA TRP A 41 253.699 258.879 246.306 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA LYS A 42 254.025 259.268 250.082 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA LYS A 43 250.694 260.126 251.721 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 247.877 257.733 252.650 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA TYR A 45 245.743 257.046 255.730 1.00 0.00 C
|
| 48 |
+
TER 46 TYR A 45
|
| 49 |
+
END
|
Viruses/Q06E77/Q06E77.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:97269ef2c427049f2708711c478d5e009a80f12e811a3a600fa97ed13f2be839
|
| 3 |
+
size 5480276
|
Viruses/Q06E77/top.pdb
ADDED
|
@@ -0,0 +1,43 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 240.013 242.644 256.386 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ASN A 2 242.062 245.800 255.786 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ASN A 3 241.631 247.859 258.963 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LEU A 4 238.736 246.414 260.974 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA VAL A 5 239.089 243.973 263.878 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ALA A 6 240.496 240.448 263.544 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LYS A 7 241.110 236.698 263.273 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA HIS A 8 244.551 235.068 263.121 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ASN A 9 245.804 235.077 259.523 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PHE A 10 249.341 234.678 258.164 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASN A 11 249.844 237.102 255.267 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 251.555 240.360 256.253 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 251.584 243.350 253.891 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 248.950 246.036 253.290 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA VAL A 15 247.690 249.010 251.269 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA HIS A 16 249.787 250.896 248.707 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LYS A 17 249.233 252.943 245.542 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASP A 18 245.888 254.767 245.623 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA LYS A 19 243.093 256.759 247.277 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA LYS A 20 240.756 258.487 244.813 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LYS A 21 240.679 261.068 242.011 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ALA A 22 242.236 264.542 242.160 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA PHE A 23 244.846 266.564 244.062 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LYS A 24 247.919 264.359 244.516 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLU A 25 251.583 263.314 244.543 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA SER A 26 253.463 263.408 241.231 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASN A 27 253.128 260.873 238.407 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ARG A 28 256.543 259.288 237.820 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LYS A 29 257.518 255.650 238.392 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLN A 30 259.805 252.685 239.095 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LYS A 31 259.943 248.883 238.881 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA HIS A 32 259.679 245.873 241.201 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA LYS A 33 258.133 245.664 244.677 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 258.802 248.113 247.518 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA LYS A 35 255.892 248.030 249.976 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA VAL A 36 256.778 250.376 252.844 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA TYR A 37 260.586 250.498 252.845 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASP A 38 264.330 250.816 253.473 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA TYR A 39 266.925 251.625 250.803 1.00 0.00 C
|
| 42 |
+
TER 40 TYR A 39
|
| 43 |
+
END
|
Viruses/Q06IZ2/Q06IZ2.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:d56ee9be604efaf342ad6910823016f1d9eda14e98482ea93df8e9d73f27d67a
|
| 3 |
+
size 4640276
|
Viruses/Q06IZ2/top.pdb
ADDED
|
@@ -0,0 +1,36 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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 1 259.719 252.410 258.820 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LYS A 2 256.903 251.540 256.406 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LEU A 3 253.530 249.847 255.886 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 251.037 249.378 253.044 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA LEU A 5 252.355 249.157 249.476 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LYS A 6 253.458 250.053 245.940 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA THR A 7 255.757 253.068 245.574 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ASN A 8 259.557 252.803 245.670 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLY A 9 262.475 251.363 247.652 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA THR A 10 263.822 247.844 248.215 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA LEU A 11 261.154 245.557 249.686 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 258.378 244.765 247.199 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLN A 13 258.078 241.021 246.560 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLU A 14 255.090 239.669 244.620 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 251.352 239.854 245.333 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 247.556 239.924 245.021 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASP A 17 246.239 238.773 248.406 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LYS A 18 244.126 241.608 249.825 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 241.002 241.698 247.646 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ASP A 20 238.416 244.433 248.234 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ASN A 21 237.562 247.289 245.861 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ARG A 22 239.025 250.807 245.803 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 239.754 254.546 245.807 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA VAL A 24 238.621 256.611 248.802 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 240.445 255.184 251.828 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 243.384 252.760 251.803 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 246.697 253.856 250.275 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 249.213 256.255 251.834 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA SER A 29 249.357 259.959 252.718 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA PRO A 30 250.274 261.673 255.994 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ALA A 31 249.591 262.532 259.643 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ASN A 32 246.070 263.765 260.418 1.00 0.00 C
|
| 35 |
+
TER 33 ASN A 32
|
| 36 |
+
END
|
Viruses/Q08IT9/Q08IT9.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:2b5f0ab72fd53923feafc362e70409358659e44994423ae624be1524bba82f78
|
| 3 |
+
size 4640276
|