Datasets:
Add 300 K MPIPI-Recharged trajectories (Plants), files 13201-13800 of 20564
Browse filesThis view is limited to 50 files because it contains too many changes. See raw diff
- .gitattributes +300 -0
- Plants/Q5N9G4/Q5N9G4.dcd +3 -0
- Plants/Q5N9G4/top.pdb +57 -0
- Plants/Q5N9I5/Q5N9I5.dcd +3 -0
- Plants/Q5N9I5/top.pdb +87 -0
- Plants/Q5N9L0/Q5N9L0.dcd +3 -0
- Plants/Q5N9L0/top.pdb +88 -0
- Plants/Q5N9Q1/Q5N9Q1.dcd +3 -0
- Plants/Q5N9Q1/top.pdb +149 -0
- Plants/Q5NA27/Q5NA27.dcd +3 -0
- Plants/Q5NA27/top.pdb +211 -0
- Plants/Q5NA69/Q5NA69.dcd +3 -0
- Plants/Q5NA69/top.pdb +73 -0
- Plants/Q5NAB5/Q5NAB5.dcd +3 -0
- Plants/Q5NAB5/top.pdb +56 -0
- Plants/Q5NAP7/Q5NAP7.dcd +3 -0
- Plants/Q5NAP7/top.pdb +197 -0
- Plants/Q5NAT2/Q5NAT2.dcd +3 -0
- Plants/Q5NAT2/top.pdb +84 -0
- Plants/Q5NB00/Q5NB00.dcd +3 -0
- Plants/Q5NB00/top.pdb +65 -0
- Plants/Q5NBE0/Q5NBE0.dcd +3 -0
- Plants/Q5NBE0/top.pdb +63 -0
- Plants/Q5NBN0/Q5NBN0.dcd +3 -0
- Plants/Q5NBN0/top.pdb +83 -0
- Plants/Q5NKG4/Q5NKG4.dcd +3 -0
- Plants/Q5NKG4/top.pdb +164 -0
- Plants/Q5NKI5/Q5NKI5.dcd +3 -0
- Plants/Q5NKI5/top.pdb +60 -0
- Plants/Q5Q032/Q5Q032.dcd +3 -0
- Plants/Q5Q032/top.pdb +173 -0
- Plants/Q5QET7/Q5QET7.dcd +3 -0
- Plants/Q5QET7/top.pdb +45 -0
- Plants/Q5QET9/Q5QET9.dcd +3 -0
- Plants/Q5QET9/top.pdb +39 -0
- Plants/Q5QIC0/Q5QIC0.dcd +3 -0
- Plants/Q5QIC0/top.pdb +206 -0
- Plants/Q5QL96/Q5QL96.dcd +3 -0
- Plants/Q5QL96/top.pdb +58 -0
- Plants/Q5QL97/Q5QL97.dcd +3 -0
- Plants/Q5QL97/top.pdb +56 -0
- Plants/Q5QLL1/Q5QLL1.dcd +3 -0
- Plants/Q5QLL1/top.pdb +165 -0
- Plants/Q5QLN2/Q5QLN2.dcd +3 -0
- Plants/Q5QLN2/top.pdb +87 -0
- Plants/Q5QLP8/Q5QLP8.dcd +3 -0
- Plants/Q5QLP8/top.pdb +112 -0
- Plants/Q5QLW4/Q5QLW4.dcd +3 -0
- Plants/Q5QLW4/top.pdb +142 -0
- Plants/Q5QLY8/Q5QLY8.dcd +3 -0
.gitattributes
CHANGED
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@@ -6658,3 +6658,303 @@ Plants/Q5N8J7/Q5N8J7.dcd filter=lfs diff=lfs merge=lfs -text
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| 6658 |
Plants/Q5N964/Q5N964.dcd filter=lfs diff=lfs merge=lfs -text
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| 6659 |
Plants/Q5N9D5/Q5N9D5.dcd filter=lfs diff=lfs merge=lfs -text
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| 6660 |
Plants/Q5N9F9/Q5N9F9.dcd filter=lfs diff=lfs merge=lfs -text
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| 6658 |
Plants/Q5N964/Q5N964.dcd filter=lfs diff=lfs merge=lfs -text
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| 6659 |
Plants/Q5N9D5/Q5N9D5.dcd filter=lfs diff=lfs merge=lfs -text
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| 6660 |
Plants/Q5N9F9/Q5N9F9.dcd filter=lfs diff=lfs merge=lfs -text
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| 6661 |
+
Plants/Q5N9G4/Q5N9G4.dcd filter=lfs diff=lfs merge=lfs -text
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| 6662 |
+
Plants/Q5N9I5/Q5N9I5.dcd filter=lfs diff=lfs merge=lfs -text
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| 6663 |
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Plants/Q5N9L0/Q5N9L0.dcd filter=lfs diff=lfs merge=lfs -text
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| 6664 |
+
Plants/Q5N9Q1/Q5N9Q1.dcd filter=lfs diff=lfs merge=lfs -text
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| 6665 |
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Plants/Q5NA27/Q5NA27.dcd filter=lfs diff=lfs merge=lfs -text
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| 6666 |
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Plants/Q5NA69/Q5NA69.dcd filter=lfs diff=lfs merge=lfs -text
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| 6667 |
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Plants/Q5NAB5/Q5NAB5.dcd filter=lfs diff=lfs merge=lfs -text
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| 6668 |
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Plants/Q5NAP7/Q5NAP7.dcd filter=lfs diff=lfs merge=lfs -text
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| 6669 |
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Plants/Q5NAT2/Q5NAT2.dcd filter=lfs diff=lfs merge=lfs -text
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| 6670 |
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Plants/Q5NB00/Q5NB00.dcd filter=lfs diff=lfs merge=lfs -text
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| 6671 |
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Plants/Q5NBE0/Q5NBE0.dcd filter=lfs diff=lfs merge=lfs -text
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| 6672 |
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Plants/Q5NBN0/Q5NBN0.dcd filter=lfs diff=lfs merge=lfs -text
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| 6673 |
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Plants/Q5NKG4/Q5NKG4.dcd filter=lfs diff=lfs merge=lfs -text
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| 6674 |
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Plants/Q5NKI5/Q5NKI5.dcd filter=lfs diff=lfs merge=lfs -text
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| 6675 |
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Plants/Q5Q032/Q5Q032.dcd filter=lfs diff=lfs merge=lfs -text
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| 6676 |
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Plants/Q5QET7/Q5QET7.dcd filter=lfs diff=lfs merge=lfs -text
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| 6677 |
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Plants/Q5QET9/Q5QET9.dcd filter=lfs diff=lfs merge=lfs -text
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| 6678 |
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Plants/Q5QIC0/Q5QIC0.dcd filter=lfs diff=lfs merge=lfs -text
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| 6679 |
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Plants/Q5QL96/Q5QL96.dcd filter=lfs diff=lfs merge=lfs -text
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| 6680 |
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Plants/Q5QL97/Q5QL97.dcd filter=lfs diff=lfs merge=lfs -text
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| 6681 |
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Plants/Q5QLL1/Q5QLL1.dcd filter=lfs diff=lfs merge=lfs -text
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| 6682 |
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Plants/Q5QLN2/Q5QLN2.dcd filter=lfs diff=lfs merge=lfs -text
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| 6683 |
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Plants/Q5QLP8/Q5QLP8.dcd filter=lfs diff=lfs merge=lfs -text
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| 6684 |
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Plants/Q5QLW4/Q5QLW4.dcd filter=lfs diff=lfs merge=lfs -text
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| 6685 |
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Plants/Q5QLY8/Q5QLY8.dcd filter=lfs diff=lfs merge=lfs -text
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| 6686 |
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Plants/Q5QM21/Q5QM21.dcd filter=lfs diff=lfs merge=lfs -text
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| 6687 |
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Plants/Q5QM32/Q5QM32.dcd filter=lfs diff=lfs merge=lfs -text
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| 6688 |
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Plants/Q5QM68/Q5QM68.dcd filter=lfs diff=lfs merge=lfs -text
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| 6689 |
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Plants/Q5QM77/Q5QM77.dcd filter=lfs diff=lfs merge=lfs -text
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| 6690 |
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Plants/Q5QM80/Q5QM80.dcd filter=lfs diff=lfs merge=lfs -text
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| 6691 |
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Plants/Q5QMA2/Q5QMA2.dcd filter=lfs diff=lfs merge=lfs -text
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| 6692 |
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Plants/Q5QME4/Q5QME4.dcd filter=lfs diff=lfs merge=lfs -text
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| 6693 |
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Plants/Q5QML0/Q5QML0.dcd filter=lfs diff=lfs merge=lfs -text
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| 6694 |
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Plants/Q5QMQ9/Q5QMQ9.dcd filter=lfs diff=lfs merge=lfs -text
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| 6695 |
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Plants/Q5QMT3/Q5QMT3.dcd filter=lfs diff=lfs merge=lfs -text
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| 6696 |
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Plants/Q5QMW1/Q5QMW1.dcd filter=lfs diff=lfs merge=lfs -text
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| 6697 |
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Plants/Q5QMW5/Q5QMW5.dcd filter=lfs diff=lfs merge=lfs -text
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| 6698 |
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Plants/Q5QN34/Q5QN34.dcd filter=lfs diff=lfs merge=lfs -text
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| 6699 |
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Plants/Q5QN99/Q5QN99.dcd filter=lfs diff=lfs merge=lfs -text
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| 6700 |
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Plants/Q5SGK0/Q5SGK0.dcd filter=lfs diff=lfs merge=lfs -text
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| 6701 |
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Plants/Q5SGK1/Q5SGK1.dcd filter=lfs diff=lfs merge=lfs -text
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| 6702 |
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Plants/Q5SMJ4/Q5SMJ4.dcd filter=lfs diff=lfs merge=lfs -text
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| 6703 |
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Plants/Q5SMR0/Q5SMR0.dcd filter=lfs diff=lfs merge=lfs -text
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| 6704 |
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Plants/Q5SMR7/Q5SMR7.dcd filter=lfs diff=lfs merge=lfs -text
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| 6705 |
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Plants/Q5SMX3/Q5SMX3.dcd filter=lfs diff=lfs merge=lfs -text
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| 6706 |
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Plants/Q5SMZ6/Q5SMZ6.dcd filter=lfs diff=lfs merge=lfs -text
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| 6707 |
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Plants/Q5SN42/Q5SN42.dcd filter=lfs diff=lfs merge=lfs -text
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| 6708 |
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Plants/Q5SN58/Q5SN58.dcd filter=lfs diff=lfs merge=lfs -text
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| 6709 |
+
Plants/Q5SN66/Q5SN66.dcd filter=lfs diff=lfs merge=lfs -text
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| 6710 |
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Plants/Q5SNG9/Q5SNG9.dcd filter=lfs diff=lfs merge=lfs -text
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| 6711 |
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Plants/Q5SNM4/Q5SNM4.dcd filter=lfs diff=lfs merge=lfs -text
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| 6712 |
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Plants/Q5TIK5/Q5TIK5.dcd filter=lfs diff=lfs merge=lfs -text
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| 6713 |
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Plants/Q5U7K5/Q5U7K5.dcd filter=lfs diff=lfs merge=lfs -text
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| 6714 |
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Plants/Q5UVI1/Q5UVI1.dcd filter=lfs diff=lfs merge=lfs -text
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| 6715 |
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Plants/Q5UVI2/Q5UVI2.dcd filter=lfs diff=lfs merge=lfs -text
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| 6716 |
+
Plants/Q5VM67/Q5VM67.dcd filter=lfs diff=lfs merge=lfs -text
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| 6717 |
+
Plants/Q5VM80/Q5VM80.dcd filter=lfs diff=lfs merge=lfs -text
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| 6718 |
+
Plants/Q5VM99/Q5VM99.dcd filter=lfs diff=lfs merge=lfs -text
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| 6719 |
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Plants/Q5VME7/Q5VME7.dcd filter=lfs diff=lfs merge=lfs -text
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| 6720 |
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Plants/Q5VMG2/Q5VMG2.dcd filter=lfs diff=lfs merge=lfs -text
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| 6721 |
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Plants/Q5VMG5/Q5VMG5.dcd filter=lfs diff=lfs merge=lfs -text
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| 6722 |
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Plants/Q5VMI2/Q5VMI2.dcd filter=lfs diff=lfs merge=lfs -text
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| 6723 |
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Plants/Q5VMK6/Q5VMK6.dcd filter=lfs diff=lfs merge=lfs -text
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| 6724 |
+
Plants/Q5VML0/Q5VML0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6725 |
+
Plants/Q5VMQ3/Q5VMQ3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6726 |
+
Plants/Q5VMQ8/Q5VMQ8.dcd filter=lfs diff=lfs merge=lfs -text
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| 6727 |
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Plants/Q5VMS8/Q5VMS8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6728 |
+
Plants/Q5VMT6/Q5VMT6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6729 |
+
Plants/Q5VMU8/Q5VMU8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6730 |
+
Plants/Q5VMV0/Q5VMV0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6731 |
+
Plants/Q5VMX6/Q5VMX6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6732 |
+
Plants/Q5VMZ1/Q5VMZ1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6733 |
+
Plants/Q5VN23/Q5VN23.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6734 |
+
Plants/Q5VN25/Q5VN25.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6735 |
+
Plants/Q5VNF1/Q5VNF1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6736 |
+
Plants/Q5VNH8/Q5VNH8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6737 |
+
Plants/Q5VNI0/Q5VNI0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6738 |
+
Plants/Q5VNI8/Q5VNI8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6739 |
+
Plants/Q5VNK8/Q5VNK8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6740 |
+
Plants/Q5VNL4/Q5VNL4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6741 |
+
Plants/Q5VNM9/Q5VNM9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6742 |
+
Plants/Q5VNN8/Q5VNN8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6743 |
+
Plants/Q5VNW4/Q5VNW4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6744 |
+
Plants/Q5VNX2/Q5VNX2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6745 |
+
Plants/Q5VP16/Q5VP16.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6746 |
+
Plants/Q5VP36/Q5VP36.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6747 |
+
Plants/Q5VP74/Q5VP74.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6748 |
+
Plants/Q5VPC1/Q5VPC1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6749 |
+
Plants/Q5VPD4/Q5VPD4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6750 |
+
Plants/Q5VPE7/Q5VPE7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6751 |
+
Plants/Q5VPH0/Q5VPH0.dcd filter=lfs diff=lfs merge=lfs -text
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| 6931 |
+
Plants/Q60DQ9/Q60DQ9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6932 |
+
Plants/Q60DR3/Q60DR3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6933 |
+
Plants/Q60EA7/Q60EA7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6934 |
+
Plants/Q60EN0/Q60EN0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6935 |
+
Plants/Q60ES4/Q60ES4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6936 |
+
Plants/Q60ES6/Q60ES6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6937 |
+
Plants/Q60F41/Q60F41.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6938 |
+
Plants/Q650Z0/Q650Z0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6939 |
+
Plants/Q651G7/Q651G7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6940 |
+
Plants/Q651G8/Q651G8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6941 |
+
Plants/Q651H3/Q651H3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6942 |
+
Plants/Q651K4/Q651K4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6943 |
+
Plants/Q651L6/Q651L6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6944 |
+
Plants/Q651V1/Q651V1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6945 |
+
Plants/Q652F7/Q652F7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6946 |
+
Plants/Q652I0/Q652I0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6947 |
+
Plants/Q652I2/Q652I2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6948 |
+
Plants/Q652K0/Q652K0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6949 |
+
Plants/Q652S9/Q652S9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6950 |
+
Plants/Q652T0/Q652T0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6951 |
+
Plants/Q652T8/Q652T8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6952 |
+
Plants/Q652X7/Q652X7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6953 |
+
Plants/Q652Y2/Q652Y2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6954 |
+
Plants/Q652Z0/Q652Z0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6955 |
+
Plants/Q653A2/Q653A2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6956 |
+
Plants/Q653G0/Q653G0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6957 |
+
Plants/Q653N2/Q653N2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6958 |
+
Plants/Q653P8/Q653P8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6959 |
+
Plants/Q653Q0/Q653Q0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 6960 |
+
Plants/Q653R7/Q653R7.dcd filter=lfs diff=lfs merge=lfs -text
|
Plants/Q5N9G4/Q5N9G4.dcd
ADDED
|
@@ -0,0 +1,3 @@
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|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:0a3bb0470ed82b70c8a7c1bbf8c3a9573d701d17c84bd63d63ac88e2a4545cc4
|
| 3 |
+
size 7160276
|
Plants/Q5N9G4/top.pdb
ADDED
|
@@ -0,0 +1,57 @@
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|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 238.607 228.726 233.234 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LEU A 2 236.433 231.786 232.577 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ALA A 3 235.828 235.074 234.404 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LYS A 4 232.486 236.386 233.127 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ALA A 5 232.528 240.195 233.061 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LYS A 6 233.085 243.471 231.197 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA PRO A 7 234.826 244.068 227.861 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LYS A 8 235.154 247.853 227.582 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLY A 9 238.809 248.926 227.498 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA LYS A 10 242.614 249.116 227.576 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 246.225 247.905 227.478 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 249.991 248.475 227.427 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLU A 13 252.921 247.450 229.636 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA MET A 14 256.637 248.161 229.185 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 258.148 247.623 232.641 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 261.055 250.028 233.176 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA CYS A 17 262.769 253.370 233.810 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LYS A 18 263.178 256.873 235.251 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLU A 19 260.529 259.611 235.203 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 258.416 259.068 238.326 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LYS A 21 257.333 256.149 240.523 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 254.541 255.770 243.088 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA SER A 23 254.513 252.711 245.359 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ALA A 24 257.955 251.124 245.747 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 261.121 253.143 245.102 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 261.872 256.394 246.942 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA LYS A 27 262.412 256.754 250.696 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 259.203 258.094 252.253 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 258.787 261.842 252.794 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA SER A 30 256.638 264.966 253.164 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA PHE A 31 252.942 265.346 254.006 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA VAL A 32 249.466 264.661 255.408 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA TRP A 33 247.525 264.587 258.685 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PRO A 34 245.316 265.713 261.578 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA LEU A 35 243.662 263.849 264.461 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA CYS A 36 241.935 260.608 265.473 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 244.152 257.525 265.172 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASP A 38 247.110 257.642 267.570 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLN A 39 250.462 255.840 267.384 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 253.241 253.693 265.906 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA THR A 41 251.786 250.502 264.416 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 249.737 247.456 265.435 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ASP A 43 247.333 247.230 268.382 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLY A 44 246.914 244.426 270.927 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA HIS A 45 244.230 242.049 272.216 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA HIS A 46 244.873 240.514 275.643 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ALA A 47 246.328 237.367 277.223 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ALA A 48 248.555 235.154 275.064 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ILE A 49 251.362 237.064 273.336 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LYS A 50 253.468 239.998 272.121 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA LYS A 51 256.388 240.980 269.880 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA LYS A 52 259.650 242.406 268.521 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA VAL A 53 258.949 244.276 265.276 1.00 0.00 C
|
| 56 |
+
TER 54 VAL A 53
|
| 57 |
+
END
|
Plants/Q5N9I5/Q5N9I5.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:76309a7963a015dbc4f8644027838e63e8007c6fc9ce29be09ced20cea7d5f9a
|
| 3 |
+
size 10760276
|
Plants/Q5N9I5/top.pdb
ADDED
|
@@ -0,0 +1,87 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 245.152 236.242 251.923 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 243.120 238.433 254.286 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 242.776 238.762 258.066 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 240.110 241.251 259.168 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 239.294 244.951 258.766 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 240.468 248.180 257.120 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA HIS A 7 243.963 249.505 257.860 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ALA A 8 245.966 248.615 260.977 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 248.211 246.783 263.450 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA SER A 10 249.692 243.944 265.514 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 253.076 242.531 266.548 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ALA A 12 254.849 244.619 269.198 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA VAL A 13 258.197 245.365 270.855 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA THR A 14 260.145 248.623 270.530 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 260.298 252.428 270.653 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 259.098 255.392 272.724 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 261.653 256.407 275.362 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLY A 18 264.983 254.558 275.283 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ASP A 19 266.743 251.531 273.782 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 267.955 250.224 270.414 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLY A 21 268.407 251.026 266.717 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 271.390 249.833 264.670 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 271.908 246.157 263.810 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ARG A 24 271.253 244.251 260.576 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLU A 25 268.351 241.790 260.371 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 267.064 240.839 256.913 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 265.019 238.573 254.633 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLY A 28 265.472 237.103 251.147 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 262.400 237.894 249.037 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 262.729 241.104 247.010 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 260.538 241.370 243.905 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 258.628 241.123 240.617 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 256.083 243.756 239.564 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 257.312 245.151 236.238 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 259.995 247.805 236.760 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA THR A 36 261.156 251.073 238.339 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 261.388 251.659 242.096 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 263.403 251.471 245.325 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 262.693 252.407 248.949 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ARG A 40 260.330 253.383 251.774 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLN A 41 256.690 254.361 252.332 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ARG A 42 253.545 256.142 253.538 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 250.266 256.154 255.477 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA TRP A 44 246.458 256.284 255.453 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLU A 45 243.925 255.538 252.707 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ARG A 46 240.723 253.567 253.324 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLU A 47 237.413 252.935 251.546 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLU A 48 235.491 251.359 248.658 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ARG A 49 237.383 248.580 246.866 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LYS A 50 239.198 246.033 244.689 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLU A 51 238.310 245.202 241.079 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLU A 52 235.867 242.288 241.306 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ARG A 53 232.192 243.295 241.283 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLY A 54 231.141 246.643 242.766 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PHE A 55 231.615 246.731 246.545 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA LEU A 56 231.539 243.759 248.928 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA THR A 57 233.888 240.760 248.841 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLY A 58 236.447 238.622 246.999 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLU A 59 239.723 238.373 245.071 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA HIS A 60 243.485 238.480 245.666 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ASP A 61 244.625 242.108 245.434 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLY A 62 247.755 244.185 246.071 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ARG A 63 249.854 245.826 243.348 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ARG A 64 247.829 247.571 240.633 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLU A 65 244.993 250.064 241.146 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLY A 66 243.073 250.358 237.868 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ARG A 67 239.828 252.348 237.695 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA LYS A 68 237.220 255.051 238.333 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ARG A 69 236.403 257.704 240.942 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ARG A 70 236.090 261.466 240.428 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ARG A 71 238.141 263.471 237.920 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ARG A 72 241.647 262.318 236.972 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA PRO A 73 243.881 259.290 237.567 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 247.299 257.613 237.418 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA MET A 75 250.291 259.455 235.945 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA LEU A 76 251.382 259.228 232.302 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ARG A 77 250.990 262.713 230.812 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLU A 78 249.488 265.325 233.144 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA SER A 79 247.198 268.362 233.354 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ASP A 80 245.883 271.432 235.187 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA HIS A 81 246.980 273.032 238.466 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLY A 82 247.460 271.267 241.808 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLY A 83 245.127 268.598 243.206 1.00 0.00 C
|
| 86 |
+
TER 84 GLY A 83
|
| 87 |
+
END
|
Plants/Q5N9L0/Q5N9L0.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:2d92248ef8ad73d14a285f597b42f8013e17fabb9a123d6a68c9382955f5cab7
|
| 3 |
+
size 10880276
|
Plants/Q5N9L0/top.pdb
ADDED
|
@@ -0,0 +1,88 @@
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
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|
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|
|
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|
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|
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|
|
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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 256.445 273.555 264.108 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PRO A 2 256.776 274.567 260.449 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ASP A 3 254.315 272.615 258.294 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PRO A 4 250.748 273.077 259.552 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA LEU A 5 247.122 274.044 258.891 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA PRO A 6 244.055 273.019 260.905 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA PRO A 7 240.254 273.276 260.882 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 238.160 271.651 263.619 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PRO A 9 236.875 268.065 263.557 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA HIS A 10 237.285 265.334 266.182 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 233.819 263.869 266.780 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ALA A 12 230.901 266.042 265.647 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 229.302 269.244 264.341 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ASP A 14 230.620 272.359 266.094 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA CYS A 15 229.349 275.511 264.373 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LEU A 16 227.377 276.589 261.296 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 228.268 274.089 258.563 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LYS A 18 230.821 275.070 255.911 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA PRO A 19 234.427 273.929 255.453 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 237.844 274.163 253.783 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA THR A 21 239.210 277.419 252.351 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA THR A 22 240.143 280.713 254.023 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 243.265 282.616 252.952 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA CYS A 24 245.140 282.411 249.642 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PRO A 25 247.714 279.601 249.640 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 246.055 276.292 250.541 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA THR A 27 247.883 273.605 252.530 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASN A 28 248.714 269.887 252.593 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ILE A 29 249.812 268.450 249.240 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA SER A 30 250.534 268.150 245.511 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA PRO A 31 253.288 265.563 245.025 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA PRO A 32 252.575 261.964 246.051 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 255.540 259.613 246.495 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 258.961 261.254 246.838 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA SER A 35 261.657 260.592 244.228 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASN A 36 260.892 258.555 241.101 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA THR A 37 258.309 260.561 239.146 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA THR A 38 257.596 264.242 239.823 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ALA A 39 254.050 264.847 238.566 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA PRO A 40 250.695 266.569 239.109 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ALA A 41 247.588 264.458 239.744 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 246.191 261.250 241.252 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA LEU A 43 247.311 257.609 241.207 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA PRO A 44 247.094 254.493 239.024 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ALA A 45 247.900 252.570 235.835 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA PRO A 46 246.310 249.283 234.747 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA HIS A 47 244.577 246.809 232.425 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 244.113 243.176 233.474 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA PRO A 49 245.528 239.642 233.646 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA PRO A 50 247.672 238.147 236.418 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ASP A 51 246.277 236.617 239.616 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA PRO A 52 247.353 233.387 241.326 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA PRO A 53 245.372 231.992 244.266 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA PRO A 54 242.825 233.377 246.739 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA THR A 55 243.264 236.276 249.170 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA VAL A 56 245.547 238.880 250.760 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLY A 57 249.155 238.244 251.805 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA LEU A 58 249.868 235.351 254.180 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA SER A 59 253.491 234.406 254.885 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA SER A 60 257.268 233.947 254.683 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA PRO A 61 258.892 232.837 257.946 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 259.596 229.634 259.885 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 262.669 227.761 258.633 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ILE A 64 262.250 226.526 255.053 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA SER A 65 259.676 226.632 252.246 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ILE A 66 258.837 225.682 248.653 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLU A 67 260.932 225.668 245.470 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA PRO A 68 263.635 223.729 243.613 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ALA A 69 266.206 224.134 240.830 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ASN A 70 269.897 223.232 240.551 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA SER A 71 270.260 220.046 242.607 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 268.591 217.242 244.574 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA PRO A 73 269.593 213.924 246.157 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA SER A 74 269.729 214.015 249.964 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA SER A 75 266.302 215.340 250.973 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA SER A 76 262.691 214.187 251.358 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA PRO A 77 259.367 215.822 250.464 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA SER A 78 257.773 213.808 247.651 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA HIS A 79 254.174 214.725 246.802 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA PRO A 80 251.705 216.169 249.319 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA THR A 81 250.095 219.226 250.927 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA PRO A 82 250.628 222.874 249.965 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLY A 83 252.519 225.254 247.668 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA HIS A 84 252.487 228.645 249.404 1.00 0.00 C
|
| 87 |
+
TER 85 HIS A 84
|
| 88 |
+
END
|
Plants/Q5N9Q1/Q5N9Q1.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:727beb88ec4a2005b0a16625e3d96e5ebbeb0be85e09962dce42490e7548036d
|
| 3 |
+
size 18200276
|
Plants/Q5N9Q1/top.pdb
ADDED
|
@@ -0,0 +1,149 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 161.051 250.522 255.923 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 162.437 253.628 254.205 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ALA A 3 165.367 254.819 252.081 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA CYS A 4 168.816 255.532 253.536 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 171.406 252.750 253.271 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA CYS A 6 172.761 249.899 255.405 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLY A 7 171.330 246.743 256.989 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA HIS A 8 172.799 243.549 255.522 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA HIS A 9 172.304 239.947 254.382 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 173.752 237.379 256.795 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLU A 11 173.035 238.312 260.419 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ILE A 12 173.604 241.233 262.798 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASP A 13 177.162 242.587 262.633 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 178.759 244.599 259.820 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA THR A 15 182.294 245.853 259.155 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA THR A 16 184.617 242.842 258.922 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 187.389 240.344 258.152 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 190.743 242.103 258.566 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 192.862 245.085 257.501 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 193.347 247.230 260.612 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 190.078 247.516 262.550 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA CYS A 22 189.043 251.183 262.585 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 190.764 254.115 264.304 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ARG A 24 193.040 257.161 264.554 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 192.288 260.787 263.661 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA SER A 26 195.481 262.526 262.522 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 196.980 265.845 261.402 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA MET A 28 195.141 269.180 261.317 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ALA A 29 194.074 270.255 264.813 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ALA A 30 192.053 270.394 268.040 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 193.876 268.985 271.075 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 197.241 267.200 271.005 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA CYS A 33 199.921 269.440 269.483 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 199.560 273.205 269.941 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 197.662 275.995 268.172 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 198.148 279.312 266.362 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 201.441 280.059 264.595 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ARG A 38 205.083 279.741 263.524 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 208.404 281.378 262.624 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ARG A 40 210.561 278.639 261.086 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ARG A 41 212.682 279.264 257.984 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA TYR A 42 216.321 279.729 259.012 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ALA A 43 217.925 278.011 262.009 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ARG A 44 221.724 278.050 262.304 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA THR A 45 224.029 275.101 263.014 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA THR A 46 225.883 274.872 266.335 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA SER A 47 228.660 272.264 266.361 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA PRO A 48 228.463 269.684 263.565 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 230.501 269.236 260.377 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA SER A 50 230.547 271.507 257.318 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA LEU A 51 229.986 272.609 253.714 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA MET A 52 229.251 270.076 250.964 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA SER A 53 232.419 268.711 249.347 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA PRO A 54 232.544 266.895 246.000 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PRO A 55 235.509 264.547 245.537 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA MET A 56 236.391 260.958 246.462 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA LYS A 57 239.148 258.767 247.915 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 240.365 255.400 246.612 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA SER A 59 243.421 253.291 245.757 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ALA A 60 245.949 254.177 243.047 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA PRO A 61 247.310 252.423 239.951 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA LEU A 62 247.915 248.694 239.460 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA THR A 63 246.082 245.407 238.867 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA SER A 64 247.224 242.393 240.898 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA SER A 65 246.128 241.764 244.492 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA HIS A 66 246.321 241.919 248.294 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 248.429 244.879 249.440 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA SER A 68 250.040 247.657 247.390 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA SER A 69 252.693 246.972 244.742 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA SER A 70 253.685 243.303 245.003 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA SER A 71 255.126 239.928 246.030 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA THR A 72 258.066 238.884 248.216 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA LEU A 73 258.785 235.695 250.173 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 262.317 234.507 250.966 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA THR A 75 265.756 232.940 251.447 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA PRO A 76 266.536 229.738 253.359 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA VAL A 77 269.010 226.914 254.005 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ARG A 78 271.654 225.784 256.505 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA PRO A 79 275.176 224.430 255.979 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ARG A 80 278.829 225.056 255.095 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA PRO A 81 282.225 223.331 255.184 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA SER A 82 285.423 224.987 253.938 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLU A 83 285.080 228.715 253.233 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA GLN A 84 287.732 231.436 252.950 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ALA A 85 289.630 232.018 256.202 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA THR A 86 293.410 231.618 256.472 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ARG A 87 295.999 231.981 253.700 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA SER A 88 298.110 232.894 250.663 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ARG A 89 299.857 235.737 248.825 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ARG A 90 302.263 237.658 246.580 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ARG A 91 300.514 240.688 245.071 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLY A 92 300.581 243.957 243.116 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ALA A 93 299.465 247.600 243.040 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA PRO A 94 301.441 250.843 242.735 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA ALA A 95 303.971 252.692 244.902 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ALA A 96 305.459 251.640 248.248 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA ASP A 97 309.081 252.082 249.343 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA GLU A 98 310.146 249.363 251.791 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ARG A 99 310.036 245.754 253.007 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA GLN A 100 311.354 242.196 252.662 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLU A 101 311.451 241.235 248.977 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ALA A 102 308.759 243.409 247.382 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA GLY A 103 307.226 242.623 243.984 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLY A 104 306.242 241.535 240.468 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA VAL A 105 305.932 244.681 238.340 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ALA A 106 308.084 246.549 235.812 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA PRO A 107 306.764 250.101 235.407 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA PRO A 108 305.064 253.256 236.699 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA PRO A 109 306.899 256.595 236.666 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA GLU A 110 306.475 258.641 233.480 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA ALA A 111 307.753 257.935 229.960 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA ALA A 112 306.360 256.741 226.621 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ASP A 113 304.529 253.436 227.111 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA ASP A 114 302.972 252.734 230.516 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ASP A 115 299.220 252.222 230.093 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA GLU A 116 296.404 251.423 232.531 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA ALA A 117 296.371 248.904 235.389 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLU A 118 292.981 249.313 237.080 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ARG A 119 291.358 246.881 239.523 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA ARG A 120 290.099 243.292 239.749 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ARG A 121 289.409 242.415 243.392 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA VAL A 122 286.110 241.559 245.095 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA VAL A 123 284.479 244.397 247.046 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA ASP A 124 282.453 244.451 250.272 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ALA A 125 280.225 246.410 252.664 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA ALA A 126 280.697 250.021 253.780 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA ALA A 127 283.382 252.443 252.579 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA PRO A 128 282.623 254.676 249.586 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA HIS A 129 281.103 254.050 246.150 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA PRO A 130 281.676 250.499 244.892 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA GLY A 131 281.591 249.560 241.201 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA ARG A 132 281.018 246.102 239.708 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ALA A 133 279.405 244.342 236.739 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA GLN A 134 276.969 241.700 235.473 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA GLY A 135 276.149 242.211 231.788 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ARG A 136 274.158 239.901 229.504 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA ARG A 137 274.438 236.112 229.783 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA ALA A 138 276.272 233.133 228.273 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA GLU A 139 277.475 230.184 230.363 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA SER A 140 280.108 228.513 232.552 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA GLY A 141 281.127 230.934 235.312 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA THR A 142 280.483 234.131 237.282 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA SER A 143 279.044 237.191 239.036 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA SER A 144 275.906 238.043 241.022 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA ALA A 145 275.514 238.016 244.812 1.00 0.00 C
|
| 148 |
+
TER 146 ALA A 145
|
| 149 |
+
END
|
Plants/Q5NA27/Q5NA27.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:aa57e628ab845e0e8d3bb32be643a7860c8dd2bd1177bc11f416579d32ebd814
|
| 3 |
+
size 38460276
|
Plants/Q5NA27/top.pdb
ADDED
|
@@ -0,0 +1,211 @@
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 270.603 194.385 273.407 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PRO A 2 274.138 194.092 272.014 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA HIS A 3 277.377 193.078 273.745 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 281.149 193.100 273.212 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLU A 5 283.546 190.737 274.998 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLU A 6 281.825 187.441 275.825 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLU A 7 282.266 184.607 278.333 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLY A 8 280.684 184.508 281.798 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLU A 9 281.907 187.421 283.926 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLU A 10 283.708 186.110 287.017 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASP A 11 283.680 186.648 290.788 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ALA A 12 281.147 184.925 293.055 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 278.199 182.868 294.315 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA CYS A 14 277.229 184.090 297.791 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 279.953 183.005 300.224 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA SER A 16 280.956 185.459 302.961 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA THR A 17 278.240 187.657 304.480 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ARG A 18 276.043 190.335 306.068 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA THR A 19 272.483 191.129 304.966 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ARG A 20 272.405 194.828 304.057 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 274.069 198.166 303.276 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLU A 22 274.370 201.167 305.604 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 277.533 202.041 307.539 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 277.402 203.002 311.223 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA LEU A 25 273.959 203.191 312.844 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 271.073 203.554 315.305 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA SER A 27 268.483 206.315 314.868 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA THR A 28 267.728 209.180 317.263 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 266.383 212.642 318.114 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 264.488 215.293 316.140 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 264.680 214.638 312.392 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ALA A 32 263.374 212.026 309.945 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 263.771 208.239 310.081 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ALA A 34 262.527 205.865 307.373 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA SER A 35 263.822 204.985 303.900 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 264.620 201.373 302.985 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 261.601 199.079 302.614 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA SER A 38 260.472 198.429 299.034 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLU A 39 260.076 196.088 296.054 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA MET A 40 258.197 193.788 293.668 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ALA A 41 259.830 191.426 291.164 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ALA A 42 263.631 191.667 291.269 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA VAL A 43 265.589 194.837 290.475 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLY A 44 263.150 197.369 289.007 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 262.311 196.481 285.398 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 264.383 193.833 283.606 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ARG A 47 266.748 190.879 284.045 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA VAL A 48 266.658 187.176 284.939 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLU A 49 264.475 185.361 282.398 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LEU A 50 262.772 182.001 281.832 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ALA A 51 262.171 178.258 281.453 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ALA A 52 259.347 175.800 280.745 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA LYS A 53 257.692 176.524 277.390 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLY A 54 258.000 176.136 273.613 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ILE A 55 254.473 175.815 272.208 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLU A 56 253.395 173.476 269.400 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLU A 57 252.889 174.210 265.696 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLU A 58 250.348 175.922 263.432 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLN A 59 249.552 177.149 259.914 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ARG A 60 250.223 179.576 257.054 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA HIS A 61 252.069 181.099 254.090 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA SER A 62 251.501 183.023 250.851 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ARG A 63 251.514 185.656 248.098 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ARG A 64 254.098 188.397 247.528 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 257.356 189.398 249.233 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA LEU A 66 259.250 192.398 250.619 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLY A 67 256.677 194.731 252.186 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA PRO A 68 256.660 198.147 253.872 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA CYS A 69 253.563 200.167 254.790 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA PRO A 70 251.760 203.349 255.859 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA THR A 71 251.580 204.646 259.437 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA PRO A 72 253.185 206.885 262.069 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA LEU A 73 252.024 210.457 262.705 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA PHE A 74 251.827 212.228 259.337 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA VAL A 75 249.293 210.559 257.032 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ALA A 76 245.645 211.532 257.548 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA PRO A 77 242.711 213.304 255.885 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA PRO A 78 239.931 210.993 254.682 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ARG A 79 237.243 209.562 252.393 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA PRO A 80 233.622 208.739 253.249 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA SER A 81 230.473 210.872 253.039 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA THR A 82 231.257 214.574 253.478 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ARG A 83 233.988 217.203 253.864 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ASN A 84 236.927 217.191 256.288 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ARG A 85 239.745 219.378 257.626 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA HIS A 86 242.743 221.192 256.129 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA HIS A 87 241.893 222.888 252.826 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA GLY A 88 241.587 223.733 249.123 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA LYS A 89 239.536 222.013 246.412 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA SER A 90 237.202 224.605 244.878 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA LEU A 91 236.926 228.298 245.774 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA HIS A 92 235.872 231.565 244.122 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ALA A 93 236.445 232.423 240.454 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA SER A 94 233.293 231.224 238.680 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA THR A 95 232.929 231.320 234.889 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLN A 96 233.591 234.911 233.802 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA PRO A 97 235.627 237.155 236.112 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA SER A 98 237.513 239.415 238.532 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA SER A 99 241.057 240.424 239.498 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA LEU A 100 241.876 243.706 241.252 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA PRO A 101 242.169 246.835 239.097 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA PRO A 102 245.036 248.960 237.763 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA PHE A 103 244.227 251.799 235.354 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA VAL A 104 245.816 255.201 236.000 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ALA A 105 249.571 254.601 235.757 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ARG A 106 251.411 257.657 237.095 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ARG A 107 251.943 261.144 235.655 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA ARG A 108 252.052 261.859 231.914 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA ARG A 109 253.162 259.308 229.310 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA PRO A 110 249.961 257.431 228.445 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA SER A 111 247.295 257.747 225.741 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA SER A 112 244.055 259.742 225.927 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA SER A 113 241.053 261.265 227.711 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA HIS A 114 238.305 263.780 228.510 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLY A 115 234.847 262.417 227.676 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA SER A 116 232.175 264.969 226.745 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA GLY A 117 233.262 268.544 226.001 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA PRO A 118 231.988 272.119 226.338 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA SER A 119 228.775 273.166 228.097 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA SER A 120 225.698 274.946 226.724 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA THR A 121 222.261 276.451 226.066 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA ARG A 122 219.864 275.725 223.194 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA ARG A 123 217.759 278.221 221.232 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA CYS A 124 214.141 279.066 220.388 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA GLY A 125 210.406 279.754 220.087 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA PRO A 126 207.374 281.464 221.635 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA PRO A 127 204.775 282.326 218.986 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA THR A 128 205.748 284.899 216.350 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA ALA A 129 206.956 288.219 214.923 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA ALA A 130 207.144 288.502 211.128 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA THR A 131 206.335 291.959 209.748 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA SER A 132 208.521 294.925 208.776 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA THR A 133 208.292 297.978 211.044 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA ARG A 134 205.184 299.794 212.293 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA SER A 135 204.730 303.573 212.461 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA TRP A 136 202.525 306.671 212.228 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA PRO A 137 200.739 307.748 209.040 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA ALA A 138 202.814 307.853 205.846 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA ALA A 139 205.857 305.806 204.812 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA ALA A 140 206.559 304.799 201.206 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA LEU A 141 210.158 303.608 200.827 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA HIS A 142 211.118 302.390 204.308 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA GLU A 143 212.865 300.939 207.366 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA PRO A 144 215.902 300.888 209.667 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA PRO A 145 218.224 299.333 212.256 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA LEU A 146 221.246 297.850 214.041 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA LEU A 147 222.735 294.672 212.558 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA VAL A 148 222.955 290.874 212.360 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA GLU A 149 225.157 287.794 211.933 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA PRO A 150 225.866 284.193 212.956 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA SER A 151 225.033 283.094 216.508 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA GLN A 152 228.112 281.461 218.046 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA ARG A 153 229.956 282.155 221.307 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA PRO A 154 232.282 283.193 224.141 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA LEU A 155 234.926 285.749 223.144 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA LEU A 156 233.913 289.421 223.099 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA LEU A 157 233.349 290.921 226.556 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA ASN A 158 232.559 292.565 229.901 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA ALA A 159 233.991 295.605 231.696 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA SER A 160 236.263 298.282 230.217 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA PRO A 161 236.668 299.500 226.629 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA ARG A 162 233.576 301.351 225.393 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA PRO A 163 231.205 303.356 227.602 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA THR A 164 232.467 306.542 229.266 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA HIS A 165 235.128 307.991 226.956 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA ARG A 166 235.753 310.068 223.823 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA ARG A 167 237.169 312.754 221.522 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA TYR A 168 240.666 313.481 220.197 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA LEU A 169 243.978 311.599 220.288 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA HIS A 170 245.344 311.290 216.744 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA PRO A 171 249.101 311.839 217.062 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA GLN A 172 251.278 314.966 217.127 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA PRO A 173 252.636 317.400 214.530 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA ALA A 174 252.312 320.327 212.113 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA SER A 175 255.560 321.106 210.280 1.00 0.00 C
|
| 178 |
+
ATOM 176 CA PRO A 176 258.577 322.276 212.291 1.00 0.00 C
|
| 179 |
+
ATOM 177 CA SER A 177 258.983 325.118 214.797 1.00 0.00 C
|
| 180 |
+
ATOM 178 CA SER A 178 260.144 328.724 215.198 1.00 0.00 C
|
| 181 |
+
ATOM 179 CA LEU A 179 260.004 329.529 218.919 1.00 0.00 C
|
| 182 |
+
ATOM 180 CA ARG A 180 260.554 327.193 221.879 1.00 0.00 C
|
| 183 |
+
ATOM 181 CA GLU A 181 263.934 326.394 223.444 1.00 0.00 C
|
| 184 |
+
ATOM 182 CA PRO A 182 265.606 323.001 222.986 1.00 0.00 C
|
| 185 |
+
ATOM 183 CA ALA A 183 269.255 322.208 223.741 1.00 0.00 C
|
| 186 |
+
ATOM 184 CA PRO A 184 269.607 321.584 227.483 1.00 0.00 C
|
| 187 |
+
ATOM 185 CA ALA A 185 272.066 318.723 228.012 1.00 0.00 C
|
| 188 |
+
ATOM 186 CA ARG A 186 274.256 315.605 227.992 1.00 0.00 C
|
| 189 |
+
ATOM 187 CA ILE A 187 273.953 311.837 228.468 1.00 0.00 C
|
| 190 |
+
ATOM 188 CA PRO A 188 276.026 308.640 228.488 1.00 0.00 C
|
| 191 |
+
ATOM 189 CA SER A 189 279.821 308.734 228.804 1.00 0.00 C
|
| 192 |
+
ATOM 190 CA LEU A 190 281.680 310.358 231.706 1.00 0.00 C
|
| 193 |
+
ATOM 191 CA ARG A 191 280.908 310.472 235.435 1.00 0.00 C
|
| 194 |
+
ATOM 192 CA GLY A 192 280.140 313.916 236.872 1.00 0.00 C
|
| 195 |
+
ATOM 193 CA PRO A 193 279.662 315.079 240.469 1.00 0.00 C
|
| 196 |
+
ATOM 194 CA PRO A 194 276.518 314.034 242.350 1.00 0.00 C
|
| 197 |
+
ATOM 195 CA PRO A 195 276.281 311.113 244.784 1.00 0.00 C
|
| 198 |
+
ATOM 196 CA LEU A 196 275.395 309.713 248.215 1.00 0.00 C
|
| 199 |
+
ATOM 197 CA PRO A 197 275.404 310.623 251.915 1.00 0.00 C
|
| 200 |
+
ATOM 198 CA LEU A 198 274.759 307.501 254.000 1.00 0.00 C
|
| 201 |
+
ATOM 199 CA ARG A 199 272.479 308.427 256.909 1.00 0.00 C
|
| 202 |
+
ATOM 200 CA ALA A 200 272.973 309.841 260.412 1.00 0.00 C
|
| 203 |
+
ATOM 201 CA SER A 201 273.793 309.477 264.115 1.00 0.00 C
|
| 204 |
+
ATOM 202 CA LEU A 202 275.348 311.474 266.962 1.00 0.00 C
|
| 205 |
+
ATOM 203 CA PRO A 203 276.929 313.630 269.677 1.00 0.00 C
|
| 206 |
+
ATOM 204 CA LYS A 204 280.734 313.753 269.524 1.00 0.00 C
|
| 207 |
+
ATOM 205 CA HIS A 205 282.560 315.042 266.439 1.00 0.00 C
|
| 208 |
+
ATOM 206 CA THR A 206 286.314 315.698 266.415 1.00 0.00 C
|
| 209 |
+
ATOM 207 CA GLY A 207 289.313 313.758 265.092 1.00 0.00 C
|
| 210 |
+
TER 208 GLY A 207
|
| 211 |
+
END
|
Plants/Q5NA69/Q5NA69.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:4db457e20f0fa9869f68df9f94e22b474ad56510dc0e7842e026ed829e77e9f3
|
| 3 |
+
size 9080276
|
Plants/Q5NA69/top.pdb
ADDED
|
@@ -0,0 +1,73 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 262.995 239.406 244.217 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 261.961 236.407 246.328 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLY A 3 258.604 235.706 247.988 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 255.299 235.358 246.126 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 252.951 236.261 243.264 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LEU A 6 249.373 237.350 243.995 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ALA A 7 246.025 235.659 243.329 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ALA A 8 242.733 236.818 244.856 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ALA A 9 240.907 239.660 243.093 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 240.643 243.110 244.687 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 242.154 246.125 246.460 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 245.039 247.209 244.221 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 247.614 249.813 243.169 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLY A 14 246.569 251.237 239.793 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLU A 15 249.134 253.268 237.840 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 248.622 252.291 234.193 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 248.425 255.060 231.584 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLY A 18 247.331 258.690 231.207 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA LYS A 19 243.576 259.129 231.681 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 242.760 262.524 230.157 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLU A 21 243.749 266.101 229.295 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLU A 22 245.716 269.015 230.762 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA THR A 23 248.015 269.988 233.641 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLU A 24 247.531 269.797 237.415 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 247.222 268.388 240.941 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA VAL A 26 248.779 265.038 241.877 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA LEU A 27 250.258 263.814 245.168 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA THR A 28 253.340 261.583 245.351 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLU A 29 255.514 258.513 245.959 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 258.876 258.803 247.729 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 258.716 258.062 251.463 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 255.441 258.950 253.195 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLN A 33 252.573 260.623 255.064 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 249.142 259.266 254.114 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ASN A 35 245.514 260.391 254.411 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASP A 36 245.287 264.056 255.428 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ASP A 37 246.496 267.613 254.796 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 244.031 269.541 252.622 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 242.508 269.405 249.132 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ARG A 40 240.504 269.094 245.907 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 238.501 265.855 246.006 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ALA A 42 239.977 262.553 244.807 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLU A 43 241.711 261.064 241.759 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA LEU A 44 244.061 258.098 241.321 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 246.465 256.884 244.017 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ARG A 46 249.952 255.367 244.257 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ARG A 47 250.226 253.388 247.501 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLY A 48 250.566 252.825 251.253 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLY A 49 252.125 250.330 253.674 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLY A 50 253.184 246.760 254.484 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 254.491 245.131 257.671 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ALA A 52 257.032 243.100 259.655 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA PRO A 53 257.569 239.349 259.262 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ALA A 54 258.806 235.750 259.449 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA MET A 55 257.651 232.216 260.283 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 256.848 229.080 262.291 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLY A 57 254.369 227.769 264.871 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ALA A 58 253.443 230.464 267.400 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ASN A 59 254.329 229.645 271.014 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA LYS A 60 256.891 231.409 273.213 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLY A 61 259.527 234.139 273.550 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ALA A 62 258.518 237.506 272.080 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 256.413 240.134 270.296 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA LYS A 64 253.818 239.286 267.638 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLY A 65 253.299 236.633 264.954 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA CYS A 66 250.024 235.080 263.780 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 247.204 237.486 264.662 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA VAL A 68 245.695 240.098 262.334 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA THR A 69 245.378 243.481 264.058 1.00 0.00 C
|
| 72 |
+
TER 70 THR A 69
|
| 73 |
+
END
|
Plants/Q5NAB5/Q5NAB5.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:139e8cde21a34ccc4b3b117b42e00b6bbda0d202ebf3bad61b5dbc3982795a9a
|
| 3 |
+
size 7040276
|
Plants/Q5NAB5/top.pdb
ADDED
|
@@ -0,0 +1,56 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
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|
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|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 247.129 252.723 270.574 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 245.741 250.279 268.002 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA SER A 3 247.344 246.840 268.339 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA HIS A 4 248.702 243.401 267.419 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 250.728 242.012 270.332 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLU A 6 252.412 238.605 270.605 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA PRO A 7 254.535 236.175 268.579 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 256.753 234.966 265.727 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LEU A 9 256.125 236.918 262.515 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 255.452 238.545 259.137 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA LEU A 11 258.741 238.478 257.215 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ALA A 12 259.341 241.165 254.582 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASN A 13 260.076 239.805 251.099 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 260.416 240.944 247.480 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA THR A 15 258.344 243.106 245.124 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LEU A 16 256.422 245.765 243.187 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 253.239 247.478 244.391 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 249.557 248.319 244.890 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA TRP A 19 247.066 249.968 247.255 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 245.596 251.549 250.394 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ASP A 21 245.523 254.701 252.532 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ARG A 22 248.862 255.535 254.165 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA PRO A 23 252.350 255.687 252.640 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ALA A 24 254.628 257.002 255.396 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA LEU A 25 257.425 259.582 255.206 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 258.632 261.554 252.178 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASP A 27 260.522 262.060 248.909 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 263.762 261.432 247.004 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ALA A 29 263.254 258.146 245.144 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA THR A 30 263.668 256.238 241.873 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLU A 31 264.841 252.615 241.995 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA SER A 32 265.345 250.835 245.325 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLY A 33 263.805 251.118 248.798 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ILE A 34 261.266 248.408 249.651 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA PRO A 35 257.780 249.736 248.874 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA THR A 36 255.997 253.004 248.060 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 254.827 253.911 244.550 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ARG A 38 252.501 256.928 244.503 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 249.609 255.942 246.778 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA LEU A 40 246.422 255.729 244.701 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 245.373 254.864 241.141 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA LEU A 42 242.726 254.082 238.516 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 239.763 254.060 236.121 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA PRO A 44 237.667 251.401 234.372 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ALA A 45 233.916 251.530 235.030 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ASP A 46 230.751 253.275 236.235 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA VAL A 47 227.228 254.129 237.408 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA SER A 48 225.133 251.197 238.644 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA HIS A 49 224.301 251.293 242.361 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASN A 50 227.649 251.360 244.179 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA THR A 51 230.440 248.794 243.807 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ALA A 52 230.315 246.808 247.057 1.00 0.00 C
|
| 55 |
+
TER 53 ALA A 52
|
| 56 |
+
END
|
Plants/Q5NAP7/Q5NAP7.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:106b36d89087853cb5dd1bb42fb6760abfdbab4ba956983e00bec38a5f45cb75
|
| 3 |
+
size 23960276
|
Plants/Q5NAP7/top.pdb
ADDED
|
@@ -0,0 +1,197 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 239.264 301.277 234.422 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PRO A 2 240.202 304.554 236.123 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PRO A 3 241.950 306.538 238.866 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 243.416 305.624 242.262 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 243.053 302.501 244.414 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ALA A 6 243.242 303.057 248.179 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA PRO A 7 244.622 306.108 249.996 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ALA A 8 242.846 309.228 251.274 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PRO A 9 244.740 312.465 250.602 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 245.473 315.340 252.991 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 247.148 314.158 256.202 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA SER A 12 250.686 315.288 257.051 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA PRO A 13 250.948 318.985 256.168 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA PHE A 14 250.752 321.068 252.983 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 249.434 324.221 251.300 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ALA A 16 245.647 324.306 251.710 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA THR A 17 243.044 325.983 253.929 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA THR A 18 243.486 324.548 257.431 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA PRO A 19 241.659 323.168 260.476 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 240.742 319.526 259.833 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 241.096 318.417 256.205 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ALA A 22 238.460 318.509 253.456 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA SER A 23 237.471 315.786 250.981 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ALA A 24 238.272 313.412 248.111 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA THR A 25 240.342 314.865 245.261 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 244.049 314.251 244.632 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA SER A 27 246.439 311.362 243.953 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 249.958 312.602 243.181 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA THR A 29 252.108 312.634 240.036 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 251.408 309.357 238.223 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ALA A 31 249.011 306.680 236.955 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA THR A 32 249.442 302.984 237.772 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA THR A 33 248.565 300.224 240.248 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PRO A 34 249.629 301.336 243.733 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA SER A 35 250.297 300.254 247.324 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA SER A 36 251.454 296.639 246.996 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 253.917 294.877 249.307 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 254.248 291.093 249.014 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 252.225 289.687 246.108 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA THR A 40 249.726 287.303 247.716 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA PRO A 41 249.851 283.805 249.222 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 249.952 280.310 250.734 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 250.360 276.855 252.289 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA THR A 44 253.118 275.181 250.263 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA PRO A 45 256.359 276.992 251.124 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 258.917 279.721 251.848 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA PRO A 47 262.536 279.075 250.846 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ALA A 48 264.038 275.597 250.437 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA LEU A 49 266.986 274.019 248.612 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 267.725 274.842 244.967 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA THR A 51 267.544 272.611 241.884 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ALA A 52 266.164 269.467 240.231 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA PRO A 53 262.600 270.100 239.040 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA PRO A 54 259.953 269.002 236.529 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA SER A 55 257.995 265.803 235.860 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 255.572 262.878 236.158 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ALA A 57 256.689 259.704 237.946 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA THR A 58 258.267 257.250 240.396 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA PRO A 59 258.592 258.834 243.846 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA PRO A 60 259.129 261.834 246.132 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ALA A 61 261.213 261.244 249.267 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ALA A 62 263.922 258.842 250.452 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA THR A 63 264.877 259.018 254.136 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ALA A 64 261.743 258.054 256.078 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA THR A 65 258.186 259.050 255.147 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ALA A 66 255.991 256.917 257.415 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 255.059 258.506 260.751 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA SER A 68 252.675 256.030 262.395 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA SER A 69 251.366 257.603 265.609 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA SER A 70 251.975 261.182 266.765 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA THR A 71 254.705 263.670 265.830 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 258.370 263.799 266.864 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA SER A 73 260.520 262.730 263.906 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA PRO A 74 261.684 259.577 262.111 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ASN A 75 265.188 258.084 262.007 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ALA A 76 267.563 258.343 264.976 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA TRP A 77 270.668 260.153 263.714 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLY A 78 273.349 261.783 265.875 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA CYS A 79 274.950 265.167 266.587 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ARG A 80 272.780 267.019 269.113 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA SER A 81 271.423 267.616 272.623 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA CYS A 82 274.269 266.610 274.947 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ARG A 83 276.926 264.938 277.106 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA HIS A 84 278.426 263.373 280.240 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA SER A 85 281.688 261.405 280.197 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA TRP A 86 283.979 262.367 277.309 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA LEU A 87 286.023 261.165 274.327 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA THR A 88 288.212 261.281 271.210 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA THR A 89 291.628 262.937 271.536 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA GLY A 90 291.091 266.330 273.182 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ALA A 91 287.665 267.481 274.388 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA SER A 92 284.064 267.842 273.199 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ALA A 93 281.090 265.527 272.635 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ALA A 94 280.336 261.819 272.190 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA ALA A 95 280.305 258.121 271.274 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLN A 96 278.727 254.709 271.891 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA THR A 97 275.908 252.212 272.471 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA SER A 98 276.274 249.508 269.811 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA PRO A 99 277.900 246.529 268.080 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA LEU A 100 280.917 244.445 267.046 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ALA A 101 282.447 241.420 265.307 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA PRO A 102 279.750 239.596 263.329 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA PRO A 103 280.216 235.864 263.940 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA PRO A 104 279.603 232.198 264.775 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA PRO A 105 276.926 230.829 262.435 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA SER A 106 275.450 231.850 259.075 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA THR A 107 274.343 231.804 255.429 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA PRO A 108 273.898 228.219 254.220 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA ALA A 109 273.721 227.754 250.443 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA SER A 110 271.125 225.516 248.780 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA SER A 111 267.385 226.218 248.969 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA THR A 112 265.564 223.009 248.017 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA PRO A 113 263.178 221.244 250.406 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA ALA A 114 261.101 221.889 253.534 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ILE A 115 261.196 224.633 256.176 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA LEU A 116 258.380 226.313 258.116 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA LEU A 117 255.956 229.251 258.210 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA ARG A 118 252.845 229.961 256.129 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ALA A 119 249.445 228.377 256.798 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA PRO A 120 246.069 230.123 257.065 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ALA A 121 244.720 233.653 256.579 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA ARG A 122 244.187 236.585 258.952 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA SER A 123 241.230 236.776 261.347 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA ARG A 124 239.570 233.502 262.366 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA SER A 125 235.887 233.396 263.336 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA THR A 126 234.120 230.025 263.509 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA PRO A 127 234.013 227.056 261.124 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA ALA A 128 235.276 223.465 261.295 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA SER A 129 234.793 221.027 264.182 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA ALA A 130 234.492 217.540 265.688 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA PHE A 131 231.039 216.019 266.221 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA SER A 132 229.120 216.369 262.948 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA TRP A 133 227.695 218.157 259.900 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA ALA A 134 227.980 221.881 260.652 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA GLY A 135 225.579 223.919 258.509 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA SER A 136 223.720 223.290 255.243 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA SER A 137 225.775 222.775 252.076 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA ARG A 138 226.018 223.937 248.456 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA SER A 139 225.263 226.010 245.350 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA SER A 140 226.152 229.513 244.144 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA LEU A 141 227.543 230.542 240.750 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA ARG A 142 225.690 228.735 237.953 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA SER A 143 225.297 225.989 235.341 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA ALA A 144 223.234 222.790 235.509 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA ALA A 145 220.320 221.612 233.355 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA GLN A 146 218.742 221.528 229.889 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA HIS A 147 217.642 218.726 227.554 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA LYS A 148 219.053 217.118 224.401 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA ASN A 149 219.008 216.236 220.695 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA ALA A 150 221.104 214.051 218.382 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA ARG A 151 221.153 215.649 214.924 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA ILE A 152 222.052 213.743 211.750 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA SER A 153 224.369 212.540 208.975 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA SER A 154 225.675 209.114 210.009 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA GLY A 155 224.799 207.495 213.345 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA ASP A 156 224.950 207.768 217.142 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA PRO A 157 222.922 205.385 219.315 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA SER A 158 222.290 205.090 223.060 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA SER A 159 224.439 206.942 225.604 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA SER A 160 227.208 205.647 227.877 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA SER A 161 228.380 204.017 231.116 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA ALA A 162 231.468 202.461 232.715 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA ASN A 163 234.456 204.266 234.242 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA SER A 164 237.529 202.358 235.436 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA ASP A 165 236.645 198.652 235.396 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA SER A 166 237.875 195.380 236.910 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA THR A 167 237.451 191.596 237.052 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA ILE A 168 237.453 188.478 239.243 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA THR A 169 235.618 186.203 241.686 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA SER A 170 236.535 187.107 245.272 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA SER A 171 240.294 186.528 245.490 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA SER A 172 241.103 185.411 249.041 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA SER A 173 240.139 187.101 252.317 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA GLY A 174 242.391 190.095 253.008 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA ARG A 175 244.913 192.743 251.936 1.00 0.00 C
|
| 178 |
+
ATOM 176 CA ARG A 176 243.650 194.564 248.838 1.00 0.00 C
|
| 179 |
+
ATOM 177 CA ALA A 177 245.173 193.873 245.414 1.00 0.00 C
|
| 180 |
+
ATOM 178 CA TRP A 178 246.072 194.119 241.720 1.00 0.00 C
|
| 181 |
+
ATOM 179 CA LYS A 179 247.144 197.672 240.860 1.00 0.00 C
|
| 182 |
+
ATOM 180 CA ARG A 180 244.327 200.116 240.078 1.00 0.00 C
|
| 183 |
+
ATOM 181 CA SER A 181 243.129 202.729 242.578 1.00 0.00 C
|
| 184 |
+
ATOM 182 CA ASP A 182 240.904 204.648 245.004 1.00 0.00 C
|
| 185 |
+
ATOM 183 CA ARG A 183 237.490 202.958 245.089 1.00 0.00 C
|
| 186 |
+
ATOM 184 CA SER A 184 234.318 204.988 244.510 1.00 0.00 C
|
| 187 |
+
ATOM 185 CA SER A 185 233.443 205.119 240.804 1.00 0.00 C
|
| 188 |
+
ATOM 186 CA HIS A 186 233.189 208.743 239.654 1.00 0.00 C
|
| 189 |
+
ATOM 187 CA ILE A 187 233.729 212.367 238.612 1.00 0.00 C
|
| 190 |
+
ATOM 188 CA SER A 188 237.354 212.812 237.526 1.00 0.00 C
|
| 191 |
+
ATOM 189 CA SER A 189 239.560 215.285 235.645 1.00 0.00 C
|
| 192 |
+
ATOM 190 CA LYS A 190 242.528 217.349 236.848 1.00 0.00 C
|
| 193 |
+
ATOM 191 CA PRO A 191 245.218 215.768 239.035 1.00 0.00 C
|
| 194 |
+
ATOM 192 CA SER A 192 249.001 215.720 239.485 1.00 0.00 C
|
| 195 |
+
ATOM 193 CA PRO A 193 252.352 214.029 240.141 1.00 0.00 C
|
| 196 |
+
TER 194 PRO A 193
|
| 197 |
+
END
|
Plants/Q5NAT2/Q5NAT2.dcd
ADDED
|
@@ -0,0 +1,3 @@
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|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9c6d99070270fa59dda59dea7b5d16d7cba0ff254b981b1f3183626a4e561b88
|
| 3 |
+
size 10400276
|
Plants/Q5NAT2/top.pdb
ADDED
|
@@ -0,0 +1,84 @@
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 223.130 269.873 206.722 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA SER A 2 226.516 269.146 208.311 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ASP A 3 228.543 272.099 209.609 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 231.566 274.283 210.390 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ILE A 5 235.357 274.183 210.027 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LEU A 6 238.852 275.389 210.947 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA VAL A 7 242.170 273.659 210.226 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ASP A 8 244.754 270.861 210.304 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ILE A 9 248.161 271.998 211.575 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 248.265 275.155 213.705 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 251.230 275.939 215.965 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA SER A 12 254.115 273.550 215.267 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 257.667 272.565 216.232 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLY A 14 260.419 274.787 214.816 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA PRO A 15 263.827 273.574 216.014 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 265.147 270.200 214.835 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 267.819 267.574 215.529 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ARG A 18 268.370 263.887 216.314 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ARG A 19 266.983 262.219 219.446 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ARG A 20 265.153 259.728 221.674 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LEU A 21 264.589 260.114 225.422 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLN A 22 265.441 261.215 228.969 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA PRO A 23 266.568 260.251 232.478 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLU A 24 263.981 261.606 234.925 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLU A 25 262.647 263.803 237.737 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA HIS A 26 259.222 262.848 239.106 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA LYS A 27 259.775 259.956 241.525 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 260.854 256.770 243.314 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA PRO A 29 258.081 254.184 243.687 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 255.917 252.647 246.420 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 252.936 250.309 246.822 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 252.989 248.639 250.246 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 253.743 246.096 252.981 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ILE A 34 253.106 243.716 255.887 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ASP A 35 250.115 244.085 258.219 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 248.610 244.150 261.718 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 246.083 246.232 263.667 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLU A 38 242.687 247.191 265.105 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA THR A 39 239.920 244.907 266.385 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA LYS A 40 236.710 244.073 268.261 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA LEU A 41 237.330 244.265 272.015 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ARG A 42 235.633 247.348 273.475 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA VAL A 43 237.405 249.407 276.147 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLN A 44 237.953 252.605 278.143 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ILE A 45 241.527 253.923 278.034 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ASP A 46 243.954 253.216 280.885 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA TYR A 47 246.850 250.942 279.908 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 247.321 251.268 276.141 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLU A 49 245.618 248.971 273.623 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA PRO A 50 245.157 245.266 272.861 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 247.240 243.491 270.211 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 250.627 242.633 271.729 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLN A 53 251.068 239.697 274.117 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ALA A 54 252.384 238.022 277.276 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 250.719 235.774 279.862 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA PRO A 56 248.130 233.080 280.612 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLU A 57 249.741 229.734 279.764 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ILE A 58 249.782 225.956 280.259 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ASP A 59 246.630 223.968 281.054 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ARG A 60 243.660 223.678 283.422 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ASP A 61 240.480 224.177 281.384 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ALA A 62 238.655 223.506 278.107 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 238.907 226.046 275.278 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 238.581 224.927 271.651 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLU A 65 238.152 227.767 269.147 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA PRO A 66 241.107 228.291 266.800 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ARG A 67 244.282 230.396 266.748 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA THR A 68 245.224 232.948 264.081 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA GLY A 69 247.493 232.192 261.115 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA HIS A 70 248.458 235.500 259.489 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA MET A 71 250.855 235.483 256.528 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLY A 72 254.373 235.061 257.928 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA THR A 73 257.588 235.311 255.900 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA PRO A 74 257.503 235.299 252.091 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ASN A 75 256.950 238.917 251.035 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ARG A 76 258.848 241.616 249.130 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA LEU A 77 261.149 244.430 250.272 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLY A 78 262.288 247.948 251.191 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA LEU A 79 264.601 247.413 254.171 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ILE A 80 263.756 246.070 257.635 1.00 0.00 C
|
| 83 |
+
TER 81 ILE A 80
|
| 84 |
+
END
|
Plants/Q5NB00/Q5NB00.dcd
ADDED
|
@@ -0,0 +1,3 @@
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version https://git-lfs.github.com/spec/v1
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oid sha256:ea504ede19fb110ee3d07e988f984ace9de2c2bc02fd24cea6fe54b52d235548
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size 8120276
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Plants/Q5NB00/top.pdb
ADDED
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@@ -0,0 +1,65 @@
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| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 270.052 230.170 238.757 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 270.571 228.408 242.095 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ALA A 3 268.480 227.904 245.240 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LEU A 4 265.476 230.247 245.276 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 262.317 229.000 247.002 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA TRP A 6 259.445 227.223 248.767 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLU A 7 257.041 229.675 250.417 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLU A 8 256.804 228.702 254.093 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PRO A 9 255.416 226.593 256.946 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 254.498 226.209 260.623 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 251.856 223.723 261.790 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA CYS A 12 249.908 222.962 264.974 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 246.481 223.640 266.495 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA VAL A 14 243.315 222.422 268.230 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 240.407 224.843 267.788 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 238.903 225.837 264.431 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLY A 17 237.925 224.420 261.033 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 234.207 223.593 261.098 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 233.174 223.497 257.432 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 231.471 226.626 256.081 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 232.696 230.163 256.791 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 235.863 232.238 257.214 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA SER A 23 239.517 231.787 258.197 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 242.496 229.588 259.095 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA VAL A 25 244.905 231.143 261.604 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 248.220 232.933 261.037 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA VAL A 27 248.710 236.066 263.148 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA LEU A 28 248.843 238.698 265.899 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 246.292 238.934 268.720 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 243.149 240.603 267.358 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLU A 31 242.267 244.230 266.596 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 244.427 247.359 266.341 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA LEU A 33 242.566 250.593 267.111 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 244.366 253.906 267.658 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 243.558 257.627 267.544 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLY A 36 246.606 259.901 267.773 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLU A 37 248.251 263.330 268.011 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 249.333 264.301 264.490 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 249.670 265.132 260.787 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ALA A 40 246.819 266.523 258.677 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 247.429 268.602 255.543 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 248.840 269.895 252.249 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ALA A 43 249.105 273.087 250.185 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA TRP A 44 250.164 275.738 247.663 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ALA A 45 252.962 277.609 245.878 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 251.712 278.406 242.369 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ARG A 47 252.401 281.396 240.109 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 255.668 282.780 238.723 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 256.899 281.066 235.550 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ALA A 50 257.152 278.857 232.456 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 254.921 275.773 232.623 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 251.905 274.321 230.803 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLY A 53 250.062 276.532 228.307 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ALA A 54 249.957 274.676 224.981 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 251.348 275.174 221.469 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ALA A 56 253.784 276.085 218.685 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA VAL A 57 255.133 277.510 215.419 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ALA A 58 257.238 278.851 212.540 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LEU A 59 259.436 276.043 211.199 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 262.635 277.172 209.464 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ARG A 61 264.946 279.678 211.166 1.00 0.00 C
|
| 64 |
+
TER 62 ARG A 61
|
| 65 |
+
END
|
Plants/Q5NBE0/Q5NBE0.dcd
ADDED
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@@ -0,0 +1,3 @@
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| 1 |
+
version https://git-lfs.github.com/spec/v1
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| 2 |
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oid sha256:967b3793f2733ab800a1895d49fc03b78515f1c60a70ab22abe24e61a7e158bd
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| 3 |
+
size 7880276
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Plants/Q5NBE0/top.pdb
ADDED
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@@ -0,0 +1,63 @@
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|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 234.368 272.656 242.420 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PRO A 2 236.068 270.585 239.712 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 235.680 271.359 236.001 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 237.517 271.657 232.677 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA SER A 5 241.266 272.150 232.207 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ALA A 6 242.862 271.883 235.657 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ASN A 7 242.180 270.727 239.222 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ASN A 8 241.736 266.949 238.995 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ASP A 9 238.702 264.665 238.695 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 239.044 261.391 240.613 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASN A 11 240.684 261.100 244.039 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 243.756 262.945 245.335 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ILE A 13 246.616 261.008 246.942 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLU A 14 247.807 258.462 244.371 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LEU A 15 246.789 254.851 243.707 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 243.290 253.726 242.702 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLU A 17 241.513 250.389 243.174 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLY A 18 240.580 247.505 245.482 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 239.811 243.927 246.540 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 237.073 241.713 247.995 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA VAL A 21 234.483 241.276 245.235 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ASP A 22 232.800 243.863 243.001 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA THR A 23 231.308 247.369 242.978 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA THR A 24 229.805 250.662 244.167 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 231.103 254.117 245.112 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 232.811 256.554 242.733 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 236.592 256.469 243.190 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA THR A 28 237.296 255.642 246.842 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA VAL A 29 240.040 257.248 248.942 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 242.528 255.026 250.783 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ALA A 31 244.143 252.813 253.432 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ASP A 32 247.929 253.194 253.249 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA SER A 33 249.265 252.250 249.808 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PRO A 34 246.868 249.819 248.118 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ALA A 35 246.085 246.199 249.013 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 249.050 244.096 247.871 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 248.015 240.430 247.949 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA SER A 38 249.510 238.962 251.131 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA SER A 39 251.408 235.987 252.567 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA LEU A 40 254.794 234.289 252.153 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 258.563 234.344 252.707 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA THR A 42 259.309 235.140 256.357 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 261.688 233.009 258.434 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLN A 44 265.273 232.180 257.444 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 268.690 231.185 258.804 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 271.776 230.079 260.744 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLN A 47 274.377 232.467 262.175 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ASP A 48 276.514 235.398 261.009 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLU A 49 275.345 236.312 257.500 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 272.720 238.819 256.345 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLN A 51 272.609 242.299 257.892 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 274.132 243.997 260.944 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLU A 53 272.673 247.517 260.916 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA LEU A 54 269.065 247.116 262.071 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 265.305 246.830 262.618 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLU A 56 262.953 247.167 265.597 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLY A 57 264.723 248.708 268.598 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ILE A 58 266.511 246.361 271.008 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLU A 59 264.600 245.158 274.077 1.00 0.00 C
|
| 62 |
+
TER 60 GLU A 59
|
| 63 |
+
END
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Plants/Q5NBN0/Q5NBN0.dcd
ADDED
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@@ -0,0 +1,3 @@
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| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:32af97ea69c0852f889f1a5f37e33695156d1c5b2762e867df31b9fe4110a0b7
|
| 3 |
+
size 10280276
|
Plants/Q5NBN0/top.pdb
ADDED
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@@ -0,0 +1,83 @@
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|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 237.167 219.750 270.539 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ARG A 2 237.796 216.136 269.511 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA SER A 3 237.698 213.596 272.349 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA VAL A 4 241.221 212.323 273.042 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 244.184 210.556 274.660 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LYS A 6 247.140 211.070 277.008 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA SER A 7 250.511 212.844 277.074 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 253.795 214.117 275.620 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 254.272 216.105 272.405 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 250.989 217.762 271.408 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 248.123 219.629 273.086 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ALA A 12 246.882 222.888 271.551 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA THR A 13 244.033 222.196 269.119 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 241.220 224.474 270.308 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA PRO A 15 240.149 227.888 268.999 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA TYR A 16 242.026 229.508 266.106 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 241.565 227.209 263.102 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LEU A 18 239.271 228.630 260.413 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 239.441 232.406 259.927 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA LEU A 20 239.367 236.205 259.653 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA PRO A 21 240.654 237.616 256.356 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA HIS A 22 241.091 241.382 256.735 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ILE A 23 244.043 243.614 257.641 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA SER A 24 243.094 247.293 257.929 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASP A 25 244.655 250.743 258.353 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ASP A 26 245.118 253.222 261.209 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ILE A 27 242.524 255.193 263.185 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 239.841 255.101 265.888 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ALA A 29 237.020 255.810 268.348 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ALA A 30 233.790 257.666 269.151 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLY A 31 232.449 259.395 266.032 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 233.326 259.350 262.325 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 236.814 258.382 261.137 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 237.393 256.520 257.863 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 240.490 255.059 256.193 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 242.088 255.327 252.745 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA THR A 37 245.580 253.848 252.378 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA SER A 38 247.849 256.884 251.985 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 246.489 259.503 254.395 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA PRO A 40 246.937 262.929 252.790 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 249.395 264.912 250.659 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA VAL A 42 252.164 262.567 249.497 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA PRO A 43 254.963 260.363 248.147 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ARG A 44 253.289 257.907 245.764 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ALA A 45 251.624 257.836 242.337 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ALA A 46 249.027 259.372 240.011 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA SER A 47 249.783 262.043 237.401 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA PRO A 48 252.752 261.873 235.020 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ASP A 49 256.225 263.362 235.511 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 259.570 263.563 237.325 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA HIS A 51 262.932 265.332 237.039 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA VAL A 52 266.242 263.624 237.840 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ALA A 53 269.288 264.033 240.092 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLY A 54 268.355 266.907 242.413 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 271.015 269.022 244.135 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 270.873 270.512 247.639 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ASN A 57 267.321 271.326 248.751 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLY A 58 264.913 274.185 248.016 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LYS A 59 262.097 275.531 245.829 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 261.048 275.907 242.186 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ILE A 61 258.305 275.507 239.572 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 258.901 275.950 235.835 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ARG A 63 259.046 272.626 233.978 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA VAL A 64 260.687 269.922 231.854 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ARG A 65 261.743 271.186 228.419 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ARG A 66 261.167 273.103 225.177 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLU A 67 257.385 273.152 224.717 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA THR A 68 256.254 269.514 224.747 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ALA A 69 257.425 266.326 226.475 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA LEU A 70 255.455 263.294 225.275 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA GLY A 71 255.807 260.271 227.567 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA PRO A 72 254.766 256.851 228.886 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA THR A 73 253.323 253.417 228.088 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ARG A 74 254.788 249.938 227.573 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLY A 75 252.205 247.220 226.895 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ARG A 76 252.027 246.844 223.108 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA THR A 77 251.279 244.869 219.937 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ALA A 78 250.274 241.430 218.641 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ALA A 79 248.193 238.275 219.125 1.00 0.00 C
|
| 82 |
+
TER 80 ALA A 79
|
| 83 |
+
END
|
Plants/Q5NKG4/Q5NKG4.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:980764e29ab891b31b3df9dc1fd02fa90eee660c9d411901ce653eaa91efd351
|
| 3 |
+
size 20000276
|
Plants/Q5NKG4/top.pdb
ADDED
|
@@ -0,0 +1,164 @@
|
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|
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|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 208.419 177.713 187.420 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 211.414 177.699 189.776 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA SER A 3 211.256 174.836 192.285 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASN A 4 212.784 172.404 194.789 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLN A 5 213.470 173.880 198.234 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLN A 6 214.787 174.324 201.782 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA SER A 7 215.940 171.726 204.319 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA TYR A 8 214.887 168.097 204.804 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LYS A 9 217.287 165.155 204.488 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 219.210 163.408 207.275 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 222.820 164.055 208.305 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLU A 12 223.187 167.810 208.840 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA THR A 13 225.373 170.830 209.625 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 225.179 173.892 211.884 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 228.448 175.838 211.685 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 228.672 177.704 208.371 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA THR A 17 226.892 181.052 208.001 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLN A 18 228.235 184.608 208.257 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLU A 19 228.192 187.747 206.098 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA LYS A 20 227.590 190.755 208.359 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA THR A 21 228.253 192.679 211.580 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 230.450 191.518 214.467 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLN A 23 233.304 193.123 216.416 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA THR A 24 234.057 196.849 216.168 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA MET A 25 235.203 200.005 217.969 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 232.177 201.943 219.235 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 232.082 204.553 222.009 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA MET A 28 235.539 205.405 223.366 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ARG A 29 236.741 208.999 223.758 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASP A 30 233.647 211.086 222.992 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LYS A 31 229.993 210.995 221.915 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ALA A 32 227.909 213.193 219.603 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 225.986 215.420 217.183 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLU A 34 224.642 218.699 218.580 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 222.856 222.062 218.711 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LYS A 36 223.845 225.706 218.202 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ASN A 37 227.633 226.009 217.917 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA LYS A 38 228.504 229.448 216.528 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA THR A 39 231.044 231.806 214.945 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 234.697 231.185 214.060 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLN A 41 235.054 228.035 211.947 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA THR A 42 238.806 227.674 211.388 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ALA A 43 239.937 230.267 208.837 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLN A 44 241.409 233.477 210.268 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA THR A 45 241.930 232.750 213.972 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ALA A 46 241.959 229.849 216.441 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLN A 47 239.772 227.758 218.757 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLN A 48 241.674 226.060 221.588 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA LYS A 49 242.041 228.651 224.358 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ALA A 50 243.255 232.214 223.774 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA HIS A 51 244.998 235.418 224.874 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLU A 52 246.946 234.592 228.042 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA THR A 53 247.886 233.145 231.439 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA THR A 54 245.097 232.349 233.910 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLN A 55 242.475 234.405 235.757 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ALA A 56 241.488 234.949 239.397 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ALA A 57 244.220 234.697 242.041 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA LYS A 58 247.319 236.911 242.169 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ASP A 59 248.122 237.971 245.739 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA LYS A 60 249.726 235.428 248.080 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA THR A 61 252.754 233.290 247.200 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA SER A 62 254.670 230.054 246.588 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLN A 63 256.664 229.323 243.424 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ALA A 64 259.883 228.126 241.775 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ALA A 65 263.344 228.975 243.123 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLN A 66 266.232 231.399 242.577 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA THR A 67 266.389 235.205 242.680 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA THR A 68 263.286 237.178 243.678 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA GLN A 69 260.879 235.163 245.838 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLN A 70 258.206 236.957 247.876 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA LYS A 71 258.828 240.602 248.793 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 261.972 242.746 248.990 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLN A 73 264.234 244.854 246.763 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLU A 74 265.537 248.431 246.901 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA THR A 75 266.967 251.203 244.712 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ALA A 76 266.574 254.741 246.069 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLN A 77 267.215 256.620 249.321 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ALA A 78 264.523 259.265 249.840 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ALA A 79 264.753 260.288 253.503 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA LYS A 80 265.436 258.440 256.764 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ASP A 81 262.320 257.234 258.595 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA LYS A 82 262.135 258.703 262.105 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA THR A 83 263.629 261.968 263.380 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA SER A 84 265.877 262.006 266.455 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA GLN A 85 268.590 259.332 266.509 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ALA A 86 268.293 255.549 266.167 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ALA A 87 265.818 253.528 264.092 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA GLN A 88 262.316 253.317 265.579 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA THR A 89 258.766 253.097 266.943 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA THR A 90 255.566 255.131 266.571 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA GLN A 91 255.776 257.932 269.146 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLN A 92 254.549 261.151 270.772 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA LYS A 93 250.940 262.213 270.168 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ALA A 94 249.383 260.387 267.209 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA HIS A 95 247.313 260.998 264.070 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLU A 96 243.992 259.160 264.394 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA THR A 97 242.493 256.707 266.894 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA THR A 98 242.758 254.405 269.919 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLN A 99 242.966 255.935 273.402 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA SER A 100 243.374 258.840 275.833 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ALA A 101 245.276 261.824 274.419 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA LYS A 102 247.705 263.874 276.519 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA GLU A 103 246.663 267.534 276.714 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA LYS A 104 246.288 270.267 274.085 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA THR A 105 244.770 270.365 270.592 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA SER A 106 244.376 273.136 268.007 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLN A 107 244.559 276.890 268.632 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA THR A 108 247.756 278.410 267.222 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA ALA A 109 249.917 279.089 270.286 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA GLN A 110 251.600 278.559 273.663 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA THR A 111 250.184 277.475 277.030 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA ALA A 112 249.095 276.723 280.602 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA GLN A 113 245.568 277.308 281.920 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA GLU A 114 244.996 281.052 281.504 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA LYS A 115 245.868 284.569 282.682 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ALA A 116 245.733 287.203 285.432 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA ARG A 117 245.723 285.431 288.805 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLU A 118 249.052 284.105 290.101 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA THR A 119 249.671 284.152 293.860 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA LYS A 120 253.128 283.136 295.097 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ASP A 121 255.630 285.617 296.547 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA LYS A 122 258.515 288.049 297.068 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA THR A 123 259.844 291.441 298.185 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA GLY A 124 257.796 294.255 299.735 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA SER A 125 257.482 297.071 297.188 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA TYR A 126 257.557 300.126 294.912 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA LEU A 127 260.737 301.992 293.953 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA SER A 128 264.261 300.624 293.479 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA GLU A 129 266.180 301.333 290.265 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA THR A 130 267.474 298.289 288.375 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA GLY A 131 270.522 296.067 287.836 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA GLU A 132 270.504 292.554 289.310 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ALA A 133 270.923 288.771 289.489 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA VAL A 134 270.982 285.620 287.348 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA LYS A 135 268.079 284.309 285.258 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA GLN A 136 267.409 286.484 282.202 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA LYS A 137 269.935 288.116 279.863 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA ALA A 138 271.677 291.478 279.444 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA GLN A 139 273.788 293.386 281.978 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA ASP A 140 273.241 297.084 281.242 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA ALA A 141 276.321 298.858 282.613 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA ALA A 142 280.039 299.219 281.860 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA GLN A 143 281.169 302.513 280.315 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA TYR A 144 278.362 303.871 278.126 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA THR A 145 275.483 306.230 277.310 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA LYS A 146 273.109 304.915 274.636 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA GLU A 147 269.460 305.059 273.551 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA THR A 148 268.723 308.740 272.896 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA ALA A 149 269.534 311.386 275.515 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA GLN A 150 270.236 314.893 274.203 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA ASN A 151 268.376 317.199 271.807 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA ALA A 152 270.001 318.019 268.460 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA ALA A 153 273.005 319.225 266.450 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA GLN A 154 275.305 318.288 263.561 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA TYR A 155 275.387 315.757 260.715 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA THR A 156 276.154 312.852 258.372 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA LYS A 157 278.272 314.382 255.599 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA ARG A 158 279.611 317.932 255.948 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA LYS A 159 283.008 318.916 254.531 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA ARG A 160 286.063 316.706 255.077 1.00 0.00 C
|
| 163 |
+
TER 161 ARG A 160
|
| 164 |
+
END
|
Plants/Q5NKI5/Q5NKI5.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:6cde5810a5b55b85ba54fc61169bc54d52cad84debc1bfab27e148a193df3ae4
|
| 3 |
+
size 7520276
|
Plants/Q5NKI5/top.pdb
ADDED
|
@@ -0,0 +1,60 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA LEU A 1 240.979 257.349 230.215 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ARG A 2 237.649 256.450 228.598 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA SER A 3 235.034 257.352 225.978 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LEU A 4 231.648 255.711 225.380 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA TYR A 5 229.027 256.797 222.836 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLN A 6 225.532 255.666 223.848 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 222.798 255.589 226.500 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLN A 8 222.234 254.449 230.091 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLN A 9 222.882 250.966 231.494 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLN A 10 225.858 249.149 229.960 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLN A 11 227.457 250.039 226.619 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLN A 12 229.755 247.117 225.782 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LYS A 13 233.468 247.774 225.239 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLN A 14 235.415 246.429 228.225 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA PRO A 15 237.915 247.867 230.715 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLN A 16 239.833 249.914 233.292 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 239.031 250.597 236.954 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA THR A 18 237.194 247.526 238.262 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA THR A 19 238.409 244.173 239.600 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA THR A 20 237.672 240.886 241.381 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LEU A 21 237.071 239.840 244.995 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 238.232 241.516 248.214 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 238.143 240.731 251.941 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA SER A 24 236.113 239.123 254.735 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASN A 25 233.586 236.362 254.022 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA SER A 26 232.347 234.991 250.690 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 233.635 232.703 247.929 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASP A 28 236.529 231.526 245.748 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LEU A 29 239.539 230.998 248.024 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASP A 30 240.253 232.289 251.537 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 243.773 231.781 252.902 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLN A 32 247.111 232.831 251.393 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PHE A 33 247.193 236.615 251.827 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ALA A 34 248.534 240.157 252.245 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ASN A 35 250.567 242.908 253.922 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LEU A 36 252.977 245.619 255.090 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 252.800 249.357 255.805 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA LEU A 38 256.272 250.415 256.962 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA LYS A 39 258.394 253.424 255.983 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA HIS A 40 258.710 255.585 259.105 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA LYS A 41 262.333 256.442 259.916 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ASP A 42 263.615 254.579 262.982 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA PRO A 43 267.338 255.365 263.181 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASN A 44 270.240 257.093 264.944 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 272.498 258.507 267.668 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 275.623 258.405 269.846 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA PRO A 47 278.860 259.130 271.718 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LEU A 48 279.368 262.906 271.716 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ARG A 49 281.686 264.883 269.428 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA THR A 50 284.520 266.138 271.643 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLN A 51 284.900 266.644 275.400 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA SER A 52 285.902 265.485 278.889 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA SER A 53 286.016 265.557 282.697 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA SER A 54 289.355 264.074 283.779 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ILE A 55 292.813 263.583 282.256 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA LEU A 56 293.362 260.641 279.899 1.00 0.00 C
|
| 59 |
+
TER 57 LEU A 56
|
| 60 |
+
END
|
Plants/Q5Q032/Q5Q032.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:0c3ddd0d19bbd2e705de8de6e709f0a08621e92c78c8aa395374ffa7ff44d795
|
| 3 |
+
size 21080276
|
Plants/Q5Q032/top.pdb
ADDED
|
@@ -0,0 +1,173 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 301.793 227.685 268.553 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 305.387 226.420 268.545 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA SER A 3 308.363 224.232 269.480 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA HIS A 4 310.253 225.129 272.664 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLN A 5 309.901 226.135 276.322 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLU A 6 312.705 224.315 278.149 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 316.253 225.298 277.169 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 318.258 227.551 274.840 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA TYR A 9 317.144 230.895 273.394 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA LYS A 10 314.056 232.591 274.844 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 311.113 232.938 277.238 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 307.437 233.859 276.838 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLU A 13 305.582 236.292 274.567 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA THR A 14 306.577 235.752 270.929 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LYS A 15 310.252 236.583 270.367 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 311.348 239.555 268.249 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LYS A 17 312.362 242.445 265.983 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA THR A 18 309.378 244.546 264.887 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLN A 19 307.011 244.731 261.907 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLU A 20 303.532 243.224 261.530 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LYS A 21 303.743 239.446 261.089 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA THR A 22 302.036 237.668 258.184 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 302.073 239.244 254.716 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLU A 24 299.674 240.207 251.917 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 299.012 239.042 248.350 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LEU A 26 297.629 237.174 245.332 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 296.392 234.088 243.470 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA THR A 28 293.383 231.831 242.865 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA MET A 29 289.595 231.474 242.661 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 285.928 230.704 241.971 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLU A 31 284.512 227.170 241.827 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LYS A 32 281.108 225.460 241.886 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA THR A 33 279.336 224.462 245.108 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLU A 34 280.955 221.194 246.212 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ALA A 35 278.122 218.647 246.204 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 278.951 214.944 246.544 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA LYS A 37 279.791 211.271 245.977 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASP A 38 279.630 209.065 242.875 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA LYS A 39 277.473 209.149 239.735 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA THR A 40 275.334 206.155 238.749 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLN A 41 276.406 202.656 239.808 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLU A 42 273.439 200.266 239.740 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA THR A 43 270.227 202.228 240.332 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ALA A 44 268.121 202.656 237.186 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLN A 45 265.900 205.650 237.973 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 265.081 209.265 238.855 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ALA A 47 264.443 212.995 239.298 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLN A 48 266.630 215.240 241.464 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLN A 49 265.675 217.867 244.053 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LYS A 50 264.046 220.517 246.253 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ALA A 51 262.168 220.031 249.532 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA HIS A 52 260.662 220.077 253.032 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLU A 53 256.864 220.363 253.097 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA THR A 54 254.091 222.953 253.448 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ALA A 55 252.129 225.709 251.695 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLN A 56 249.765 228.388 250.373 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA SER A 57 247.879 230.333 247.695 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ALA A 58 250.359 231.934 245.287 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LYS A 59 250.831 235.701 245.616 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ASP A 60 247.640 237.601 246.464 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA LYS A 61 244.686 239.372 244.835 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA THR A 62 242.461 240.361 241.905 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA SER A 63 239.706 240.397 239.272 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLN A 64 241.086 239.027 235.996 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ALA A 65 242.342 235.478 235.410 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ALA A 66 241.219 234.011 232.078 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLN A 67 243.597 233.080 229.250 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA THR A 68 244.120 234.667 225.826 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA THR A 69 247.861 235.149 225.289 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLN A 70 249.003 237.804 227.772 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA LYS A 71 251.655 236.882 230.347 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA LYS A 72 252.761 236.692 233.988 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ALA A 73 253.401 233.478 235.931 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLU A 74 250.115 232.320 237.474 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLU A 75 248.268 229.077 238.239 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA SER A 76 248.275 225.596 239.788 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA LYS A 77 245.594 222.889 239.744 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ASP A 78 242.747 221.286 241.703 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA LYS A 79 239.290 222.852 241.363 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA THR A 80 236.764 224.230 243.860 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLY A 81 234.037 226.391 245.414 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA SER A 82 233.097 230.004 244.655 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA TYR A 83 233.115 232.626 241.891 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA MET A 84 233.965 234.361 238.607 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA SER A 85 231.300 233.376 236.068 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA GLU A 86 227.982 234.643 237.446 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA THR A 87 224.536 236.170 236.892 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA GLY A 88 221.257 237.652 235.640 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA GLU A 89 220.387 240.562 237.941 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA THR A 90 220.782 244.040 239.445 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ILE A 91 220.375 247.282 241.404 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA LYS A 92 220.558 248.563 244.987 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ASN A 93 217.321 249.498 246.766 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA LYS A 94 213.677 249.407 245.655 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA ALA A 95 210.075 249.705 244.451 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLN A 96 209.706 250.654 240.780 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA ASP A 97 206.264 249.599 239.531 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA THR A 98 203.593 251.397 241.567 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ALA A 99 204.585 254.887 242.729 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA GLU A 100 205.751 257.082 239.842 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA TYR A 101 207.132 260.518 240.736 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA THR A 102 207.701 262.749 243.772 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA LYS A 103 209.760 265.544 245.341 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLU A 104 210.560 269.137 244.361 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA THR A 105 209.689 271.367 241.396 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ALA A 106 211.753 274.222 239.946 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLU A 107 215.023 274.225 237.991 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA ALA A 108 217.504 276.317 235.994 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA GLY A 109 219.757 274.406 233.587 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA LYS A 110 223.055 273.117 232.183 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA ASP A 111 222.398 270.169 229.861 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA LYS A 112 224.556 269.120 226.901 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA THR A 113 226.315 272.223 225.562 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA SER A 114 224.241 275.325 224.793 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLY A 115 225.589 278.679 223.588 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ILE A 116 227.044 280.993 220.934 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA LEU A 117 227.618 284.746 221.251 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLY A 118 225.060 286.764 223.226 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLN A 119 222.478 289.546 223.556 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA THR A 120 218.811 288.639 224.052 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA GLY A 121 217.675 285.009 224.269 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA GLU A 122 217.162 281.236 224.399 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLN A 123 217.471 277.866 226.149 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA VAL A 124 216.087 278.080 229.692 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA LYS A 125 214.587 280.918 231.745 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA GLN A 126 216.087 284.233 232.874 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA MET A 127 217.677 287.090 230.917 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA ALA A 128 215.650 290.305 231.186 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA MET A 129 217.862 293.090 232.551 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA GLY A 130 220.564 291.818 234.917 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA ALA A 131 222.873 293.149 237.639 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA THR A 132 222.999 295.984 240.182 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ASP A 133 225.751 296.602 242.744 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA ALA A 134 226.969 299.465 244.943 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA VAL A 135 227.486 297.930 248.391 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA LYS A 136 230.314 298.710 250.822 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA GLN A 137 232.402 295.993 252.488 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA THR A 138 233.911 293.909 255.298 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA LEU A 139 234.643 291.284 257.961 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA GLY A 140 231.257 290.001 259.148 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA LEU A 141 231.421 287.133 261.650 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA GLY A 142 232.372 287.383 265.331 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA THR A 143 232.120 288.147 269.055 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA ASP A 144 229.419 288.330 271.736 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA GLU A 145 227.656 284.954 271.834 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA GLY A 146 230.179 282.253 270.911 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA ASN A 147 232.565 280.733 273.464 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA LYS A 148 235.161 277.946 273.366 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA GLU A 149 236.873 274.563 273.738 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA HIS A 150 237.923 271.053 272.692 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA GLY A 151 235.843 268.108 273.924 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA SER A 152 235.269 267.024 277.531 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA SER A 153 236.794 268.838 280.514 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA ALA A 154 237.283 271.076 283.558 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA PRO A 155 235.550 271.523 286.922 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA ASP A 156 235.670 268.308 288.964 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA THR A 157 236.931 264.747 289.453 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA THR A 158 239.985 263.926 287.328 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA THR A 159 238.868 262.533 283.962 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA SER A 160 239.288 262.427 280.177 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA ALA A 161 240.907 259.475 278.395 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA THR A 162 244.166 260.497 276.707 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA THR A 163 244.481 264.090 275.478 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA HIS A 164 247.460 266.443 275.158 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA ALA A 165 248.811 269.293 273.020 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA THR A 166 252.205 270.677 274.059 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA GLN A 167 253.402 268.401 276.870 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA ARG A 168 256.468 267.662 279.010 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA LYS A 169 256.404 268.436 282.740 1.00 0.00 C
|
| 172 |
+
TER 170 LYS A 169
|
| 173 |
+
END
|
Plants/Q5QET7/Q5QET7.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:1add90b553ed3e3006e324b9b0287e8915b7074059ac859550ba189136f42622
|
| 3 |
+
size 5720276
|
Plants/Q5QET7/top.pdb
ADDED
|
@@ -0,0 +1,45 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA THR A 1 263.393 215.415 260.077 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA THR A 2 264.152 217.365 256.892 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLN A 3 266.998 218.199 254.501 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASN A 4 267.193 220.183 251.254 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLN A 5 269.755 222.985 250.928 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA THR A 6 268.188 225.693 248.754 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA THR A 7 264.731 226.862 249.849 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ARG A 8 264.798 230.173 251.733 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLU A 9 267.068 232.722 250.040 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ASP A 10 266.418 235.786 247.870 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLN A 11 263.413 237.133 245.953 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 264.599 237.539 242.355 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASN A 13 262.299 240.162 240.826 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLN A 14 258.797 241.309 239.855 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ILE A 15 256.959 244.518 240.772 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 253.154 244.693 240.862 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LYS A 17 251.730 248.215 240.573 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASP A 18 251.531 249.422 244.181 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ILE A 19 250.750 249.334 247.909 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ASN A 20 251.562 249.650 251.618 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA VAL A 21 251.162 249.767 255.405 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA THR A 22 247.675 248.719 256.525 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ASP A 23 244.480 246.804 255.722 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LEU A 24 243.595 247.566 252.095 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLN A 25 243.177 249.973 249.172 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 243.977 252.839 246.791 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA LEU A 27 243.509 255.050 243.724 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA THR A 28 240.513 257.251 244.555 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLU A 29 238.960 259.858 246.860 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA SER A 30 235.588 260.910 248.288 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLU A 31 234.583 263.207 251.158 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 231.779 265.493 252.350 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA SER A 33 231.653 269.234 253.061 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ILE A 34 235.114 270.180 254.344 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA THR A 35 238.607 271.382 253.410 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASN A 36 239.076 275.019 254.442 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ASN A 37 237.715 278.338 253.156 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA SER A 38 235.513 281.340 252.348 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASN A 39 234.515 284.320 254.502 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA LYS A 40 235.342 285.835 257.899 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLN A 41 235.978 289.557 257.392 1.00 0.00 C
|
| 44 |
+
TER 42 GLN A 41
|
| 45 |
+
END
|
Plants/Q5QET9/Q5QET9.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:571ae65e99ffeabf7988f3a0696e7a29c2c447409fc5ac35f874e155fcdca613
|
| 3 |
+
size 5000276
|
Plants/Q5QET9/top.pdb
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 244.244 248.118 223.174 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLN A 2 244.635 251.618 224.627 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PRO A 3 246.902 254.053 226.484 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PRO A 4 249.070 256.793 228.004 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA SER A 5 251.012 259.860 226.848 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 250.851 263.160 228.744 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LEU A 7 252.255 263.781 232.231 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA TYR A 8 253.892 263.898 235.669 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 254.165 261.890 238.895 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 253.025 258.975 241.069 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 249.685 257.761 239.696 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ASN A 12 248.063 255.348 242.157 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA MET A 13 248.428 251.981 243.903 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ALA A 14 249.753 248.443 243.408 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 248.839 244.754 243.678 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ASN A 16 250.644 242.661 246.301 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA TYR A 17 249.202 242.858 249.822 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASN A 18 247.388 243.466 253.117 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA PRO A 19 247.025 241.671 256.458 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA MET A 20 250.304 240.758 258.169 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA MET A 21 252.774 241.458 260.984 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 253.087 238.558 263.435 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA THR A 23 254.266 238.768 267.052 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 251.465 238.304 269.592 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 248.126 239.983 270.331 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA TYR A 26 247.380 243.625 271.166 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA PRO A 27 245.947 245.587 268.232 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLN A 28 245.233 246.155 264.532 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ARG A 29 246.166 248.018 261.342 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA PRO A 30 249.411 246.474 260.075 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA TYR A 31 252.378 248.864 260.068 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 254.257 250.801 262.757 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA SER A 33 254.918 254.260 264.211 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA TYR A 34 252.778 257.226 263.142 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 252.429 260.071 260.632 1.00 0.00 C
|
| 38 |
+
TER 36 ARG A 35
|
| 39 |
+
END
|
Plants/Q5QIC0/Q5QIC0.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
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|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:46ed57e2d7ce8acf4ebb6192bb6d13156d7ef4d0506f30657dc6e7d46ce5c33b
|
| 3 |
+
size 37560276
|
Plants/Q5QIC0/top.pdb
ADDED
|
@@ -0,0 +1,206 @@
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 245.495 303.612 291.646 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 248.188 302.969 289.028 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA SER A 3 251.832 302.517 290.046 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA TYR A 4 254.634 300.682 291.861 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLU A 5 257.639 298.459 292.598 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LYS A 6 259.289 298.968 295.994 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 258.464 301.804 298.401 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA TYR A 8 260.551 304.922 299.062 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLY A 9 260.611 308.682 299.674 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 260.793 311.826 301.818 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA THR A 11 260.893 314.853 299.506 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 258.703 315.234 296.412 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA THR A 13 259.155 313.850 292.891 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ASP A 14 260.103 313.099 289.278 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLU A 15 259.493 309.510 288.153 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA TYR A 16 257.274 307.277 286.007 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLY A 17 253.857 308.928 285.668 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASN A 18 251.959 307.181 282.864 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA PRO A 19 252.921 303.721 281.592 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ILE A 20 254.216 300.509 283.182 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 251.956 297.898 284.792 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ARG A 22 253.612 294.468 284.680 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA THR A 23 254.650 292.715 287.899 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ASP A 24 252.429 290.622 290.181 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLU A 25 250.726 287.505 288.803 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA TYR A 26 249.320 285.120 291.420 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 250.921 286.100 294.735 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASN A 28 248.887 287.134 297.786 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA PRO A 29 248.533 290.806 298.738 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LEU A 30 250.917 293.546 299.889 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLY A 31 249.220 296.824 298.945 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA HIS A 32 248.183 300.485 298.755 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA HIS A 33 247.311 303.453 300.979 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA THR A 34 248.153 303.125 304.681 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA THR A 35 245.199 301.709 306.627 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA THR A 36 241.613 302.662 305.762 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA THR A 37 239.358 305.153 303.967 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 236.730 305.033 301.211 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA THR A 39 235.911 302.826 298.215 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA THR A 40 238.686 302.919 295.606 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ALA A 41 241.876 301.377 297.008 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ALA A 42 242.622 298.143 298.878 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA THR A 43 241.031 295.426 296.732 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA THR A 44 239.577 292.936 294.242 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 236.480 293.103 292.028 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ALA A 46 233.158 294.175 290.501 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLY A 47 233.463 295.260 286.861 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLY A 48 234.555 293.365 283.741 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA TYR A 49 234.624 292.126 280.139 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 237.498 293.886 278.362 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA PRO A 51 237.965 292.227 274.964 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA HIS A 52 237.061 293.634 271.540 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASP A 53 236.562 290.904 268.929 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA PHE A 54 233.245 290.321 267.148 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ALA A 55 230.573 287.949 268.472 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ALA A 56 230.490 284.658 270.389 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA THR A 57 231.383 281.956 267.856 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA THR A 58 230.271 281.160 264.300 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA VAL A 59 231.243 278.836 261.442 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ALA A 60 233.829 279.506 258.725 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLY A 61 233.725 277.238 255.665 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLN A 62 234.497 274.965 252.707 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLY A 63 234.650 271.622 250.887 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLN A 64 234.030 271.232 247.148 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLY A 65 236.957 272.878 245.349 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA VAL A 66 240.059 270.850 246.230 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA HIS A 67 242.495 267.989 246.861 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 243.612 268.161 250.500 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA HIS A 69 240.872 268.828 253.063 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ASP A 70 241.183 267.509 256.624 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA TYR A 71 244.461 265.899 257.712 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ASP A 72 247.635 266.178 255.622 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ARG A 73 249.601 262.922 255.838 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA LYS A 74 250.652 260.030 253.591 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLY A 75 247.796 258.447 251.629 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA HIS A 76 246.473 254.874 251.628 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA HIS A 77 247.091 252.204 254.275 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLY A 78 244.111 249.914 254.900 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA VAL A 79 240.912 248.637 256.528 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA THR A 80 237.715 249.622 254.705 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLY A 81 235.553 246.769 253.399 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ALA A 82 234.398 244.502 256.235 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA VAL A 83 234.640 245.212 259.970 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA LEU A 84 235.201 248.951 260.445 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA HIS A 85 237.185 251.621 262.302 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ARG A 86 240.901 252.409 262.007 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA SER A 87 243.057 253.632 264.901 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA GLY A 88 246.792 253.514 264.154 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA SER A 89 248.949 254.955 261.363 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA SER A 90 251.754 254.871 258.787 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA SER A 91 255.137 254.919 257.036 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA SER A 92 257.135 258.003 256.029 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA SER A 93 260.026 257.744 253.560 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA SER A 94 259.031 255.273 250.836 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA SER A 95 259.520 257.012 247.482 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLU A 96 262.047 256.114 244.775 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA ASP A 97 262.648 252.438 243.977 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ASP A 98 262.288 248.924 245.406 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLY A 99 262.224 245.650 247.353 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA LEU A 100 265.331 245.761 249.555 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLY A 101 264.150 246.452 253.110 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLY A 102 262.432 247.825 256.222 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA ARG A 103 258.961 249.150 255.376 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA ARG A 104 257.193 246.430 253.378 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA LYS A 105 258.171 242.766 253.741 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA LYS A 106 259.567 240.050 256.019 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA LYS A 107 260.409 236.361 255.567 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA GLY A 108 262.231 234.214 258.133 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA LEU A 109 261.071 230.870 259.543 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA LYS A 110 257.342 231.189 260.254 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA GLU A 111 255.089 231.428 257.191 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA LYS A 112 253.077 228.193 257.202 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA VAL A 113 250.138 226.161 255.878 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA LYS A 114 247.451 224.341 257.874 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLU A 115 244.135 222.729 256.918 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA LYS A 116 240.910 222.548 254.897 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA LEU A 117 241.438 220.386 251.804 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA PRO A 118 242.751 216.951 252.801 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLY A 119 241.918 213.340 251.919 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA GLY A 120 242.414 209.574 252.214 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA THR A 121 245.828 208.555 253.565 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA LYS A 122 248.952 207.536 251.637 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA THR A 123 250.156 210.062 249.051 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA ASP A 124 249.823 210.899 245.349 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA THR A 125 249.303 209.016 242.078 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA THR A 126 251.833 210.127 239.456 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA TYR A 127 253.129 213.611 238.616 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA GLY A 128 253.885 216.935 236.915 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA GLY A 129 252.895 216.532 233.258 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA THR A 130 249.097 216.801 233.113 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA GLY A 131 247.549 214.413 230.580 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA THR A 132 249.449 212.627 227.802 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA THR A 133 249.542 208.851 227.305 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA GLY A 134 250.409 206.535 224.406 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA GLN A 135 252.193 203.393 225.617 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA HIS A 136 254.399 200.806 223.899 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA HIS A 137 255.658 201.546 220.380 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA GLN A 138 256.191 201.601 216.608 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA GLU A 139 255.186 204.942 215.078 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA LYS A 140 251.430 204.870 214.442 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA GLY A 141 249.955 208.374 214.689 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA THR A 142 247.620 210.044 217.194 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA MET A 143 244.196 210.747 218.708 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA ASP A 144 240.626 211.196 219.963 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA LYS A 145 238.102 212.275 217.320 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA ILE A 146 237.951 213.047 213.593 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA LYS A 147 240.542 215.752 212.894 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA GLU A 148 240.776 218.749 210.553 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA LYS A 149 238.125 218.144 207.885 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA LEU A 150 236.478 216.855 204.700 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA PRO A 151 238.157 216.338 201.319 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA GLY A 152 237.909 219.116 198.724 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA THR A 153 237.354 222.050 196.358 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA GLY A 154 239.493 224.956 197.580 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA GLY A 155 242.953 224.869 195.988 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA HIS A 156 245.834 222.931 197.557 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA ARG A 157 245.212 220.980 200.770 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA ALA A 158 247.575 220.556 203.728 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA ASP A 159 247.765 216.879 204.705 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA ASP A 160 244.840 215.238 202.897 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA PRO A 161 245.683 212.901 200.008 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA TYR A 162 246.294 209.302 201.097 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA PRO A 163 245.666 205.716 199.973 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA SER A 164 248.573 204.867 197.661 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA GLN A 165 249.308 207.843 195.399 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA THR A 166 249.379 210.826 193.029 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA HIS A 167 251.776 213.452 194.398 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA THR A 168 251.774 217.174 195.209 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA THR A 169 253.228 220.662 195.696 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA ALA A 170 253.614 223.497 198.213 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA THR A 171 251.545 225.376 200.802 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA THR A 172 253.493 228.202 202.455 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA THR A 173 252.512 230.998 204.850 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA PRO A 174 255.209 231.410 207.509 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA TYR A 175 257.114 230.531 210.689 1.00 0.00 C
|
| 178 |
+
ATOM 176 CA GLY A 176 258.365 229.008 213.950 1.00 0.00 C
|
| 179 |
+
ATOM 177 CA GLY A 177 256.565 225.746 214.746 1.00 0.00 C
|
| 180 |
+
ATOM 178 CA THR A 178 257.167 222.122 213.739 1.00 0.00 C
|
| 181 |
+
ATOM 179 CA ALA A 179 259.791 220.327 215.839 1.00 0.00 C
|
| 182 |
+
ATOM 180 CA TYR A 180 259.486 217.328 218.169 1.00 0.00 C
|
| 183 |
+
ATOM 181 CA THR A 181 260.240 214.522 220.634 1.00 0.00 C
|
| 184 |
+
ATOM 182 CA GLU A 182 259.117 211.086 221.837 1.00 0.00 C
|
| 185 |
+
ATOM 183 CA GLU A 183 255.446 210.161 222.264 1.00 0.00 C
|
| 186 |
+
ATOM 184 CA HIS A 184 252.769 212.674 221.247 1.00 0.00 C
|
| 187 |
+
ATOM 185 CA GLN A 185 251.967 216.213 222.407 1.00 0.00 C
|
| 188 |
+
ATOM 186 CA GLU A 186 254.575 217.743 224.725 1.00 0.00 C
|
| 189 |
+
ATOM 187 CA LYS A 187 254.257 221.522 225.089 1.00 0.00 C
|
| 190 |
+
ATOM 188 CA LYS A 188 257.358 222.970 226.762 1.00 0.00 C
|
| 191 |
+
ATOM 189 CA GLY A 189 258.732 220.267 229.069 1.00 0.00 C
|
| 192 |
+
ATOM 190 CA ILE A 190 260.407 219.521 232.409 1.00 0.00 C
|
| 193 |
+
ATOM 191 CA MET A 191 263.475 217.346 233.017 1.00 0.00 C
|
| 194 |
+
ATOM 192 CA ASP A 192 265.977 215.448 230.860 1.00 0.00 C
|
| 195 |
+
ATOM 193 CA LYS A 193 269.636 216.451 231.210 1.00 0.00 C
|
| 196 |
+
ATOM 194 CA ILE A 194 271.910 217.406 234.114 1.00 0.00 C
|
| 197 |
+
ATOM 195 CA LYS A 195 274.844 217.781 236.515 1.00 0.00 C
|
| 198 |
+
ATOM 196 CA GLU A 196 278.319 219.320 236.785 1.00 0.00 C
|
| 199 |
+
ATOM 197 CA LYS A 197 279.416 221.273 233.703 1.00 0.00 C
|
| 200 |
+
ATOM 198 CA LEU A 198 279.107 220.278 230.039 1.00 0.00 C
|
| 201 |
+
ATOM 199 CA PRO A 199 281.691 218.832 227.641 1.00 0.00 C
|
| 202 |
+
ATOM 200 CA GLY A 200 284.440 216.813 229.339 1.00 0.00 C
|
| 203 |
+
ATOM 201 CA GLN A 201 285.003 217.524 233.039 1.00 0.00 C
|
| 204 |
+
ATOM 202 CA HIS A 202 287.308 219.924 234.896 1.00 0.00 C
|
| 205 |
+
TER 203 HIS A 202
|
| 206 |
+
END
|
Plants/Q5QL96/Q5QL96.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9060b1e44e661463779398400fc8ae6672038e6d97ea469c902507857c528d68
|
| 3 |
+
size 7280276
|
Plants/Q5QL96/top.pdb
ADDED
|
@@ -0,0 +1,58 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 246.744 271.262 237.447 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 249.597 271.548 239.956 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLY A 3 251.823 269.737 242.462 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLN A 4 255.271 268.134 242.696 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ALA A 5 256.837 268.437 246.157 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLU A 6 260.150 270.272 246.573 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA TRP A 7 261.547 273.238 248.514 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLY A 8 259.825 275.904 250.622 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 260.169 275.642 254.408 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA HIS A 10 263.480 274.313 255.744 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 266.712 273.102 254.130 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 268.257 269.635 253.799 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA PRO A 13 271.675 269.852 252.130 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 275.363 270.583 252.748 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLU A 15 277.229 267.267 252.542 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ALA A 16 280.081 265.965 254.706 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA MET A 17 282.373 263.210 255.999 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA HIS A 18 282.723 259.617 257.218 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ASP A 19 281.798 256.278 255.633 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 279.775 253.644 253.766 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLY A 21 276.785 251.541 254.841 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLU A 22 274.740 248.901 253.008 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA VAL A 23 271.197 248.791 254.403 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ASP A 24 271.525 249.414 258.148 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA VAL A 25 268.660 248.734 260.566 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LYS A 26 265.367 246.820 260.501 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLU A 27 261.862 246.376 259.073 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 259.985 243.065 259.251 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 256.709 241.137 259.510 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 253.463 241.831 257.639 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLY A 31 251.784 245.106 256.656 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA PRO A 32 249.543 244.938 253.580 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLY A 33 246.075 246.403 252.992 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA CYS A 34 246.312 249.221 250.439 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA SER A 35 243.654 251.933 250.751 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLU A 36 240.490 250.807 252.550 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA PRO A 37 238.338 248.638 250.274 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 236.250 247.117 247.474 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLU A 39 235.074 243.634 248.476 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLY A 40 233.501 240.185 248.087 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ALA A 41 230.401 240.268 250.300 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ASP A 42 227.507 237.791 250.383 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLY A 43 224.599 235.579 249.304 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 222.799 232.390 248.250 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLU A 45 223.893 229.761 245.719 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 226.092 226.853 244.612 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLU A 47 226.630 227.034 240.845 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ALA A 48 223.520 226.300 238.771 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ALA A 49 220.002 224.847 238.589 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LYS A 50 216.576 224.932 236.926 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA THR A 51 214.797 221.774 238.100 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA THR A 52 213.205 222.092 241.546 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA VAL A 53 209.469 222.390 240.861 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ALA A 54 207.766 225.756 240.327 1.00 0.00 C
|
| 57 |
+
TER 55 ALA A 54
|
| 58 |
+
END
|
Plants/Q5QL97/Q5QL97.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:4353cdd0efd9186208063704ada36bf844d84f6f19fc9468e917be3cf060ea3b
|
| 3 |
+
size 7040276
|
Plants/Q5QL97/top.pdb
ADDED
|
@@ -0,0 +1,56 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 240.844 241.411 243.925 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA VAL A 2 237.179 242.450 243.832 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLY A 3 234.040 241.803 245.892 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 233.386 244.065 248.887 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 231.228 247.009 249.976 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 227.724 247.056 251.473 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 225.014 248.650 253.625 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLU A 8 223.436 252.098 253.254 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ASP A 9 222.511 255.480 251.762 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 223.026 259.234 252.158 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 222.394 261.129 255.403 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 225.275 261.928 257.764 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 226.593 258.574 259.003 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLY A 14 225.011 255.219 259.872 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 226.616 251.778 259.552 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ALA A 16 229.532 249.984 257.880 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 232.267 252.492 257.015 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 232.148 253.520 253.348 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA PRO A 19 232.808 255.771 250.346 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA LEU A 20 234.183 253.615 247.522 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ASP A 21 236.924 251.335 248.866 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA MET A 22 240.563 251.531 247.756 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ILE A 23 244.271 251.553 246.882 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 247.262 250.087 248.733 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA SER A 25 250.377 248.258 247.521 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 254.066 248.933 246.848 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA SER A 27 256.102 251.600 245.043 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 259.412 250.511 243.503 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA VAL A 29 261.113 253.382 241.664 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 263.694 252.586 238.977 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLY A 31 264.600 254.178 235.636 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLU A 32 267.160 252.741 233.207 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ALA A 33 269.436 249.833 232.273 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 271.176 247.548 234.777 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ALA A 35 270.508 243.833 235.295 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 268.739 240.493 235.778 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 266.484 238.419 238.043 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 264.522 239.991 240.905 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 261.459 241.298 242.756 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLY A 40 261.486 241.833 246.528 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 261.453 243.663 249.870 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 260.623 242.412 253.371 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ARG A 43 260.836 245.439 255.675 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 263.651 247.491 257.218 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 267.328 248.399 256.796 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 268.688 251.869 257.587 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLY A 47 271.437 251.743 260.221 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA SER A 48 273.738 249.741 262.504 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLY A 49 275.706 252.371 264.435 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLY A 50 276.967 255.870 263.610 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 278.468 258.372 266.060 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA TRP A 52 276.536 259.424 269.172 1.00 0.00 C
|
| 55 |
+
TER 53 TRP A 52
|
| 56 |
+
END
|
Plants/Q5QLL1/Q5QLL1.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:c2a84ef9fad8d07750d021df9703ffd37cfe3ebc72d13d17bb3659390dbad3c5
|
| 3 |
+
size 20120276
|
Plants/Q5QLL1/top.pdb
ADDED
|
@@ -0,0 +1,165 @@
|
|
|
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|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 302.554 254.239 257.239 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LEU A 2 299.864 252.566 259.357 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ILE A 3 299.674 250.437 262.511 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 296.230 249.265 263.641 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA THR A 5 292.808 250.610 264.639 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ILE A 6 289.356 252.222 264.686 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA VAL A 7 286.283 249.970 264.688 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLY A 8 284.138 246.822 264.600 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 281.092 247.673 266.724 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 278.552 246.139 269.113 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 275.423 244.472 267.718 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA TRP A 12 272.276 242.450 268.445 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA PRO A 13 269.263 240.127 268.249 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA HIS A 14 266.196 242.375 268.480 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ARG A 15 266.167 244.403 271.705 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PRO A 16 267.467 245.863 274.975 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 265.527 246.138 278.243 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 262.888 248.347 279.879 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA HIS A 19 259.590 246.708 278.903 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 256.159 246.829 280.556 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 252.543 246.506 279.402 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LEU A 22 249.773 248.881 278.304 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA PRO A 23 246.363 250.364 279.131 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ARG A 24 243.781 249.442 281.777 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 242.131 251.038 284.817 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ARG A 26 243.399 254.326 286.265 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 244.928 255.731 289.459 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA THR A 28 247.280 256.911 292.215 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ALA A 29 248.003 258.596 295.555 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA VAL A 30 250.440 257.038 298.034 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ALA A 31 253.601 256.417 300.069 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA PRO A 32 256.708 254.625 301.353 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 260.299 255.362 300.315 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ILE A 34 263.029 255.378 297.657 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ALA A 35 261.770 252.939 295.015 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 262.542 249.911 292.835 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA HIS A 37 263.296 246.638 291.037 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 264.231 246.781 287.346 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA HIS A 39 265.038 244.385 284.496 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA LEU A 40 268.701 244.555 283.461 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA THR A 41 271.979 246.382 284.122 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA LEU A 42 271.663 248.173 287.470 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA LEU A 43 268.940 250.778 286.908 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLY A 44 268.565 254.544 287.350 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ARG A 45 267.859 257.876 285.643 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ALA A 46 268.076 261.437 284.304 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ALA A 47 268.622 265.011 283.104 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ALA A 48 270.245 266.234 279.881 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLN A 49 272.206 264.245 277.290 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA PRO A 50 273.257 265.245 273.767 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ARG A 51 273.806 266.897 270.378 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA PRO A 52 274.865 270.414 269.367 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA HIS A 53 272.461 272.678 267.466 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLN A 54 270.363 270.691 264.983 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PRO A 55 266.559 270.889 264.913 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA PRO A 56 264.401 270.416 268.017 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA PRO A 57 261.567 270.675 270.550 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 260.208 274.061 271.648 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 257.138 274.867 273.755 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ARG A 60 254.375 272.321 273.126 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA LEU A 61 251.782 269.538 272.895 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ALA A 62 251.871 268.483 269.236 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA PRO A 63 251.386 268.553 265.457 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 254.687 267.919 263.662 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 257.957 266.382 264.870 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA PRO A 66 259.173 263.735 262.415 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA HIS A 67 259.155 265.080 258.850 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA SER A 68 257.075 265.836 255.749 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ARG A 69 253.941 265.598 253.595 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLY A 70 250.348 265.095 254.759 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA PRO A 71 249.991 262.482 257.509 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA THR A 72 252.892 263.228 259.863 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA SER A 73 252.717 262.005 263.467 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ARG A 74 253.181 259.343 266.154 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ARG A 75 254.047 256.008 267.779 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ARG A 76 255.010 252.323 267.864 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ALA A 77 254.499 249.614 265.233 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ALA A 78 252.204 246.599 265.634 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ALA A 79 251.501 242.979 264.679 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA SER A 80 250.734 240.615 267.567 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA LEU A 81 251.017 236.873 266.909 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ARG A 82 250.522 236.276 263.179 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ARG A 83 253.821 236.460 261.282 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ARG A 84 255.595 233.520 259.631 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA HIS A 85 255.571 229.744 259.121 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA LEU A 86 257.111 228.520 255.858 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ALA A 87 259.390 225.565 256.623 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA PRO A 88 259.307 222.288 258.566 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA SER A 89 257.653 219.768 256.236 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA PRO A 90 254.134 219.590 254.786 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA PRO A 91 252.729 223.114 254.426 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA PRO A 92 251.321 225.940 256.557 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA GLY A 93 247.753 227.267 256.391 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ARG A 94 244.255 227.832 257.792 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA SER A 95 240.479 227.643 258.262 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ARG A 96 237.921 229.603 256.230 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA GLU A 97 235.602 232.581 256.749 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA GLY A 98 236.001 235.712 258.884 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA LYS A 99 239.359 237.154 259.958 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA GLU A 100 239.986 239.866 262.559 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLU A 101 238.333 242.483 264.781 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLU A 102 235.662 242.235 267.487 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA GLU A 103 231.903 242.547 268.019 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA ALA A 104 230.928 246.198 267.530 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA GLY A 105 229.155 246.670 264.191 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ILE A 106 228.039 245.983 260.613 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLY A 107 228.090 249.065 258.374 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA ARG A 108 228.709 249.492 254.639 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA GLY A 109 229.760 246.039 253.418 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA SER A 110 230.410 244.866 249.852 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA ARG A 111 231.276 246.643 246.595 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA GLU A 112 232.746 244.363 243.920 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA GLY A 113 232.945 241.262 241.716 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA LYS A 114 230.877 241.545 238.528 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLU A 115 232.161 244.065 235.976 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA GLU A 116 230.530 244.304 232.540 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA GLY A 117 231.192 243.361 228.909 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLU A 118 229.578 240.201 227.520 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLY A 119 226.923 238.262 225.594 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA PRO A 120 223.237 238.974 224.940 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA GLY A 121 221.979 239.005 221.344 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA GLU A 122 221.333 236.628 218.438 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLU A 123 222.610 237.416 214.936 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA GLY A 124 224.276 237.866 211.539 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ASP A 125 225.424 239.995 208.595 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA ILE A 126 224.409 242.579 205.987 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA GLU A 127 226.094 244.315 203.044 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA GLU A 128 227.000 246.270 199.902 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA ALA A 129 230.419 247.945 200.051 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA LEU A 130 232.581 250.099 202.333 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA GLU A 131 235.553 252.303 203.241 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA ALA A 132 235.988 254.302 206.455 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ASP A 133 238.849 256.458 207.752 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA THR A 134 241.603 256.779 210.365 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA GLU A 135 245.130 256.493 208.950 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ARG A 136 248.886 256.483 208.313 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA LEU A 137 250.991 259.473 207.241 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA LYS A 138 251.979 262.984 206.139 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA GLU A 139 249.261 264.990 204.377 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA GLU A 140 248.400 264.254 200.739 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA ARG A 141 246.193 261.332 199.688 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA LYS A 142 245.518 258.820 202.472 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA LYS A 143 243.324 255.735 202.902 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA ARG A 144 243.560 252.682 200.635 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA GLY A 145 240.640 252.092 198.259 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA GLY A 146 237.392 250.769 196.771 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA ALA A 147 233.905 251.001 195.253 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA LYS A 148 230.467 252.442 196.040 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA GLY A 149 227.170 254.079 197.023 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA MET A 150 225.205 256.503 194.836 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA GLY A 151 225.648 255.353 191.231 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA ARG A 152 228.426 256.610 188.946 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA SER A 153 229.995 257.846 185.702 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA TYR A 154 229.464 256.479 182.185 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA PHE A 155 229.907 252.724 181.719 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA HIS A 156 229.383 249.486 183.658 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA ALA A 157 229.485 245.687 183.924 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA GLU A 158 226.581 243.301 184.551 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA ASP A 159 223.176 241.798 183.736 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA ASN A 160 219.680 242.795 182.597 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA LEU A 161 219.465 243.231 178.818 1.00 0.00 C
|
| 164 |
+
TER 162 LEU A 161
|
| 165 |
+
END
|
Plants/Q5QLN2/Q5QLN2.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:3ac8db03755990a7700ec8602647faf9d68f5020773c4097db65e6828fe631c8
|
| 3 |
+
size 10760276
|
Plants/Q5QLN2/top.pdb
ADDED
|
@@ -0,0 +1,87 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 254.606 276.271 255.706 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 255.266 273.213 257.881 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 254.244 271.136 260.907 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 253.139 267.504 260.582 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ASP A 5 252.751 265.782 257.206 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ALA A 6 250.312 264.425 254.613 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA THR A 7 247.557 262.078 255.803 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ALA A 8 246.528 261.267 259.381 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA THR A 9 248.295 262.124 262.645 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 248.067 259.977 265.785 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLU A 11 248.057 258.723 269.383 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 249.105 257.744 272.912 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 250.945 255.568 275.442 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 253.364 255.483 278.385 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ASP A 15 254.669 258.836 279.636 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 256.025 262.388 279.386 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASP A 17 255.634 266.146 278.896 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ALA A 18 256.863 268.072 275.848 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 255.273 269.146 272.556 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA MET A 20 254.215 268.858 268.907 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLY A 21 254.369 265.385 267.348 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ARG A 22 253.863 261.608 267.319 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 255.117 258.399 265.692 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 252.445 255.915 264.595 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 252.738 252.861 262.336 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 253.564 252.089 258.697 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 256.439 249.780 257.739 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLY A 28 259.630 250.417 259.721 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LEU A 29 261.163 252.238 262.697 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ALA A 30 263.781 254.038 264.799 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 263.589 257.726 265.735 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 266.116 260.071 264.112 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASP A 33 269.043 259.200 261.835 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 270.648 257.983 258.600 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 269.454 258.004 254.982 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA THR A 36 268.100 254.837 253.353 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 264.537 254.669 252.014 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASN A 38 262.333 257.685 251.265 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 259.472 256.304 249.163 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ASP A 40 258.391 253.126 250.965 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ALA A 41 256.414 249.887 250.627 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ARG A 42 253.867 247.453 249.174 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA CYS A 43 253.364 243.919 247.843 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLY A 44 251.492 244.225 244.539 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 249.002 244.513 241.670 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 250.165 242.387 238.730 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ASP A 47 251.339 238.855 239.547 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LYS A 48 253.739 236.492 241.328 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA THR A 49 253.339 232.989 239.884 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 252.582 229.595 238.327 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ARG A 51 253.474 228.944 234.681 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 254.423 231.955 232.547 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA TRP A 53 254.895 235.729 232.327 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ARG A 54 254.382 239.074 230.576 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ASP A 55 257.055 239.329 227.873 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 257.887 242.328 225.676 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ASP A 57 255.365 244.056 223.403 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLY A 58 252.237 245.237 221.576 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 250.022 247.473 223.724 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ASP A 60 246.782 245.538 224.243 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA LYS A 61 246.980 241.963 225.547 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA THR A 62 245.214 239.583 227.941 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 242.183 238.707 230.076 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ARG A 64 240.763 240.961 232.800 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLY A 65 237.135 240.427 233.834 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLY A 66 233.591 239.098 234.271 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 229.931 239.893 234.970 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 229.014 242.382 237.706 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ARG A 69 226.597 244.675 239.553 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA LYS A 70 224.618 246.915 241.915 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ALA A 71 226.300 247.231 245.319 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ALA A 72 228.334 245.759 248.185 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ALA A 73 231.812 244.815 249.419 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLN A 74 234.252 244.076 246.587 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLN A 75 236.534 244.210 243.539 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ARG A 76 237.672 241.954 240.687 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ALA A 77 235.962 238.610 240.041 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ALA A 78 234.645 236.135 242.621 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ALA A 79 235.815 232.516 242.395 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA SER A 80 239.310 232.438 240.878 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ARG A 81 241.251 235.446 242.181 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ARG A 82 244.710 236.899 241.518 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA THR A 83 245.844 238.250 244.895 1.00 0.00 C
|
| 86 |
+
TER 84 THR A 83
|
| 87 |
+
END
|
Plants/Q5QLP8/Q5QLP8.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:a96d0806fce7bfa813e2b64f5dc22804c8d4e9e0713acba7f4d614a416d4d95b
|
| 3 |
+
size 13760276
|
Plants/Q5QLP8/top.pdb
ADDED
|
@@ -0,0 +1,112 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 237.482 259.700 277.119 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLU A 2 235.371 260.233 280.246 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA SER A 3 236.743 257.989 283.002 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 238.171 260.415 285.569 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA VAL A 5 236.370 261.975 288.542 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 232.844 262.436 289.911 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLY A 7 231.085 264.696 292.424 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ALA A 8 228.085 266.770 291.322 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLU A 9 227.003 266.105 287.730 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 225.309 267.704 284.716 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 224.069 266.633 281.276 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 224.283 263.002 280.144 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASP A 13 222.852 261.600 276.903 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA LYS A 14 220.830 261.919 273.689 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLN A 15 218.691 258.770 273.536 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLU A 16 219.332 255.996 271.004 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 222.730 256.239 269.298 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLY A 18 222.705 256.879 265.542 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA LEU A 19 221.011 253.796 264.077 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ARG A 20 220.885 250.318 265.627 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 223.940 248.122 265.024 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 226.025 247.778 268.194 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 228.698 250.469 268.550 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLU A 24 228.413 253.855 266.825 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 228.273 253.271 263.063 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 231.226 254.860 261.254 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASP A 27 234.954 254.666 260.494 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 236.518 257.916 259.266 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ALA A 29 236.506 261.156 261.270 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLU A 30 235.084 264.675 260.942 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LYS A 31 237.981 267.063 261.586 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ASN A 32 238.878 268.879 258.359 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 239.615 270.004 254.794 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 243.120 271.498 254.766 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 245.151 269.149 252.558 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 243.848 266.433 250.225 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA LYS A 37 245.901 265.034 247.336 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASP A 38 246.229 267.575 244.516 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA THR A 39 245.924 268.040 240.746 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLU A 40 248.863 268.617 238.391 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ARG A 41 252.273 267.113 237.602 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 255.376 266.518 235.472 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA LYS A 43 258.083 268.640 237.111 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA LYS A 44 261.814 269.200 236.578 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLU A 45 262.839 268.222 233.042 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ARG A 46 262.840 269.302 229.388 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA TRP A 47 261.207 270.396 226.124 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLY A 48 258.536 272.915 225.106 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 257.893 275.887 227.401 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLY A 50 259.300 276.711 230.845 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 262.009 278.032 233.176 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 260.255 280.427 235.564 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLY A 53 261.450 282.395 238.600 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ALA A 54 260.225 280.699 241.784 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA VAL A 55 259.962 282.174 245.286 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 261.571 281.634 248.697 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ALA A 57 264.709 281.470 250.852 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 264.536 279.037 253.779 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLN A 59 261.210 277.728 255.100 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA PRO A 60 259.435 277.180 258.426 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA HIS A 61 259.229 274.079 260.630 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ARG A 62 261.424 271.225 261.876 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA SER A 63 259.046 268.721 263.485 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ALA A 64 260.961 265.968 265.293 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA VAL A 65 264.444 264.423 265.275 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA VAL A 66 265.659 261.985 262.611 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 263.683 260.351 259.793 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA VAL A 68 263.308 256.673 260.713 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA THR A 69 263.517 253.830 258.185 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ALA A 70 262.140 250.702 256.502 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ARG A 71 261.074 250.786 252.845 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ALA A 72 261.284 248.058 250.193 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLY A 73 260.626 248.444 246.460 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ARG A 74 259.744 248.893 242.781 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA HIS A 75 261.189 248.246 239.316 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA PRO A 76 260.581 250.170 236.084 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA LEU A 77 257.153 249.121 234.792 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLN A 78 256.988 245.574 233.409 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA PRO A 79 254.018 243.306 232.666 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA PRO A 80 251.906 240.347 231.526 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA THR A 81 251.230 240.222 227.779 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA LEU A 82 252.855 238.292 224.924 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA MET A 83 254.687 236.407 222.166 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ASP A 84 252.701 233.441 220.834 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA LEU A 85 254.155 230.422 219.021 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ASN A 86 255.067 227.716 221.543 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA SER A 87 257.321 224.687 222.051 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA SER A 88 256.296 221.055 222.575 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ASP A 89 255.021 217.921 220.823 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ARG A 90 254.222 215.369 223.538 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA GLY A 91 251.073 215.706 225.656 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLY A 92 251.659 217.456 228.989 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA SER A 93 253.167 217.378 232.487 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ASP A 94 253.116 215.673 235.894 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA LYS A 95 255.413 212.867 237.063 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA MET A 96 258.462 210.615 237.451 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA ALA A 97 261.808 208.836 237.840 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ALA A 98 261.786 206.070 235.220 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA THR A 99 261.577 202.323 235.878 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA SER A 100 260.894 198.763 234.705 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLY A 101 262.872 195.696 235.799 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ARG A 102 266.377 194.203 235.806 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA ASN A 103 269.736 195.995 235.645 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA HIS A 104 271.370 196.216 239.080 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA GLN A 105 275.098 196.236 239.864 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ALA A 106 276.734 196.371 243.302 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ARG A 107 278.676 193.367 244.614 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA VAL A 108 282.127 191.881 245.243 1.00 0.00 C
|
| 111 |
+
TER 109 VAL A 108
|
| 112 |
+
END
|
Plants/Q5QLW4/Q5QLW4.dcd
ADDED
|
@@ -0,0 +1,3 @@
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|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:ede7e53f2b0d18a363d3ff0541200149b835a532e6135aa931426b1a74c056c7
|
| 3 |
+
size 17360276
|
Plants/Q5QLW4/top.pdb
ADDED
|
@@ -0,0 +1,142 @@
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-03
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 274.372 250.575 208.012 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA THR A 2 271.139 249.205 209.492 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 267.823 247.630 210.512 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 266.431 244.198 211.406 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 266.885 241.291 213.826 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 265.636 238.281 215.800 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLY A 7 262.754 235.790 215.878 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA HIS A 8 258.986 236.042 216.386 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 255.485 237.455 215.878 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 252.814 235.035 217.114 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 250.547 233.678 219.858 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 249.370 232.975 223.413 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 247.452 234.083 226.513 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLU A 14 247.717 231.257 229.055 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 244.813 228.889 229.743 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 243.003 229.416 233.054 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 239.321 229.668 233.999 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLY A 18 236.532 228.786 236.440 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 234.823 231.246 238.794 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 233.168 234.258 240.439 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA VAL A 21 231.827 234.173 244.004 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ALA A 22 233.168 236.666 246.554 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ALA A 23 235.244 239.861 246.523 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ALA A 24 236.578 241.561 249.661 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 238.261 244.617 251.192 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 238.645 248.150 249.820 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 241.063 250.863 250.964 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 241.153 254.302 252.603 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA THR A 29 240.398 257.709 251.075 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA CYS A 30 236.714 258.255 250.271 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA VAL A 31 233.850 255.783 249.822 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 233.099 253.309 247.024 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ALA A 33 229.801 252.902 245.159 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ALA A 34 227.015 250.502 246.155 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ALA A 35 225.777 248.564 243.117 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 226.755 244.896 242.800 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 230.245 244.522 241.317 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA PRO A 38 233.319 246.357 240.013 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 236.836 246.873 238.642 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA PRO A 40 238.520 250.235 238.027 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA THR A 41 242.167 251.154 238.630 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA VAL A 42 244.432 249.665 235.953 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA VAL A 43 248.019 249.109 237.111 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA THR A 44 251.407 248.340 238.676 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA PRO A 45 251.735 245.647 241.350 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ASP A 46 253.744 243.063 243.299 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LEU A 47 255.048 239.897 244.971 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLY A 48 252.194 238.340 246.958 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLY A 49 250.286 240.988 248.924 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 251.371 241.824 252.479 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 253.428 240.718 255.490 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 253.348 240.013 259.233 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ARG A 53 253.342 238.490 262.726 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLU A 54 255.184 235.604 264.398 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLN A 55 256.468 236.934 267.730 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA PRO A 56 259.041 239.705 267.265 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA PRO A 57 257.992 243.349 266.893 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA PRO A 58 260.364 245.886 268.459 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA PRO A 59 259.930 249.254 266.734 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLN A 60 257.503 251.414 264.743 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA PRO A 61 255.773 253.726 262.258 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 255.221 257.493 262.099 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA SER A 63 255.476 259.154 265.518 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 252.514 260.962 267.090 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 250.198 263.530 265.490 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA TRP A 66 246.688 264.547 266.569 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA SER A 67 246.097 268.207 267.445 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA CYS A 68 245.362 269.898 270.779 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA CYS A 69 244.853 268.786 274.387 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ARG A 70 242.301 267.894 277.072 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA LEU A 71 238.609 267.736 277.999 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ASP A 72 236.007 267.326 275.247 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA PRO A 73 235.070 264.171 273.328 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA PRO A 74 232.775 265.155 270.451 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ARG A 75 231.714 267.392 267.554 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA HIS A 76 233.279 266.505 264.195 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA HIS A 77 236.728 266.493 262.577 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ARG A 78 237.664 269.430 260.338 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA PRO A 79 239.456 272.681 261.197 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA PRO A 80 241.878 274.278 263.667 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA PRO A 81 244.061 276.911 265.344 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA CYS A 82 247.290 278.925 265.149 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA SER A 83 249.921 281.511 264.197 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA PRO A 84 253.698 281.939 263.952 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ARG A 85 257.087 282.641 265.546 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA PRO A 86 259.849 280.153 266.382 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA PRO A 87 263.401 281.156 267.326 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA PRO A 88 266.178 278.836 268.521 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ALA A 89 267.083 275.833 270.684 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ARG A 90 265.808 272.352 271.562 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA TYR A 91 263.394 271.839 274.465 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLY A 92 260.999 269.018 275.370 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ARG A 93 261.119 265.878 273.215 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLU A 94 257.806 264.807 271.667 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLY A 95 255.572 266.210 268.919 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA PRO A 96 257.258 269.049 267.017 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA GLY A 97 260.107 271.499 266.389 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ALA A 98 263.364 270.025 265.072 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ARG A 99 264.841 266.529 264.739 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ARG A 100 266.503 265.810 261.387 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ARG A 101 269.423 268.196 260.841 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ARG A 102 271.741 267.550 257.887 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA PRO A 103 271.982 269.543 254.649 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA PRO A 104 270.238 269.488 251.262 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA PRO A 105 269.327 267.188 248.364 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA SER A 106 269.356 263.648 249.773 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA PRO A 107 266.243 261.506 250.256 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA PRO A 108 265.252 258.126 251.710 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA ALA A 109 266.134 255.622 248.977 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ALA A 110 267.706 252.840 246.902 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA GLY A 111 266.689 249.170 246.821 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA ARG A 112 265.250 246.853 249.481 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ARG A 113 265.015 243.050 249.472 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA CYS A 114 263.292 240.819 246.909 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ARG A 115 263.663 241.678 243.216 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA GLU A 116 262.901 241.508 239.487 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA ARG A 117 260.431 243.017 237.010 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA ARG A 118 257.227 241.439 235.683 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLU A 119 253.807 240.474 234.308 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA VAL A 120 252.117 240.330 230.896 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ARG A 121 248.774 238.514 231.106 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA GLY A 122 248.210 236.559 234.327 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLY A 123 246.247 236.833 237.581 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA GLU A 124 242.819 235.171 237.643 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ARG A 125 240.089 235.806 240.224 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA SER A 126 239.779 233.103 242.891 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA GLU A 127 237.399 231.825 245.577 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA VAL A 128 236.023 228.364 246.381 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA GLY A 129 232.359 227.963 247.345 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA ARG A 130 231.114 224.373 247.078 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA GLY A 131 231.031 221.252 249.261 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA GLY A 132 234.245 219.658 250.544 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA GLU A 133 238.036 220.021 250.413 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA VAL A 134 239.725 223.436 250.406 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA LYS A 135 243.463 222.946 250.958 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA GLY A 136 246.039 220.207 251.574 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA ARG A 137 248.838 217.762 250.739 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA GLY A 138 250.668 218.629 247.511 1.00 0.00 C
|
| 141 |
+
TER 139 GLY A 138
|
| 142 |
+
END
|
Plants/Q5QLY8/Q5QLY8.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:2d80bf2802f041665ad5b2ee75b688148a6cf8120c66e2a6235a82530bf627e8
|
| 3 |
+
size 7400276
|