Datasets:
Add 300 K MPIPI-Recharged trajectories (Plants), files 15601-16200 of 20564
Browse filesThis view is limited to 50 files because it contains too many changes. See raw diff
- .gitattributes +300 -0
- Plants/Q84JE6/Q84JE6.dcd +3 -0
- Plants/Q84JE6/top.pdb +144 -0
- Plants/Q84JY8/Q84JY8.dcd +3 -0
- Plants/Q84JY8/top.pdb +147 -0
- Plants/Q84K92/Q84K92.dcd +3 -0
- Plants/Q84K92/top.pdb +67 -0
- Plants/Q84KH2/Q84KH2.dcd +3 -0
- Plants/Q84KH2/top.pdb +77 -0
- Plants/Q84M72/Q84M72.dcd +3 -0
- Plants/Q84M72/top.pdb +44 -0
- Plants/Q84MF8/Q84MF8.dcd +3 -0
- Plants/Q84MF8/top.pdb +145 -0
- Plants/Q84MR0/Q84MR0.dcd +3 -0
- Plants/Q84MR0/top.pdb +47 -0
- Plants/Q84MX9/Q84MX9.dcd +3 -0
- Plants/Q84MX9/top.pdb +98 -0
- Plants/Q84N45/Q84N45.dcd +3 -0
- Plants/Q84N45/top.pdb +105 -0
- Plants/Q84NK9/Q84NK9.dcd +3 -0
- Plants/Q84NK9/top.pdb +125 -0
- Plants/Q84NN0/Q84NN0.dcd +3 -0
- Plants/Q84NN0/top.pdb +137 -0
- Plants/Q84P81/Q84P81.dcd +3 -0
- Plants/Q84P81/top.pdb +45 -0
- Plants/Q84Q29/Q84Q29.dcd +3 -0
- Plants/Q84Q29/top.pdb +64 -0
- Plants/Q84QQ0/Q84QQ0.dcd +3 -0
- Plants/Q84QQ0/top.pdb +141 -0
- Plants/Q84RM3/Q84RM3.dcd +3 -0
- Plants/Q84RM3/top.pdb +137 -0
- Plants/Q84RW5/Q84RW5.dcd +3 -0
- Plants/Q84RW5/top.pdb +199 -0
- Plants/Q84SN7/Q84SN7.dcd +3 -0
- Plants/Q84SN7/top.pdb +67 -0
- Plants/Q84ST6/Q84ST6.dcd +3 -0
- Plants/Q84ST6/top.pdb +54 -0
- Plants/Q84SW4/Q84SW4.dcd +3 -0
- Plants/Q84SW4/top.pdb +44 -0
- Plants/Q84SW5/Q84SW5.dcd +3 -0
- Plants/Q84SW5/top.pdb +133 -0
- Plants/Q84T26/Q84T26.dcd +3 -0
- Plants/Q84T26/top.pdb +160 -0
- Plants/Q84TR8/Q84TR8.dcd +3 -0
- Plants/Q84TR8/top.pdb +85 -0
- Plants/Q84TY0/Q84TY0.dcd +3 -0
- Plants/Q84TY0/top.pdb +100 -0
- Plants/Q84V51/Q84V51.dcd +3 -0
- Plants/Q84V51/top.pdb +131 -0
- Plants/Q84W99/Q84W99.dcd +3 -0
.gitattributes
CHANGED
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@@ -7858,3 +7858,303 @@ Plants/Q7Y1A0/Q7Y1A0.dcd filter=lfs diff=lfs merge=lfs -text
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| 7858 |
Plants/Q7Y1J7/Q7Y1J7.dcd filter=lfs diff=lfs merge=lfs -text
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| 7859 |
Plants/Q7Y1K1/Q7Y1K1.dcd filter=lfs diff=lfs merge=lfs -text
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| 7860 |
Plants/Q7Y1L9/Q7Y1L9.dcd filter=lfs diff=lfs merge=lfs -text
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| 7858 |
Plants/Q7Y1J7/Q7Y1J7.dcd filter=lfs diff=lfs merge=lfs -text
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| 7859 |
Plants/Q7Y1K1/Q7Y1K1.dcd filter=lfs diff=lfs merge=lfs -text
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| 7860 |
Plants/Q7Y1L9/Q7Y1L9.dcd filter=lfs diff=lfs merge=lfs -text
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| 7861 |
+
Plants/Q84JE6/Q84JE6.dcd filter=lfs diff=lfs merge=lfs -text
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| 7862 |
+
Plants/Q84JY8/Q84JY8.dcd filter=lfs diff=lfs merge=lfs -text
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| 7863 |
+
Plants/Q84K92/Q84K92.dcd filter=lfs diff=lfs merge=lfs -text
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| 7864 |
+
Plants/Q84KH2/Q84KH2.dcd filter=lfs diff=lfs merge=lfs -text
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| 7865 |
+
Plants/Q84M72/Q84M72.dcd filter=lfs diff=lfs merge=lfs -text
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| 7866 |
+
Plants/Q84MF8/Q84MF8.dcd filter=lfs diff=lfs merge=lfs -text
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| 7867 |
+
Plants/Q84MR0/Q84MR0.dcd filter=lfs diff=lfs merge=lfs -text
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| 7868 |
+
Plants/Q84MX9/Q84MX9.dcd filter=lfs diff=lfs merge=lfs -text
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| 7869 |
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Plants/Q84N45/Q84N45.dcd filter=lfs diff=lfs merge=lfs -text
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| 7870 |
+
Plants/Q84NK9/Q84NK9.dcd filter=lfs diff=lfs merge=lfs -text
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| 7871 |
+
Plants/Q84NN0/Q84NN0.dcd filter=lfs diff=lfs merge=lfs -text
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| 7872 |
+
Plants/Q84P81/Q84P81.dcd filter=lfs diff=lfs merge=lfs -text
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| 7873 |
+
Plants/Q84Q29/Q84Q29.dcd filter=lfs diff=lfs merge=lfs -text
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| 7874 |
+
Plants/Q84QQ0/Q84QQ0.dcd filter=lfs diff=lfs merge=lfs -text
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| 7875 |
+
Plants/Q84RM3/Q84RM3.dcd filter=lfs diff=lfs merge=lfs -text
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| 7876 |
+
Plants/Q84RW5/Q84RW5.dcd filter=lfs diff=lfs merge=lfs -text
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| 7877 |
+
Plants/Q84SN7/Q84SN7.dcd filter=lfs diff=lfs merge=lfs -text
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| 7878 |
+
Plants/Q84ST6/Q84ST6.dcd filter=lfs diff=lfs merge=lfs -text
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| 7879 |
+
Plants/Q84SW4/Q84SW4.dcd filter=lfs diff=lfs merge=lfs -text
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| 7880 |
+
Plants/Q84SW5/Q84SW5.dcd filter=lfs diff=lfs merge=lfs -text
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| 7881 |
+
Plants/Q84T26/Q84T26.dcd filter=lfs diff=lfs merge=lfs -text
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| 7882 |
+
Plants/Q84TR8/Q84TR8.dcd filter=lfs diff=lfs merge=lfs -text
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| 7883 |
+
Plants/Q84TY0/Q84TY0.dcd filter=lfs diff=lfs merge=lfs -text
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| 7884 |
+
Plants/Q84V51/Q84V51.dcd filter=lfs diff=lfs merge=lfs -text
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| 7885 |
+
Plants/Q84W99/Q84W99.dcd filter=lfs diff=lfs merge=lfs -text
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| 7886 |
+
Plants/Q84WM0/Q84WM0.dcd filter=lfs diff=lfs merge=lfs -text
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| 7887 |
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Plants/Q84WZ5/Q84WZ5.dcd filter=lfs diff=lfs merge=lfs -text
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| 7888 |
+
Plants/Q84XG1/Q84XG1.dcd filter=lfs diff=lfs merge=lfs -text
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| 7889 |
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Plants/Q84XX4/Q84XX4.dcd filter=lfs diff=lfs merge=lfs -text
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| 7890 |
+
Plants/Q84XX7/Q84XX7.dcd filter=lfs diff=lfs merge=lfs -text
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| 7891 |
+
Plants/Q84YN0/Q84YN0.dcd filter=lfs diff=lfs merge=lfs -text
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| 7892 |
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Plants/Q84YQ7/Q84YQ7.dcd filter=lfs diff=lfs merge=lfs -text
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| 7893 |
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Plants/Q84YS1/Q84YS1.dcd filter=lfs diff=lfs merge=lfs -text
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| 7894 |
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Plants/Q84YS5/Q84YS5.dcd filter=lfs diff=lfs merge=lfs -text
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| 7895 |
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Plants/Q84YU8/Q84YU8.dcd filter=lfs diff=lfs merge=lfs -text
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| 7896 |
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Plants/Q84YX7/Q84YX7.dcd filter=lfs diff=lfs merge=lfs -text
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| 7897 |
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Plants/Q84Z20/Q84Z20.dcd filter=lfs diff=lfs merge=lfs -text
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| 7898 |
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Plants/Q84Z73/Q84Z73.dcd filter=lfs diff=lfs merge=lfs -text
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| 7899 |
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Plants/Q84ZA9/Q84ZA9.dcd filter=lfs diff=lfs merge=lfs -text
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| 7900 |
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Plants/Q84ZE9/Q84ZE9.dcd filter=lfs diff=lfs merge=lfs -text
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| 7901 |
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Plants/Q84ZG4/Q84ZG4.dcd filter=lfs diff=lfs merge=lfs -text
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| 7902 |
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Plants/Q84ZL8/Q84ZL8.dcd filter=lfs diff=lfs merge=lfs -text
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| 7903 |
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Plants/Q84ZR2/Q84ZR2.dcd filter=lfs diff=lfs merge=lfs -text
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| 7904 |
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Plants/Q84ZS0/Q84ZS0.dcd filter=lfs diff=lfs merge=lfs -text
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| 7905 |
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Plants/Q850G3/Q850G3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7906 |
+
Plants/Q850G7/Q850G7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7907 |
+
Plants/Q850S0/Q850S0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7908 |
+
Plants/Q850T4/Q850T4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7909 |
+
Plants/Q851A8/Q851A8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7910 |
+
Plants/Q851I7/Q851I7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7911 |
+
Plants/Q851N1/Q851N1.dcd filter=lfs diff=lfs merge=lfs -text
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| 7912 |
+
Plants/Q852F2/Q852F2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7913 |
+
Plants/Q852G3/Q852G3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7914 |
+
Plants/Q85WX6/Q85WX6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7915 |
+
Plants/Q8GRJ9/Q8GRJ9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7916 |
+
Plants/Q8GRL1/Q8GRL1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7917 |
+
Plants/Q8GRT1/Q8GRT1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7918 |
+
Plants/Q8GSC7/Q8GSC7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7919 |
+
Plants/Q8GSH5/Q8GSH5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7920 |
+
Plants/Q8GSJ0/Q8GSJ0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7921 |
+
Plants/Q8GSR7/Q8GSR7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7922 |
+
Plants/Q8GSW7/Q8GSW7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7923 |
+
Plants/Q8GUC7/Q8GUC7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7924 |
+
Plants/Q8GUM6/Q8GUM6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7925 |
+
Plants/Q8GV08/Q8GV08.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7926 |
+
Plants/Q8GV15/Q8GV15.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7927 |
+
Plants/Q8GVP2/Q8GVP2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7928 |
+
Plants/Q8GVQ4/Q8GVQ4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7929 |
+
Plants/Q8GVR5/Q8GVR5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7930 |
+
Plants/Q8GVZ9/Q8GVZ9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7931 |
+
Plants/Q8GWM3/Q8GWM3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7932 |
+
Plants/Q8GWS9/Q8GWS9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7933 |
+
Plants/Q8GWV7/Q8GWV7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7934 |
+
Plants/Q8GXU7/Q8GXU7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7935 |
+
Plants/Q8GZZ1/Q8GZZ1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7936 |
+
Plants/Q8H0H7/Q8H0H7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7937 |
+
Plants/Q8H0L0/Q8H0L0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7938 |
+
Plants/Q8H0M3/Q8H0M3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7939 |
+
Plants/Q8H0M6/Q8H0M6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7940 |
+
Plants/Q8H0M8/Q8H0M8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7941 |
+
Plants/Q8H1U3/Q8H1U3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7942 |
+
Plants/Q8H2Q4/Q8H2Q4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7943 |
+
Plants/Q8H303/Q8H303.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7944 |
+
Plants/Q8H307/Q8H307.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7945 |
+
Plants/Q8H377/Q8H377.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7946 |
+
Plants/Q8H3T1/Q8H3T1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7947 |
+
Plants/Q8H3T6/Q8H3T6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7948 |
+
Plants/Q8H3X0/Q8H3X0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7949 |
+
Plants/Q8H3X6/Q8H3X6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7950 |
+
Plants/Q8H411/Q8H411.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7951 |
+
Plants/Q8H442/Q8H442.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7952 |
+
Plants/Q8H444/Q8H444.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7953 |
+
Plants/Q8H460/Q8H460.dcd filter=lfs diff=lfs merge=lfs -text
|
| 7954 |
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| 8136 |
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Plants/Q9AUU1/Q9AUU1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8137 |
+
Plants/Q9AV19/Q9AV19.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8138 |
+
Plants/Q9AVT2/Q9AVT2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8139 |
+
Plants/Q9AWS3/Q9AWS3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8140 |
+
Plants/Q9AXJ5/Q9AXJ5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8141 |
+
Plants/Q9AYB9/Q9AYB9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8142 |
+
Plants/Q9AYG8/Q9AYG8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8143 |
+
Plants/Q9C672/Q9C672.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8144 |
+
Plants/Q9C6E9/Q9C6E9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8145 |
+
Plants/Q9C7R7/Q9C7R7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8146 |
+
Plants/Q9C7W1/Q9C7W1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8147 |
+
Plants/Q9C7Y9/Q9C7Y9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8148 |
+
Plants/Q9FGU5/Q9FGU5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8149 |
+
Plants/Q9FH00/Q9FH00.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8150 |
+
Plants/Q9FLJ3/Q9FLJ3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8151 |
+
Plants/Q9FM74/Q9FM74.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8152 |
+
Plants/Q9FNP3/Q9FNP3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8153 |
+
Plants/Q9FNV0/Q9FNV0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8154 |
+
Plants/Q9FNW1/Q9FNW1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8155 |
+
Plants/Q9FP55/Q9FP55.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8156 |
+
Plants/Q9FP91/Q9FP91.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8157 |
+
Plants/Q9FR31/Q9FR31.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8158 |
+
Plants/Q9FRH1/Q9FRH1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8159 |
+
Plants/Q9FS23/Q9FS23.dcd filter=lfs diff=lfs merge=lfs -text
|
| 8160 |
+
Plants/Q9FSY9/Q9FSY9.dcd filter=lfs diff=lfs merge=lfs -text
|
Plants/Q84JE6/Q84JE6.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
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|
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|
|
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|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:96d1b4e3f8c885d32bf686feec6a17d3d817d9c978b30b7509d46f0ae8e722f8
|
| 3 |
+
size 17600276
|
Plants/Q84JE6/top.pdb
ADDED
|
@@ -0,0 +1,144 @@
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|
|
|
|
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|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 235.597 280.114 243.074 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA TRP A 2 233.588 283.275 242.379 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLY A 3 229.901 284.235 242.294 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ILE A 4 227.606 287.269 242.490 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLU A 5 225.231 287.981 239.597 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA THR A 6 226.846 290.117 236.887 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LEU A 7 224.161 292.324 235.325 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA MET A 8 225.058 295.933 236.156 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 225.864 297.259 239.635 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 229.648 296.962 239.971 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA THR A 11 233.028 296.274 238.353 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLU A 12 235.486 299.090 239.094 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 237.657 301.937 237.791 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLY A 14 236.305 303.766 234.734 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA PRO A 15 233.305 304.999 232.735 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 231.618 302.370 230.553 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 232.768 299.197 228.785 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ARG A 18 232.350 295.940 226.853 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 231.139 292.368 226.310 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 229.903 289.138 227.907 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 228.277 285.973 226.544 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LYS A 22 226.231 283.306 224.751 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 226.015 279.931 226.506 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 229.434 278.264 226.734 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 232.616 277.689 228.748 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 234.070 279.136 231.959 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 236.292 282.179 231.393 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLY A 28 239.425 282.039 233.556 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 241.219 278.821 232.585 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 242.304 276.493 235.398 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 243.150 277.002 239.078 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 243.394 280.665 240.098 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLY A 33 244.064 284.190 241.379 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 241.460 286.951 241.717 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 239.085 289.553 243.167 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 241.325 292.493 244.090 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ASP A 37 243.654 291.635 246.981 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASP A 38 246.723 291.720 249.237 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 248.417 288.346 249.748 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 251.544 288.683 251.900 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 254.715 288.382 249.810 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA TYR A 42 258.509 288.729 249.753 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ARG A 43 259.628 292.371 249.792 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLY A 44 257.677 295.287 251.277 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ARG A 45 255.084 297.883 252.304 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 253.948 297.305 255.894 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ALA A 47 253.510 296.224 259.521 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLY A 48 252.528 292.993 261.285 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLU A 49 250.289 291.982 264.198 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 248.142 292.000 267.345 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLU A 51 249.737 290.876 270.618 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 252.999 292.253 272.025 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLY A 53 254.352 289.679 274.487 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ARG A 54 258.161 289.597 274.459 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA TRP A 55 259.175 287.042 271.820 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ARG A 56 256.544 285.933 269.298 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA PRO A 57 258.514 284.287 266.483 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA MET A 58 260.504 281.601 264.655 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LEU A 59 259.774 278.200 263.100 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 258.046 275.196 261.517 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ARG A 61 258.975 271.805 262.983 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ARG A 62 257.424 269.201 260.674 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ARG A 63 254.089 268.829 258.870 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 252.227 265.975 257.166 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA VAL A 65 248.684 265.092 258.254 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA MET A 66 247.257 262.492 255.862 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 244.174 260.417 256.700 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ASP A 68 241.356 260.474 254.136 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ALA A 69 242.064 257.619 251.714 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLY A 70 244.784 255.424 253.231 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA GLU A 71 247.083 252.613 252.081 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLY A 72 249.068 249.642 253.405 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLU A 73 252.854 250.001 253.182 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA THR A 74 254.461 252.903 251.308 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA MET A 75 258.223 253.504 251.347 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLY A 76 261.620 253.698 253.062 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA PRO A 77 264.550 253.792 250.628 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA PRO A 78 263.621 254.904 247.104 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA THR A 79 264.124 251.863 244.864 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ALA A 80 264.349 248.067 244.623 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLY A 81 266.933 246.690 242.186 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ALA A 82 268.140 244.256 239.515 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ARG A 83 269.440 241.112 241.230 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ARG A 84 268.133 237.926 239.600 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA GLU A 85 266.859 235.255 241.999 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ARG A 86 268.031 233.927 245.372 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA GLY A 87 269.651 232.618 248.563 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ARG A 88 267.425 230.429 250.748 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ALA A 89 267.134 226.880 249.395 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ALA A 90 268.211 223.226 249.488 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA GLY A 91 268.412 219.895 247.650 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLY A 92 268.863 216.226 248.574 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA GLY A 93 268.016 214.190 245.467 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ALA A 94 267.467 215.207 241.837 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLY A 95 268.787 217.795 239.372 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ARG A 96 266.640 217.381 236.252 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA ARG A 97 262.842 217.411 236.549 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA TRP A 98 259.708 219.524 236.067 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ALA A 99 256.594 221.384 234.901 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA GLY A 100 254.690 222.382 238.046 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ASP A 101 254.031 222.123 241.790 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLY A 102 251.139 221.249 244.111 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA GLY A 103 252.545 219.226 247.018 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA ARG A 104 253.948 216.717 249.518 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ARG A 105 253.430 214.279 252.400 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA TRP A 106 252.589 213.669 256.065 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLY A 107 253.580 210.748 258.301 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA GLU A 108 256.639 210.637 260.569 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA LEU A 109 260.151 209.257 261.100 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ARG A 110 262.706 207.378 258.988 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA LYS A 111 266.113 206.841 257.369 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA GLN A 112 269.723 207.921 257.932 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA THR A 113 271.520 209.458 254.944 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA HIS A 114 274.448 207.768 253.187 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLY A 115 273.774 204.259 251.866 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA PRO A 116 271.458 202.613 254.405 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA THR A 117 270.739 199.377 256.283 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLN A 118 269.630 196.118 254.650 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ALA A 119 267.608 193.255 253.157 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA ARG A 120 267.132 191.029 250.102 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA LEU A 121 263.906 189.041 250.497 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA LEU A 122 261.428 187.898 253.155 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA PRO A 123 257.974 186.765 254.297 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA CYS A 124 256.080 189.245 256.482 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ARG A 125 252.828 190.838 257.667 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA GLU A 126 253.763 193.873 259.770 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA LEU A 127 252.027 196.899 261.303 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA ARG A 128 248.542 196.966 262.841 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA LYS A 129 247.969 194.460 265.653 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA GLN A 130 245.056 195.519 267.869 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA THR A 131 241.706 193.902 268.691 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA GLN A 132 238.915 191.310 268.625 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ALA A 133 235.940 190.907 270.971 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA LEU A 134 232.370 192.106 270.389 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA ALA A 135 231.453 191.437 266.752 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA SER A 136 228.461 189.086 266.559 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA GLY A 137 226.980 186.237 268.610 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA SER A 138 225.921 184.439 271.797 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA GLY A 139 223.959 181.176 271.936 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA GLU A 140 221.261 178.502 272.236 1.00 0.00 C
|
| 143 |
+
TER 141 GLU A 140
|
| 144 |
+
END
|
Plants/Q84JY8/Q84JY8.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:23608f95b4033095883d2d1c38a3783e9a516f0c2b41df5db7844790f41b959e
|
| 3 |
+
size 17960276
|
Plants/Q84JY8/top.pdb
ADDED
|
@@ -0,0 +1,147 @@
|
|
|
|
|
|
|
|
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 192.536 297.009 242.546 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 191.179 300.482 243.329 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PRO A 3 191.228 303.503 245.651 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 193.941 304.258 248.217 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ALA A 5 196.059 307.415 248.466 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 198.384 308.933 245.857 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 200.726 311.937 245.742 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 200.592 313.344 242.204 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA HIS A 9 203.642 312.299 240.174 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 204.358 308.752 238.981 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 206.106 305.377 238.717 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 209.804 305.827 237.916 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 213.259 307.410 238.184 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA HIS A 14 214.778 308.656 241.448 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ALA A 15 216.834 306.336 243.663 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ALA A 16 214.797 305.139 246.652 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 211.101 304.865 247.537 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ALA A 18 208.056 304.568 249.808 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLN A 19 204.975 302.368 249.386 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 203.327 301.063 246.208 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ASP A 21 206.135 299.320 244.313 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ASP A 22 207.318 295.760 243.650 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 208.111 292.033 243.663 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ARG A 24 208.993 289.742 246.576 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 211.301 286.824 245.754 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ARG A 26 212.449 284.514 242.950 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 213.873 280.980 242.984 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ALA A 28 214.783 277.575 241.538 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ALA A 29 218.327 276.191 241.329 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ALA A 30 220.790 277.491 243.929 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 221.647 276.811 247.578 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 220.748 277.179 251.262 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 220.683 277.953 254.992 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLU A 34 222.848 276.448 257.743 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 224.646 273.426 256.278 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLU A 36 225.526 270.032 254.787 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA LYS A 37 225.366 268.149 251.478 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA LYS A 38 223.170 270.100 249.053 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 219.365 270.074 248.844 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLY A 40 217.391 267.069 250.107 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ASP A 41 215.945 268.228 253.436 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ALA A 42 217.811 267.865 256.738 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 216.072 267.195 260.061 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA PRO A 44 217.691 265.630 263.135 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ARG A 45 217.424 264.446 266.746 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA VAL A 46 216.589 260.790 267.423 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ALA A 47 218.591 259.789 270.506 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLY A 48 219.630 260.253 274.142 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ALA A 49 221.681 257.600 275.952 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLU A 50 223.979 255.436 278.086 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLU A 51 227.084 254.411 280.042 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 230.370 254.631 278.126 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASP A 53 234.083 255.209 278.750 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLY A 54 236.048 252.145 277.622 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 239.824 251.638 277.623 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ARG A 56 242.560 249.337 276.307 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ARG A 57 246.287 248.545 276.264 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 249.012 248.085 273.642 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLN A 59 250.837 251.060 272.113 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ALA A 60 253.940 251.955 274.135 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA THR A 61 257.188 252.289 272.172 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLY A 62 259.365 251.293 269.208 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLY A 63 262.475 251.631 267.033 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ARG A 64 263.497 248.615 264.942 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ARG A 65 264.169 244.882 265.307 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ARG A 66 263.364 241.608 263.531 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA LEU A 67 260.887 242.584 260.806 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ALA A 68 257.126 242.641 260.201 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ASP A 69 254.148 240.362 260.879 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLU A 70 250.900 238.458 260.299 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA LEU A 71 249.879 235.750 262.778 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ARG A 72 252.425 234.777 265.440 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ARG A 73 253.900 235.320 268.911 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 254.988 231.913 270.224 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA LEU A 75 256.596 228.612 271.242 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ARG A 76 254.231 227.096 273.815 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA LYS A 77 251.556 224.884 272.245 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLU A 78 249.967 222.846 269.445 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA LYS A 79 250.674 219.128 269.880 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ILE A 80 253.813 217.225 270.900 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLY A 81 254.350 213.871 272.626 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ILE A 82 251.468 211.706 273.858 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ARG A 83 249.701 208.587 275.150 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA GLU A 84 251.625 205.326 275.573 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ARG A 85 252.929 201.887 274.578 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA GLU A 86 256.183 200.800 272.921 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA MET A 87 259.623 199.377 272.106 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ASP A 88 261.238 197.180 274.766 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA HIS A 89 259.802 194.299 276.804 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA GLY A 90 259.620 190.627 275.805 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ASP A 91 261.451 188.890 272.950 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ARG A 92 261.881 191.596 270.303 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ASP A 93 264.601 194.247 270.014 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA PRO A 94 263.938 197.591 268.312 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA TRP A 95 265.664 198.510 265.042 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA PRO A 96 269.302 199.416 264.364 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA LYS A 97 272.932 199.475 265.521 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ALA A 98 275.941 201.775 265.938 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ALA A 99 275.949 204.819 263.647 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA VAL A 100 276.242 206.284 260.142 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLU A 101 277.903 209.177 258.301 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA VAL A 102 279.629 207.677 255.254 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA ALA A 103 280.400 210.630 252.973 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA LEU A 104 284.094 210.485 252.053 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA THR A 105 285.791 209.164 248.908 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ARG A 106 289.223 210.682 248.250 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ALA A 107 289.746 211.031 244.492 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA ARG A 108 287.145 211.201 241.713 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA GLY A 109 285.738 213.488 239.011 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ASP A 110 284.586 217.082 238.485 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA GLU A 111 286.955 220.065 238.434 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA GLY A 112 288.767 223.186 237.214 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA SER A 113 286.346 225.933 236.161 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA GLY A 114 284.845 227.250 232.916 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ASP A 115 281.605 227.858 231.005 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA GLU A 116 280.464 225.112 228.623 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA PRO A 117 279.143 224.492 225.103 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA ARG A 118 276.626 224.291 222.250 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ARG A 119 273.837 226.701 223.216 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA ARG A 120 272.567 229.502 225.465 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ARG A 121 274.504 232.600 224.385 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA GLY A 122 274.811 236.328 223.657 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLY A 123 277.282 237.048 220.848 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA ARG A 124 281.083 237.138 220.598 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA GLY A 125 283.453 239.713 219.090 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA GLY A 126 284.750 242.616 221.189 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA PRO A 127 288.139 244.331 220.887 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA ARG A 128 288.924 247.076 218.364 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA PRO A 129 290.509 250.498 217.824 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA ARG A 130 289.462 253.823 219.362 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA GLU A 131 286.505 256.102 218.599 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA ALA A 132 284.826 256.165 215.180 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ASN A 133 286.047 258.554 212.474 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA GLY A 134 289.475 258.574 210.811 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA GLY A 135 292.911 259.483 212.184 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ASP A 136 295.781 260.913 214.242 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA GLY A 137 299.270 259.455 214.710 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA VAL A 138 302.348 258.112 212.910 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA ARG A 139 302.998 258.951 209.251 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA ARG A 140 305.715 260.175 206.878 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA ARG A 141 308.204 262.793 205.665 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA ARG A 142 311.966 263.181 205.203 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA ALA A 143 315.428 261.722 205.837 1.00 0.00 C
|
| 146 |
+
TER 144 ALA A 143
|
| 147 |
+
END
|
Plants/Q84K92/Q84K92.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:905b47ac324dbe2fbc65b7f6182a554cd4614b5e6b8ed252a6e9c6010c67139f
|
| 3 |
+
size 8360276
|
Plants/Q84K92/top.pdb
ADDED
|
@@ -0,0 +1,67 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 255.540 206.056 223.749 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 258.162 203.833 225.390 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ASP A 3 259.871 205.540 228.336 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LYS A 4 261.403 209.020 228.579 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 261.284 211.402 231.551 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 261.088 212.561 235.175 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA PRO A 7 262.984 214.924 237.486 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LEU A 8 262.568 218.506 236.257 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PRO A 9 259.318 220.487 236.430 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA LYS A 10 257.192 222.636 238.749 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PHE A 11 259.478 224.786 240.909 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 262.239 226.738 242.666 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLU A 13 260.796 228.527 245.705 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA TRP A 14 260.108 231.794 247.540 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ASP A 15 257.411 234.486 247.571 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA VAL A 16 254.719 236.866 246.306 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASN A 17 252.755 239.798 244.871 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASP A 18 250.686 242.823 243.829 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA PRO A 19 249.232 245.940 242.189 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 247.103 246.116 239.034 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 247.892 248.519 236.185 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ALA A 22 249.274 251.686 234.579 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLU A 23 250.451 255.156 235.624 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 254.182 255.922 235.684 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PHE A 25 257.266 258.035 234.946 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA THR A 26 259.167 261.178 235.959 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA VAL A 27 258.599 263.479 238.942 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ILE A 28 256.284 262.093 241.631 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA PHE A 29 252.633 261.596 240.660 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASN A 30 251.983 261.403 236.911 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LYS A 31 249.036 263.706 236.182 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ALA A 32 246.607 265.094 238.768 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 243.062 264.669 240.099 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ASN A 34 242.880 264.014 243.848 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 244.535 262.119 246.708 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LYS A 36 246.286 258.885 245.710 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA LYS A 37 248.902 257.191 247.901 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 251.481 259.075 249.978 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 255.124 260.085 249.502 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLY A 40 257.064 263.115 248.248 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA LYS A 41 256.986 266.441 250.104 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 256.138 267.554 253.648 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ASP A 43 254.722 269.352 256.694 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA SER A 44 254.253 270.846 260.167 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA PRO A 45 254.636 268.166 262.848 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 253.260 264.615 262.729 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LYS A 47 252.762 260.848 262.455 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ASP A 48 249.726 258.664 261.727 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLU A 49 246.400 259.840 260.286 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA PRO A 50 243.716 262.431 261.058 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 241.926 264.003 264.032 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA TYR A 52 241.511 265.381 267.559 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASN A 53 241.957 264.113 271.124 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA LYS A 54 242.392 267.011 273.560 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ASN A 55 240.573 267.361 276.889 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 238.290 267.118 279.930 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLU A 57 235.867 264.189 280.193 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA VAL A 58 232.823 261.918 279.887 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LEU A 59 232.805 258.591 278.031 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLU A 60 230.060 258.326 275.401 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA LYS A 61 226.255 258.487 275.509 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 224.362 260.992 277.668 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 221.935 263.894 278.114 1.00 0.00 C
|
| 66 |
+
TER 64 ALA A 63
|
| 67 |
+
END
|
Plants/Q84KH2/Q84KH2.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:3c033537fddb10f20bd52789030badc5825cf9ab115183f36fe2bbab1be7497a
|
| 3 |
+
size 9560276
|
Plants/Q84KH2/top.pdb
ADDED
|
@@ -0,0 +1,77 @@
|
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA GLU A 1 226.570 259.123 262.459 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ASP A 2 228.199 256.027 260.950 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ALA A 3 230.743 254.043 262.977 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LEU A 4 232.840 251.631 260.904 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 236.449 252.836 261.099 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLU A 6 239.585 251.280 259.595 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLY A 7 243.318 251.752 258.994 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 243.813 254.968 257.012 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ALA A 9 242.778 258.567 256.310 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA SER A 10 243.407 260.380 259.601 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 245.987 260.574 262.398 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA SER A 12 246.409 257.768 264.941 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA PRO A 13 249.274 255.260 264.813 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 250.701 254.091 268.146 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA HIS A 15 249.076 255.950 271.047 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ILE A 16 248.304 254.458 274.467 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 246.768 251.271 275.881 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLY A 18 247.443 248.116 273.854 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 246.588 248.040 270.142 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 246.892 244.560 268.620 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ASN A 21 246.552 243.519 264.971 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LYS A 22 247.214 240.955 262.232 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA LYS A 23 249.972 238.349 262.576 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ALA A 24 253.360 239.854 261.697 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA SER A 25 256.104 242.003 263.236 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA THR A 26 257.191 245.404 264.567 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA VAL A 27 258.943 247.251 261.733 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLY A 28 262.473 248.283 262.727 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA HIS A 29 264.303 251.559 263.390 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA PHE A 30 261.892 254.265 262.215 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LYS A 31 258.435 255.828 261.862 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ASP A 32 256.837 258.312 259.455 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA SER A 33 255.381 258.900 255.984 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ALA A 34 251.983 260.050 254.701 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ASN A 35 249.311 260.164 251.988 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LEU A 36 246.625 260.106 249.286 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 243.454 262.075 248.524 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA LYS A 38 241.938 264.631 246.140 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA VAL A 39 243.682 267.924 246.935 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLU A 40 242.317 271.467 247.257 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ASP A 41 238.994 272.216 245.550 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 236.369 269.543 246.241 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA HIS A 43 232.986 269.942 244.534 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA MET A 44 230.981 269.337 241.351 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ASP A 45 230.509 265.858 239.872 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ARG A 46 233.253 263.630 241.295 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA SER A 47 233.815 259.875 240.982 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ILE A 48 236.863 257.848 239.924 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLY A 49 240.485 257.116 240.851 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA VAL A 50 244.082 256.177 241.687 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA LYS A 51 247.192 254.016 241.267 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA LYS A 52 246.272 251.265 238.797 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA PRO A 53 246.964 248.718 236.050 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ARG A 54 247.474 245.004 236.733 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA TYR A 55 247.786 242.606 233.789 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 249.635 243.547 230.594 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ALA A 57 252.615 241.353 229.687 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ASP A 58 255.165 241.864 226.903 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLU A 59 258.445 240.264 227.997 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 260.884 238.774 225.477 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA PRO A 61 260.729 235.239 224.066 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA SER A 62 263.238 232.375 224.210 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA LEU A 63 265.440 231.760 227.258 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA THR A 64 269.019 230.937 228.273 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLU A 65 269.601 230.323 231.988 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA LEU A 66 271.044 228.172 234.782 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA SER A 67 269.827 225.159 236.770 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 269.280 225.547 240.520 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA TYR A 69 267.692 228.565 242.219 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ASN A 70 270.285 231.356 242.228 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ALA A 71 270.094 234.816 243.812 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA LYS A 72 269.706 237.557 241.195 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ARG A 73 270.163 237.646 237.414 1.00 0.00 C
|
| 76 |
+
TER 74 ARG A 73
|
| 77 |
+
END
|
Plants/Q84M72/Q84M72.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:6475ed01a7d89548321dba74a605f0891023e1cfab2a5ef4a340844aff91735a
|
| 3 |
+
size 5600276
|
Plants/Q84M72/top.pdb
ADDED
|
@@ -0,0 +1,44 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 260.619 251.174 216.842 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLU A 2 262.061 254.327 218.421 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 261.272 256.711 221.287 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LYS A 4 259.874 260.097 222.334 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 259.401 263.427 220.543 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA VAL A 6 255.978 265.026 221.031 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LEU A 7 252.369 264.217 221.947 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LEU A 8 248.706 264.948 221.193 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ALA A 9 246.547 262.330 222.924 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA MET A 10 243.915 259.982 224.365 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 245.225 258.685 227.699 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 243.793 255.954 229.936 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLU A 13 241.274 253.793 231.808 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 242.630 252.074 234.926 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA TRP A 15 244.130 250.026 237.767 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLU A 16 246.481 247.234 238.860 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLY A 17 244.159 244.468 240.073 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLU A 18 242.058 244.314 243.248 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 239.596 246.518 245.145 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA THR A 20 238.345 244.870 248.344 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLU A 21 240.308 244.461 251.583 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLU A 22 242.191 245.302 254.787 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLU A 23 245.288 245.322 257.006 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 246.673 242.314 258.890 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 247.819 242.310 262.524 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 246.524 244.087 265.635 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA LYS A 27 245.988 242.370 268.994 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 243.666 242.488 272.012 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA PRO A 29 243.376 242.749 275.802 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA TRP A 30 244.499 239.852 278.006 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLU A 31 246.709 240.265 281.082 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 250.086 241.308 279.659 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 253.442 242.408 281.090 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 256.049 244.734 279.571 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ASP A 35 256.007 248.186 277.957 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLY A 36 256.766 248.045 274.226 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA VAL A 37 259.528 250.011 272.486 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ARG A 38 262.736 249.105 274.330 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 265.733 250.800 272.699 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLY A 40 268.177 253.710 272.969 1.00 0.00 C
|
| 43 |
+
TER 41 GLY A 40
|
| 44 |
+
END
|
Plants/Q84MF8/Q84MF8.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:07128f000b22d6c3f792ae113dd469d4d1deb1b13bccfec621b3e6ba1ed36ae0
|
| 3 |
+
size 17720276
|
Plants/Q84MF8/top.pdb
ADDED
|
@@ -0,0 +1,145 @@
|
|
|
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 323.693 206.875 237.684 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 322.655 210.276 236.315 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLY A 3 320.242 213.141 237.010 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 320.396 216.830 237.951 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 321.311 219.235 235.141 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLU A 6 324.637 220.815 234.164 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA TRP A 7 326.193 223.743 236.041 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ARG A 8 327.979 222.251 239.058 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 325.853 219.225 239.975 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA SER A 10 324.640 218.485 243.510 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 326.281 218.314 246.944 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA CYS A 12 327.170 219.487 250.458 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 327.208 223.283 250.779 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 324.365 224.806 248.751 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 320.945 224.267 250.341 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA SER A 16 317.275 224.956 249.582 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 314.380 227.181 250.668 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 310.801 227.611 249.432 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 307.977 230.018 248.570 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 304.735 231.552 247.284 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 301.255 232.311 248.636 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 299.053 235.147 247.361 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA CYS A 23 297.815 238.647 248.214 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA CYS A 24 295.519 241.114 249.992 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA SER A 25 293.798 244.070 248.315 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA THR A 26 290.365 245.724 248.278 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA SER A 27 287.143 243.894 247.392 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 286.310 240.366 248.566 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA THR A 29 283.383 238.363 247.175 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA SER A 30 282.040 235.051 248.495 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ALA A 31 281.172 232.455 245.846 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA VAL A 32 278.600 233.427 243.209 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ALA A 33 274.948 234.318 243.834 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 272.168 232.756 245.919 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA SER A 35 271.301 229.063 245.565 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA SER A 36 271.399 226.820 248.644 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 268.082 224.957 248.842 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 264.782 225.447 250.683 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLN A 39 265.503 224.361 254.263 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA THR A 40 268.821 222.898 255.434 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ALA A 41 270.605 220.973 258.195 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ALA A 42 268.068 220.011 260.870 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 265.557 222.776 261.622 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 266.711 226.353 260.996 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA CYS A 45 266.024 230.089 261.283 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 263.983 232.137 258.801 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLY A 47 263.151 229.934 255.806 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ALA A 48 259.662 230.717 254.492 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ARG A 49 257.648 231.947 257.483 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLY A 50 256.137 229.364 259.840 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA LEU A 51 256.151 229.553 263.646 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA VAL A 52 253.401 230.391 266.145 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLY A 53 249.927 231.938 266.388 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLU A 54 246.925 232.319 264.074 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 246.489 235.959 263.037 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ARG A 56 243.023 237.284 262.172 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA VAL A 57 241.405 240.625 263.031 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA SER A 58 239.297 243.793 263.212 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA SER A 59 239.143 245.902 260.043 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ASN A 60 235.549 247.126 259.733 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLY A 61 232.700 249.173 258.245 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA LEU A 62 229.039 250.123 257.784 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 225.818 249.899 259.806 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA SER A 64 223.261 252.220 258.194 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ARG A 65 219.577 252.667 257.331 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA LEU A 66 218.700 252.099 253.667 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA PRO A 67 220.590 252.762 250.426 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA LEU A 68 219.962 256.380 249.410 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA PRO A 69 217.767 259.401 248.652 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA PRO A 70 217.691 259.876 244.873 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA LYS A 71 218.106 257.014 242.392 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA PRO A 72 217.927 253.412 241.164 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA LEU A 73 219.412 250.025 240.248 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ARG A 74 222.779 250.658 238.580 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA PRO A 75 224.901 247.496 238.472 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ALA A 76 228.688 247.415 238.062 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA PRO A 77 231.826 248.798 236.402 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ALA A 78 232.218 252.574 236.720 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ASP A 79 230.156 255.771 236.938 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ARG A 80 231.375 259.185 238.109 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA CYS A 81 230.895 262.624 239.678 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ARG A 82 234.077 264.708 239.457 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA SER A 83 233.619 267.201 236.612 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ARG A 84 236.469 269.729 236.551 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA MET A 85 239.939 271.120 237.285 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA PRO A 86 241.210 274.118 239.263 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA PRO A 87 243.337 273.889 242.416 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA SER A 88 245.163 270.546 242.462 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA LEU A 89 243.522 267.859 244.607 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ARG A 90 240.874 265.124 244.748 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA SER A 91 239.790 262.309 247.075 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ARG A 92 241.158 262.425 250.629 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ARG A 93 242.706 261.511 253.988 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA LEU A 94 241.106 258.388 255.472 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA SER A 95 239.669 255.755 257.821 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA PRO A 96 237.788 254.786 260.990 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA GLY A 97 234.655 255.046 263.141 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA LEU A 98 234.307 253.948 266.773 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA PRO A 99 231.664 252.019 268.725 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA THR A 100 228.195 252.172 267.158 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA VAL A 101 224.886 252.997 268.857 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ALA A 102 225.409 256.382 270.525 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA PRO A 103 228.348 258.324 269.072 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA LEU A 104 228.216 258.203 265.267 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ALA A 105 225.949 259.472 262.480 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA THR A 106 226.431 262.632 260.406 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ARG A 107 228.263 263.274 257.128 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA HIS A 108 232.065 263.262 256.874 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA LEU A 109 235.665 263.720 258.033 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA LEU A 110 238.457 265.290 260.097 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA PRO A 111 239.539 268.938 259.897 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA ALA A 112 239.732 270.290 263.454 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ALA A 113 236.791 271.692 265.430 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA GLY A 114 233.384 273.061 264.414 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA LEU A 115 232.632 272.116 260.800 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA PRO A 116 231.359 272.498 257.230 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA SER A 117 232.692 270.977 254.001 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA PRO A 118 231.185 271.546 250.548 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA LYS A 119 227.569 272.630 250.035 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA LYS A 120 224.883 273.895 247.647 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ILE A 121 221.606 272.889 245.985 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA ARG A 122 218.625 275.027 244.956 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLU A 123 217.228 275.779 241.492 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA LYS A 124 213.768 276.561 240.102 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ARG A 125 210.148 277.054 239.020 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA LEU A 126 208.147 280.008 237.685 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA LYS A 127 209.052 283.124 239.682 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA ARG A 128 209.660 284.177 243.293 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA ARG A 129 208.376 287.102 245.369 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA GLU A 130 207.281 285.981 248.841 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA ALA A 131 203.608 285.018 249.163 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA GLU A 132 200.079 286.369 248.678 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA GLU A 133 198.879 284.999 245.332 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA LYS A 134 195.579 284.789 243.439 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA SER A 135 192.365 282.771 243.097 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ARG A 136 190.980 279.538 241.633 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA GLY A 137 190.582 277.690 238.325 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA ARG A 138 187.671 275.765 236.796 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA LEU A 139 187.768 272.531 234.784 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA THR A 140 185.794 270.235 232.472 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA PHE A 141 185.662 266.441 232.145 1.00 0.00 C
|
| 144 |
+
TER 142 PHE A 141
|
| 145 |
+
END
|
Plants/Q84MR0/Q84MR0.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:b8f7fc70a803d8840f248de42bf7facaaa346f3cf2ba271624667105f4e2f9f0
|
| 3 |
+
size 5960276
|
Plants/Q84MR0/top.pdb
ADDED
|
@@ -0,0 +1,47 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 280.527 230.500 240.493 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PRO A 2 283.982 230.762 242.075 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PRO A 3 286.239 227.758 242.707 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASN A 4 284.883 225.492 245.454 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA LEU A 5 281.442 226.468 246.768 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA THR A 6 278.210 228.225 247.759 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLY A 7 274.700 229.001 246.497 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA MET A 8 274.850 230.973 243.240 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLU A 9 271.918 232.341 241.229 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA VAL A 10 270.485 235.845 241.661 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 266.965 237.239 242.087 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLU A 12 267.247 240.980 242.750 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 265.962 244.566 242.698 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLU A 14 263.210 246.676 244.277 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA PRO A 15 259.627 247.870 244.775 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 258.437 248.482 248.343 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 256.484 249.161 251.543 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA THR A 18 254.203 246.310 252.632 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA VAL A 19 253.103 244.212 249.648 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLU A 20 250.197 241.944 250.612 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA PRO A 21 246.812 242.192 252.343 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 246.097 244.705 255.116 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 245.917 246.159 258.633 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ASP A 24 244.341 249.627 258.559 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 243.970 253.350 259.278 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLU A 26 243.594 256.135 261.850 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLU A 27 242.104 259.094 263.733 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA MET A 28 239.578 261.428 262.094 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LYS A 29 236.637 263.365 260.639 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLU A 30 233.832 261.390 258.982 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLY A 31 232.399 258.841 256.540 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LYS A 32 232.237 259.640 252.818 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 229.394 260.922 250.631 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLU A 34 227.611 258.715 248.087 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 224.739 260.575 246.413 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LEU A 36 222.691 263.788 246.464 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA VAL A 37 221.680 264.260 250.107 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 224.463 265.586 252.347 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASP A 39 225.216 269.243 251.592 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA MET A 40 223.437 272.451 250.564 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA PRO A 41 224.749 275.512 248.712 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA PHE A 42 226.280 278.846 247.684 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA PHE A 43 229.551 279.372 249.566 1.00 0.00 C
|
| 46 |
+
TER 44 PHE A 43
|
| 47 |
+
END
|
Plants/Q84MX9/Q84MX9.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:a060d0e65d96f0ad7d02f206537ef857859c9ee3b555bc6cba1bdc00d477793a
|
| 3 |
+
size 12080276
|
Plants/Q84MX9/top.pdb
ADDED
|
@@ -0,0 +1,98 @@
|
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 245.956 252.830 238.266 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA VAL A 2 249.004 253.683 236.145 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ALA A 3 251.504 253.199 233.310 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 254.292 253.447 230.726 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA VAL A 5 257.849 253.332 229.365 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ALA A 6 260.113 255.925 227.731 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA SER A 7 261.854 258.737 229.621 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 259.861 260.300 232.467 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 258.293 262.264 235.331 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA SER A 10 255.314 263.614 237.286 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 256.125 266.292 239.872 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA THR A 12 256.860 267.296 243.473 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LEU A 13 256.291 268.939 246.863 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA PRO A 14 254.069 270.746 249.376 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 254.367 274.533 249.083 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA SER A 16 254.389 276.282 252.467 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 257.557 277.146 254.399 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LEU A 18 260.507 278.192 252.227 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 261.022 275.943 249.195 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 261.415 272.230 249.953 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLY A 21 264.083 269.514 250.124 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 265.621 268.809 246.711 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 268.854 270.625 245.836 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 272.060 268.711 246.594 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 273.554 267.310 249.807 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 274.414 263.600 249.895 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA CYS A 27 273.345 261.293 252.733 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 274.288 257.749 251.702 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA VAL A 29 271.205 255.538 251.346 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ALA A 30 268.395 256.527 248.970 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA TYR A 31 266.631 253.975 246.758 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA SER A 32 265.176 251.450 244.304 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA SER A 33 264.595 247.840 243.232 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ALA A 34 264.836 244.086 243.839 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ILE A 35 265.802 241.805 246.733 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LEU A 36 267.219 238.419 247.754 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA PRO A 37 267.331 235.012 249.457 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA SER A 38 267.148 231.226 249.072 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 266.378 228.596 251.718 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA PRO A 40 267.167 226.804 254.986 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 264.920 226.398 258.036 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA LEU A 42 261.914 226.258 260.373 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA PRO A 43 258.275 227.373 260.194 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA VAL A 44 257.414 229.623 263.146 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLU A 45 256.273 233.257 263.089 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 253.143 234.725 261.486 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ASP A 47 250.257 232.665 260.091 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 248.734 231.775 256.714 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 246.263 234.212 255.142 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLY A 50 246.821 235.866 251.755 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ARG A 51 246.777 238.478 248.981 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA PRO A 52 249.066 240.580 246.777 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASP A 53 247.690 243.450 244.683 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA PRO A 54 245.185 245.750 242.964 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA MET A 55 241.793 245.014 241.393 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ALA A 56 238.193 245.833 242.332 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA THR A 57 236.743 242.712 243.968 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA THR A 58 235.053 239.298 243.973 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLU A 59 236.352 235.998 245.366 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ARG A 60 239.135 236.500 247.918 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA THR A 61 240.447 239.396 250.019 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ALA A 62 239.622 239.473 253.738 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLY A 63 241.376 238.139 256.845 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 241.020 238.552 260.616 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 243.350 236.169 262.464 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ARG A 66 242.715 233.902 265.459 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA SER A 67 242.065 232.486 268.936 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 239.145 234.547 270.257 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA SER A 69 236.385 236.330 268.329 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ASP A 70 235.627 237.347 264.736 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA SER A 71 233.160 236.774 261.890 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLY A 72 233.430 239.880 259.701 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLU A 73 234.290 242.717 262.094 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ASP A 74 231.077 243.912 263.757 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA HIS A 75 229.444 246.577 261.578 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLY A 76 226.844 246.250 258.812 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLY A 77 224.980 249.567 258.608 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA HIS A 78 226.740 252.011 256.274 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLN A 79 229.908 252.740 254.287 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLN A 80 228.932 254.676 251.154 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ARG A 81 226.825 257.596 249.909 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA TRP A 82 225.721 260.587 247.823 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLN A 83 226.447 262.921 244.901 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA PRO A 84 229.690 264.228 243.388 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA PHE A 85 232.894 263.656 245.369 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA SER A 86 236.420 264.646 246.421 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA TYR A 87 239.680 263.283 247.846 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ALA A 88 239.857 259.547 247.122 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA SER A 89 242.761 257.264 248.057 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ALA A 90 244.062 254.331 246.003 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA SER A 91 245.991 251.179 246.931 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA SER A 92 248.421 249.324 249.204 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA PRO A 93 251.660 249.272 251.210 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLN A 94 254.269 251.136 249.152 1.00 0.00 C
|
| 97 |
+
TER 95 GLN A 94
|
| 98 |
+
END
|
Plants/Q84N45/Q84N45.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:472283f99f816fe98d280a4765e481df4fd37e606007a27b57260d7db05e4720
|
| 3 |
+
size 12920276
|
Plants/Q84N45/top.pdb
ADDED
|
@@ -0,0 +1,105 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 244.640 260.812 221.935 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLU A 2 246.319 263.476 219.790 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLY A 3 246.511 266.698 221.813 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA TYR A 4 248.894 266.431 224.774 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 250.126 262.849 225.185 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ASN A 6 250.712 260.430 228.069 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA HIS A 7 250.307 260.922 231.826 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLN A 8 250.486 261.223 235.620 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA HIS A 9 250.243 264.044 238.169 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA HIS A 10 247.802 265.997 240.347 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASN A 11 248.997 268.851 242.570 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA VAL A 12 249.462 267.265 246.002 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASP A 13 250.045 268.696 249.485 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLU A 14 248.630 266.281 252.068 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA TYR A 15 250.806 266.520 255.186 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 253.108 265.281 257.958 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASN A 17 256.002 264.514 260.314 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 256.009 263.148 263.870 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA LEU A 19 253.998 263.215 267.105 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 255.989 261.291 269.722 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA VAL A 21 255.369 262.840 273.148 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 252.845 262.330 275.955 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA TYR A 23 253.902 264.215 279.093 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 254.368 265.752 282.548 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLU A 25 256.465 266.033 285.717 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 258.902 268.961 285.797 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA TYR A 27 258.052 272.669 285.995 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLY A 28 254.787 274.564 286.510 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA HIS A 29 254.634 275.136 290.274 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLN A 30 252.064 273.492 292.556 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ASN A 31 249.500 271.342 294.378 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA MET A 32 247.612 268.264 293.162 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLN A 33 248.508 264.608 292.571 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 249.788 263.754 289.085 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA PRO A 35 250.351 261.115 286.395 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLY A 36 247.006 260.118 284.869 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLU A 37 244.247 259.233 282.395 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA TYR A 38 242.411 262.073 280.640 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA TYR A 39 243.221 264.601 277.907 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLY A 40 242.542 263.050 274.493 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ASN A 41 241.258 260.457 272.014 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLN A 42 241.431 258.057 269.060 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLY A 43 241.702 258.652 265.306 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA TYR A 44 240.637 259.156 261.683 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 238.503 261.953 260.219 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 235.999 261.176 257.454 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA HIS A 47 236.781 262.742 254.070 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLN A 48 240.339 263.293 252.824 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA HIS A 49 241.668 263.604 249.267 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLY A 50 242.750 266.850 247.591 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ALA A 51 239.778 268.684 246.068 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA TYR A 52 238.361 271.328 243.720 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA SER A 53 236.836 269.722 240.620 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLY A 54 233.204 269.343 239.534 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PRO A 55 232.511 266.247 237.425 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 235.329 263.735 236.914 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA TYR A 57 235.286 262.696 233.248 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLN A 58 237.941 262.533 230.521 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLN A 59 238.928 258.860 230.300 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ASP A 60 238.975 255.502 228.500 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA TYR A 61 239.708 251.981 229.758 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLY A 62 240.802 248.900 231.714 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA SER A 63 238.930 246.017 233.358 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLY A 64 236.515 245.864 236.301 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 233.844 246.143 239.004 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ARG A 66 231.125 245.255 241.520 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA LEU A 67 228.995 242.612 243.250 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLN A 68 229.826 240.042 245.936 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ARG A 69 232.319 239.071 248.650 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA SER A 70 233.594 235.540 248.005 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA GLY A 71 235.281 232.267 248.986 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 237.034 230.282 251.725 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA SER A 73 239.895 227.983 250.706 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA THR A 74 243.195 226.275 249.861 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA SER A 75 243.536 225.296 246.194 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA SER A 76 246.044 222.680 245.020 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLU A 77 249.555 222.759 243.543 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ASP A 78 252.157 225.338 242.496 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ASP A 79 255.410 223.866 241.167 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLY A 80 258.001 222.581 243.647 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA TYR A 81 260.738 220.005 243.026 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLY A 82 264.433 220.738 242.455 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLY A 83 265.311 218.983 239.190 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ARG A 84 263.244 217.989 236.148 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ARG A 85 262.524 214.981 233.923 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA LYS A 86 265.031 212.135 233.558 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA LYS A 87 267.214 210.588 230.845 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA GLY A 88 270.832 211.557 230.148 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA LEU A 89 274.290 212.950 230.933 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA LYS A 90 274.987 214.680 234.256 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ASN A 91 273.479 217.714 235.999 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ARG A 92 270.853 219.416 233.826 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ILE A 93 268.882 220.907 230.926 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA MET A 94 268.565 224.676 230.463 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLU A 95 266.216 227.407 229.221 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ASN A 96 268.247 230.630 229.204 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA LEU A 97 267.775 233.484 226.723 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA PRO A 98 270.511 235.768 225.378 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLY A 99 273.419 236.716 227.650 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ARG A 100 276.187 235.701 230.064 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ARG A 101 277.616 235.542 233.592 1.00 0.00 C
|
| 104 |
+
TER 102 ARG A 101
|
| 105 |
+
END
|
Plants/Q84NK9/Q84NK9.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:b23acef0d40a5269009be2f439c929b673afbf6f4136117096138a3fcc353a6c
|
| 3 |
+
size 15320276
|
Plants/Q84NK9/top.pdb
ADDED
|
@@ -0,0 +1,125 @@
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 270.783 246.096 230.741 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PRO A 2 270.221 245.983 226.974 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PRO A 3 268.988 245.404 223.416 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA THR A 4 265.795 245.570 221.343 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 262.567 247.213 220.161 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 261.313 250.600 221.372 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLU A 7 259.232 251.207 224.505 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLY A 8 257.603 254.236 226.146 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ALA A 9 255.046 256.921 227.020 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 252.023 255.559 228.897 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 250.522 252.160 229.737 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 247.664 250.468 227.871 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LEU A 13 244.024 250.608 228.989 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA VAL A 14 241.644 251.618 231.787 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ALA A 15 240.296 248.861 234.045 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ALA A 16 239.139 245.462 235.319 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 236.982 243.948 238.070 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASN A 18 236.840 240.237 238.922 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 235.809 238.860 242.322 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 235.206 241.600 244.901 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ALA A 21 232.389 243.839 243.652 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 228.727 244.793 244.099 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 225.432 243.109 245.004 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ARG A 24 222.363 240.936 245.619 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA HIS A 25 219.442 241.694 243.292 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA THR A 26 218.215 241.283 239.709 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 215.341 238.787 239.877 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 214.232 236.784 236.831 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ALA A 29 213.351 233.258 235.688 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA THR A 30 210.360 232.944 233.348 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 210.724 235.775 230.825 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 214.194 235.797 229.252 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA SER A 33 216.228 238.771 228.015 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA THR A 34 218.553 241.789 228.068 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA PRO A 35 221.834 240.469 229.486 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA VAL A 36 223.881 237.915 231.437 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLU A 37 226.436 236.896 234.073 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 229.880 236.155 232.623 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 231.593 233.630 234.904 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ARG A 40 232.466 235.086 238.315 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA CYS A 41 229.381 235.999 240.356 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ARG A 42 225.579 235.798 240.493 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ARG A 43 224.066 239.181 239.607 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLN A 44 226.640 241.870 238.797 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 226.746 245.564 237.869 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 230.258 247.039 237.953 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ARG A 47 232.933 249.657 238.665 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA VAL A 48 235.711 251.539 240.469 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA PRO A 49 237.084 255.051 239.921 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA PRO A 50 236.535 258.398 241.656 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA LEU A 51 235.105 261.872 241.022 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA LEU A 52 235.352 265.154 239.103 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASP A 53 236.707 268.020 241.217 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA PRO A 54 240.245 267.355 242.465 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 242.311 264.999 244.631 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ARG A 56 244.708 264.561 247.560 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ALA A 57 245.892 261.155 248.791 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLY A 58 244.158 257.769 249.005 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LEU A 59 244.885 254.797 246.734 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ALA A 60 242.401 255.034 243.855 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLY A 61 244.118 253.921 240.641 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ARG A 62 244.065 250.225 239.718 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 245.706 248.390 242.626 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA THR A 64 246.329 245.499 245.028 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ALA A 65 249.912 245.181 246.284 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ARG A 66 252.868 243.386 244.684 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA TYR A 67 256.659 243.763 244.721 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ALA A 68 258.999 243.567 241.721 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA LEU A 69 259.671 247.083 240.417 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA THR A 70 260.333 250.734 239.552 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA THR A 71 259.520 254.416 240.103 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA PRO A 72 256.613 254.569 242.560 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA LEU A 73 256.736 251.464 244.765 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA PRO A 74 259.817 250.108 246.549 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA PRO A 75 261.908 249.313 249.634 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA PRO A 76 263.246 250.398 253.032 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLN A 77 263.380 252.993 255.818 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLU A 78 264.709 254.340 259.125 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ARG A 79 268.431 253.530 259.094 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLY A 80 270.830 255.426 261.367 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLU A 81 269.419 256.981 264.546 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ARG A 82 267.955 258.506 267.716 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ARG A 83 264.191 259.094 267.653 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ARG A 84 260.713 260.426 266.846 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA GLY A 85 257.855 258.012 266.124 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA LYS A 86 254.110 258.328 265.504 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA GLU A 87 252.059 258.289 268.715 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ALA A 88 251.050 261.255 270.883 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA PRO A 89 250.860 264.688 272.525 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ALA A 90 250.277 267.296 269.810 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ALA A 91 247.885 270.257 269.978 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLY A 92 247.104 271.645 273.439 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA SER A 93 244.906 270.818 276.439 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA PRO A 94 244.045 267.309 277.646 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA LYS A 95 246.460 264.878 279.313 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLU A 96 248.007 261.411 278.993 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA GLU A 97 248.725 258.209 277.058 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ALA A 98 251.517 255.715 276.348 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLY A 99 252.787 253.814 273.300 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA VAL A 100 250.620 250.890 272.174 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ARG A 101 252.861 247.911 271.387 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA THR A 102 256.353 249.320 270.807 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA ARG A 103 259.457 250.472 272.692 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLU A 104 262.519 251.159 274.852 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ARG A 105 264.325 247.950 275.829 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ILE A 106 268.063 247.221 275.703 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ARG A 107 270.708 244.514 275.270 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA GLU A 108 273.587 244.692 277.759 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA ARG A 109 276.157 242.700 279.745 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ALA A 110 279.773 243.302 280.783 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA ALA A 111 282.752 241.415 279.340 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA GLN A 112 284.314 242.054 275.924 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA MET A 113 286.272 242.202 272.659 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA SER A 114 288.978 244.484 271.249 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLU A 115 288.815 247.724 269.252 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA THR A 116 289.993 251.324 268.838 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA GLN A 117 292.477 253.231 266.668 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA CYS A 118 295.211 251.362 264.784 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLU A 119 298.349 253.521 264.872 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA ARG A 120 299.544 255.479 261.830 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA SER A 121 301.060 258.701 260.475 1.00 0.00 C
|
| 124 |
+
TER 122 SER A 121
|
| 125 |
+
END
|
Plants/Q84NN0/Q84NN0.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:02cc90501e61f1872f8c0d0c8322cdcfdd449b5fd1954140cce528b515591c2c
|
| 3 |
+
size 16760276
|
Plants/Q84NN0/top.pdb
ADDED
|
@@ -0,0 +1,137 @@
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|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 256.465 222.099 229.953 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA THR A 2 257.873 225.516 230.880 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ILE A 3 256.137 228.760 231.872 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLU A 4 253.240 229.968 229.712 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLU A 5 253.767 233.540 228.495 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ASP A 6 256.158 236.169 229.868 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLU A 7 258.578 235.210 232.651 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLU A 8 259.673 238.137 234.830 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLU A 9 260.226 241.828 234.062 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 261.394 243.531 230.861 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 258.314 244.416 228.801 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLU A 12 255.186 246.508 228.203 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LEU A 13 254.479 249.491 230.465 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ALA A 14 257.117 249.318 233.210 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ALA A 15 258.412 247.518 236.307 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA TYR A 16 257.197 246.532 239.782 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA VAL A 17 255.861 243.695 241.945 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ARG A 18 252.840 243.733 244.266 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 249.244 242.954 245.256 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 245.717 242.047 246.375 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLY A 21 243.393 240.920 249.176 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 241.524 242.477 252.108 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 240.212 246.002 252.718 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LEU A 24 236.999 246.150 250.676 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLU A 25 233.263 245.493 250.319 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 229.591 246.452 250.655 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 227.157 246.157 247.739 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASP A 28 226.127 247.741 244.431 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 226.023 251.550 244.466 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLU A 30 222.437 252.796 244.784 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA THR A 31 221.096 256.361 244.685 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA TRP A 32 217.909 257.193 246.600 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLY A 33 214.739 259.145 247.413 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ALA A 34 215.764 262.353 249.194 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 215.996 265.654 251.082 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASP A 36 217.672 267.503 253.961 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 221.012 266.164 255.213 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 224.725 266.491 254.422 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA SER A 39 226.113 267.093 250.925 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA HIS A 40 224.598 265.781 247.685 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 220.809 266.079 247.414 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 218.559 265.428 244.410 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ARG A 43 218.593 262.093 242.567 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ARG A 44 218.197 259.949 239.442 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 220.479 257.116 238.309 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ARG A 46 223.680 255.382 237.186 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ARG A 47 227.484 255.589 237.182 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LEU A 48 228.895 258.136 239.640 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ALA A 49 232.693 257.838 239.650 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA THR A 50 234.881 260.625 241.052 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA THR A 51 236.516 261.342 244.418 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA MET A 52 239.087 263.475 246.251 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA THR A 53 240.861 265.403 243.485 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA TRP A 54 239.861 264.880 239.846 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ALA A 55 242.180 264.979 236.824 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ALA A 56 245.713 264.002 237.865 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLU A 57 248.577 261.500 238.092 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLY A 58 247.566 258.387 240.040 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ARG A 59 247.892 254.627 239.516 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 251.259 253.100 238.593 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ARG A 61 250.973 250.403 235.917 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLY A 62 248.355 247.638 236.044 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLN A 63 246.287 245.184 233.990 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLY A 64 243.875 242.815 235.747 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA LEU A 65 243.618 241.684 239.377 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ARG A 66 240.550 241.219 241.588 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ARG A 67 239.212 239.109 244.464 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 239.236 235.326 244.012 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA LEU A 69 241.917 232.651 243.597 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ARG A 70 241.525 229.172 245.100 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA SER A 71 242.000 226.900 248.121 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ARG A 72 243.665 225.759 251.352 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA PRO A 73 246.298 223.031 250.976 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 245.411 220.061 253.192 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA THR A 75 248.324 217.883 254.327 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA VAL A 76 250.530 216.741 257.215 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ARG A 77 253.163 214.629 258.982 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA LYS A 78 254.540 212.180 261.555 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ALA A 79 255.682 212.041 265.188 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ALA A 80 255.227 214.471 268.087 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA VAL A 81 254.747 218.122 267.109 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA THR A 82 256.108 221.310 268.690 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ALA A 83 258.964 222.821 266.672 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ALA A 84 260.840 220.820 264.027 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA GLY A 85 258.797 220.967 260.815 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ASP A 86 261.265 220.895 257.913 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ARG A 87 263.226 223.314 255.719 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ALA A 88 261.941 226.214 253.608 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA GLU A 89 262.017 229.059 251.075 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA GLY A 90 262.988 232.015 248.876 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ARG A 91 266.070 233.390 247.108 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLY A 92 268.764 235.835 245.977 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ARG A 93 269.735 238.823 248.132 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLY A 94 267.769 241.220 250.347 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLN A 95 267.980 241.828 254.103 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ARG A 96 266.058 244.237 256.342 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA SER A 97 263.640 247.020 257.303 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ARG A 98 263.455 248.695 260.721 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLN A 99 265.192 252.077 260.473 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA PRO A 100 263.169 255.183 261.353 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLY A 101 259.692 254.509 259.948 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA THR A 102 258.393 252.606 256.914 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA ALA A 103 257.244 253.575 253.413 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA ARG A 104 257.993 257.219 252.589 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA GLY A 105 258.204 259.927 255.260 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ALA A 106 257.671 262.132 258.321 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ALA A 107 257.730 264.768 261.071 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA VAL A 108 259.785 264.045 264.197 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA GLU A 109 258.160 262.940 267.462 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA GLY A 110 258.974 264.860 270.650 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA GLY A 111 259.308 267.338 273.525 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA ASP A 112 261.052 268.859 276.552 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA GLY A 113 264.687 267.887 277.144 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA ALA A 114 267.286 267.288 274.423 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLU A 115 270.569 268.650 275.797 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA GLY A 116 270.166 272.161 277.221 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA GLY A 117 268.913 274.562 274.542 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLY A 118 265.489 274.339 272.885 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ARG A 119 263.224 272.146 270.746 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA GLY A 120 259.835 271.951 269.016 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ARG A 121 258.776 273.611 265.755 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA ARG A 122 256.469 274.445 262.840 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA ARG A 123 257.779 273.418 259.412 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA PRO A 124 259.752 276.063 257.507 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA SER A 125 262.686 275.248 255.218 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA GLN A 126 266.483 275.363 254.927 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA HIS A 127 268.472 272.642 253.150 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA GLU A 128 271.804 271.825 251.493 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA ARG A 129 273.798 274.474 249.617 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA GLN A 130 275.698 277.481 250.984 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA THR A 131 279.320 277.450 252.167 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA ASP A 132 280.681 280.982 252.597 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ASP A 133 282.785 282.120 249.631 1.00 0.00 C
|
| 136 |
+
TER 134 ASP A 133
|
| 137 |
+
END
|
Plants/Q84P81/Q84P81.dcd
ADDED
|
@@ -0,0 +1,3 @@
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|
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|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:eac58d09f7897466ce5140f7e3f5d5e0b930f2fb0ec1ebb8396ebb67d81e114e
|
| 3 |
+
size 5720276
|
Plants/Q84P81/top.pdb
ADDED
|
@@ -0,0 +1,45 @@
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA ALA A 1 248.028 280.889 254.204 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PRO A 2 247.636 277.103 254.035 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA SER A 3 243.966 276.195 254.513 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA SER A 4 240.780 277.718 253.083 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA SER A 5 238.543 276.891 250.112 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA SER A 6 239.927 276.268 246.618 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLY A 7 242.540 278.731 245.343 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA THR A 8 245.886 278.753 243.521 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA THR A 9 247.277 275.226 243.151 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA SER A 10 248.587 271.653 243.339 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 248.129 269.715 246.587 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 246.694 267.137 248.997 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA THR A 13 249.393 264.475 249.377 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ALA A 14 248.795 261.603 246.946 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 246.484 258.575 247.030 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 248.006 255.782 249.127 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA THR A 17 249.692 256.610 252.441 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLN A 18 251.691 253.767 254.003 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLN A 19 254.157 251.315 255.559 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA THR A 20 256.404 250.007 258.344 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LYS A 21 256.032 249.575 262.111 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 257.469 246.269 263.346 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 255.280 245.246 266.291 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LEU A 24 253.535 242.073 265.108 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA THR A 25 255.163 239.801 262.520 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA VAL A 26 253.700 236.317 262.032 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA THR A 27 253.285 234.600 258.656 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ILE A 28 252.470 232.230 255.787 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA SER A 29 251.672 231.485 252.136 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LEU A 30 250.696 230.442 248.604 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LYS A 31 248.598 231.585 245.637 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ALA A 32 248.757 232.657 241.984 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA TYR A 33 248.591 230.674 238.735 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 247.269 227.228 237.793 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA PRO A 35 247.373 223.453 238.302 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLY A 36 250.508 221.533 239.303 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 251.896 221.696 242.847 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA THR A 38 253.692 224.514 244.678 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 256.211 227.130 243.527 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 256.201 230.383 241.544 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 258.985 232.697 242.731 1.00 0.00 C
|
| 44 |
+
TER 42 GLY A 41
|
| 45 |
+
END
|
Plants/Q84Q29/Q84Q29.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:48605adeed17a13a7ebf62061fe7bfeadb9be529c7d8a3ecd3d578f90be4a3ec
|
| 3 |
+
size 8000276
|
Plants/Q84Q29/top.pdb
ADDED
|
@@ -0,0 +1,64 @@
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 293.105 238.841 239.479 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLN A 2 289.701 237.811 240.847 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLN A 3 286.470 236.243 242.118 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 285.145 234.611 245.296 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 283.331 231.292 244.836 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 280.316 229.968 246.752 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LYS A 7 278.368 226.715 246.377 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA TRP A 8 278.720 223.041 247.323 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 281.222 220.959 249.304 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA SER A 10 279.350 217.988 250.781 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 277.615 218.376 254.150 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ALA A 12 274.927 220.238 256.105 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 273.427 223.577 257.162 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ALA A 14 271.306 226.278 258.812 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ALA A 15 268.256 226.631 256.556 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA VAL A 16 265.812 229.388 257.526 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 267.202 231.076 260.646 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA VAL A 18 264.865 233.556 262.350 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA VAL A 19 263.873 234.449 265.919 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 264.252 238.147 266.752 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLY A 21 264.557 240.037 263.458 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLU A 22 263.332 243.644 263.531 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLU A 23 261.119 246.723 263.165 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA VAL A 24 257.419 246.068 262.535 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 255.869 244.598 265.691 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 254.066 241.306 265.040 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASP A 27 251.497 239.967 267.515 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 250.174 242.104 270.379 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LYS A 29 250.090 245.775 271.392 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLU A 30 247.784 248.395 272.921 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ASP A 31 245.039 249.501 270.522 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ARG A 32 242.332 250.469 268.021 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 240.996 253.395 265.980 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 237.844 255.533 266.059 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 237.583 258.014 263.180 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LYS A 36 235.882 260.858 261.299 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLU A 37 237.619 263.883 259.769 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 234.777 266.199 258.731 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA THR A 39 233.210 267.022 255.357 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLU A 40 232.505 265.650 251.873 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ARG A 41 231.950 265.012 248.158 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 233.141 267.546 245.574 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ASP A 43 234.063 266.136 242.157 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 236.077 268.182 239.653 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA LEU A 45 238.733 270.116 237.723 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 239.682 270.329 234.039 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLY A 47 238.035 272.011 231.044 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 235.632 271.684 228.106 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 232.033 271.996 226.893 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 228.573 272.066 228.487 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ARG A 51 226.989 270.804 231.714 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 224.014 270.889 234.091 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLY A 53 220.926 273.100 234.399 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA VAL A 54 217.281 272.371 235.233 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA VAL A 55 215.400 273.062 231.992 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 213.555 272.848 228.665 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA LEU A 57 215.174 270.271 226.373 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA THR A 58 217.337 267.458 227.760 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 218.981 264.335 226.325 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 221.467 261.456 226.105 1.00 0.00 C
|
| 63 |
+
TER 61 GLY A 60
|
| 64 |
+
END
|
Plants/Q84QQ0/Q84QQ0.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:dbf2bb9502ce8ba8a0dc717af8d60766c3731fa28b9464fd08299c5d46d37d1e
|
| 3 |
+
size 17240276
|
Plants/Q84QQ0/top.pdb
ADDED
|
@@ -0,0 +1,141 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 256.755 265.872 229.787 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PRO A 2 254.206 268.057 231.588 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PRO A 3 252.193 271.102 232.679 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA TRP A 4 249.319 272.886 234.432 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ALA A 5 245.914 271.875 235.811 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA PRO A 6 242.640 269.965 235.424 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 241.384 270.506 231.868 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 238.980 268.153 230.079 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PRO A 9 239.867 265.884 227.150 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 242.726 263.571 228.146 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA LEU A 11 242.653 260.159 229.841 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 240.955 256.840 230.628 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA VAL A 13 241.598 253.101 230.977 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA VAL A 14 241.982 250.093 233.283 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 240.485 246.631 232.742 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLU A 16 239.303 243.856 235.070 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 241.182 240.844 236.451 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 242.504 237.561 235.038 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 244.665 235.185 232.989 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 242.745 232.998 230.530 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LEU A 21 245.074 230.435 228.943 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA THR A 22 244.796 226.755 227.996 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 247.993 225.336 226.484 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 250.216 222.434 225.410 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 251.620 219.769 223.077 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ARG A 26 250.700 216.386 221.585 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA HIS A 27 249.838 213.771 218.952 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ARG A 28 252.809 212.712 216.814 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA HIS A 29 255.994 211.827 214.920 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA CYS A 30 259.299 213.397 215.983 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 259.989 217.114 215.513 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 259.494 220.892 215.572 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLY A 33 256.592 223.325 215.986 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 252.992 224.354 216.693 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 250.965 226.432 214.225 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLY A 36 248.579 229.401 214.296 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 245.143 229.322 212.652 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA PRO A 38 243.828 225.758 212.363 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA PRO A 39 241.417 224.799 215.153 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA PRO A 40 238.444 223.372 217.060 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA HIS A 41 236.275 220.966 219.065 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA LEU A 42 233.740 220.184 221.800 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLY A 43 230.102 220.598 222.855 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA LEU A 44 229.915 219.585 226.523 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 227.641 219.137 229.547 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 225.103 218.943 232.382 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLY A 47 224.522 221.015 235.525 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 222.723 223.478 237.810 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA CYS A 49 219.343 223.491 239.568 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA PRO A 50 217.482 220.366 240.702 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ARG A 51 220.224 218.016 241.918 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA CYS A 52 222.923 219.970 243.765 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ARG A 53 224.179 223.412 244.809 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA SER A 54 227.594 224.589 243.596 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 231.104 226.030 243.256 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 234.462 227.430 244.386 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLY A 57 237.372 229.879 244.164 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 238.359 233.302 245.515 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ARG A 59 240.413 235.853 247.462 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA CYS A 60 241.097 238.628 249.982 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ARG A 61 238.812 240.830 252.090 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ARG A 62 235.030 241.291 252.063 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA LEU A 63 233.397 242.503 248.841 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLY A 64 235.514 244.816 246.678 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA SER A 65 237.441 247.078 249.063 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLY A 66 239.733 249.376 247.068 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLY A 67 241.697 248.302 243.985 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLU A 68 244.385 250.974 243.596 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ALA A 69 247.556 250.223 245.569 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ALA A 70 250.504 248.963 247.627 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA SER A 71 252.389 246.032 249.168 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA PRO A 72 251.408 245.561 252.819 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA PRO A 73 249.889 242.071 252.980 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLN A 74 250.185 239.007 255.226 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA SER A 75 250.141 238.556 259.009 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA LEU A 76 251.638 239.148 262.462 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLY A 77 251.470 241.131 265.711 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLU A 78 253.468 241.027 268.953 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ARG A 79 251.276 240.923 272.068 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLY A 80 250.144 244.273 273.487 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ALA A 81 246.496 244.831 274.434 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ALA A 82 243.264 245.780 276.215 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ALA A 83 240.476 248.292 276.871 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ALA A 84 240.261 250.490 273.766 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ALA A 85 243.321 252.293 272.387 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ALA A 86 244.104 253.501 268.859 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA LEU A 87 244.493 257.151 267.837 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA SER A 88 247.202 259.493 266.536 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ARG A 89 250.055 261.060 264.557 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA GLU A 90 253.591 262.327 263.919 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA HIS A 91 256.267 259.708 263.215 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLN A 92 258.765 258.683 260.527 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA GLY A 93 261.279 257.296 258.023 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ARG A 94 259.973 253.932 256.802 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLY A 95 256.635 252.098 256.900 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLY A 96 254.371 251.646 259.931 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA GLU A 97 251.553 254.206 259.776 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA GLY A 98 248.724 256.031 257.992 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLY A 99 246.008 258.587 257.216 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA GLU A 100 247.373 261.913 258.477 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ALA A 101 248.705 265.417 257.796 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ARG A 102 249.015 268.987 259.090 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA GLU A 103 248.233 270.536 262.482 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLY A 104 248.713 269.314 266.059 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ARG A 105 249.108 272.323 268.362 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA GLU A 106 252.234 274.258 269.364 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLY A 107 252.773 277.682 270.947 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA ASN A 108 254.969 280.069 268.949 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA GLY A 109 255.032 283.658 270.226 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA LEU A 110 257.383 285.663 267.996 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA GLY A 111 259.634 283.173 266.193 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA ASP A 112 259.777 279.607 264.858 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ARG A 113 262.832 277.594 263.797 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA THR A 114 265.776 275.299 263.033 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ALA A 115 266.659 272.472 265.430 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ALA A 116 267.844 270.816 268.650 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA VAL A 117 268.243 270.184 272.386 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA ASN A 118 270.820 270.278 275.190 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ARG A 119 269.973 271.442 278.718 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA ALA A 120 267.784 271.638 281.830 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA GLU A 121 266.284 271.489 285.329 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA MET A 122 269.099 270.754 287.790 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLY A 123 272.427 272.420 286.976 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA PRO A 124 275.432 272.318 284.636 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ARG A 125 276.843 273.015 281.166 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA GLY A 126 279.200 274.177 278.407 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA ILE A 127 280.797 271.803 275.891 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA GLU A 128 283.445 273.186 273.527 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA SER A 129 281.799 275.031 270.628 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA GLU A 130 280.600 278.606 270.083 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA ALA A 131 279.182 281.387 272.267 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA THR A 132 278.810 280.932 276.032 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA PHE A 133 279.198 283.353 278.948 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA PRO A 134 275.944 284.321 280.677 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA ALA A 135 272.154 284.592 280.395 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA GLN A 136 269.920 283.436 277.533 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA ALA A 137 270.657 279.764 276.832 1.00 0.00 C
|
| 140 |
+
TER 138 ALA A 137
|
| 141 |
+
END
|
Plants/Q84RM3/Q84RM3.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:d6c977abdaba59ce4feb1cc9aca48939328a282605e3e26192afc2b34b711881
|
| 3 |
+
size 16760276
|
Plants/Q84RM3/top.pdb
ADDED
|
@@ -0,0 +1,137 @@
|
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 216.827 266.009 213.446 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLU A 2 220.236 264.849 212.202 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PRO A 3 222.614 265.419 215.124 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA TYR A 4 226.145 266.407 216.161 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 227.264 267.939 219.466 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ASN A 6 228.894 267.160 222.820 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA HIS A 7 230.599 270.292 224.164 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLN A 8 230.387 273.713 225.826 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ILE A 9 228.861 275.426 228.868 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 228.396 279.007 230.083 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASP A 11 230.255 281.514 227.898 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLN A 12 233.969 281.151 228.668 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LEU A 13 237.749 281.132 229.140 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 240.554 280.489 226.643 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LYS A 15 242.872 277.935 225.024 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA THR A 16 241.660 274.400 225.767 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASP A 17 239.458 271.360 225.116 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLU A 18 240.036 267.624 224.640 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA TYR A 19 238.468 264.376 225.868 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 239.659 261.324 227.812 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ASN A 21 242.310 261.081 230.537 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 242.905 259.579 233.988 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA VAL A 23 244.945 259.978 237.181 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA HIS A 24 244.251 256.945 239.380 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA HIS A 25 245.927 254.149 241.353 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA THR A 26 249.697 254.448 241.814 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA PRO A 27 251.512 251.681 243.701 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLY A 28 253.225 248.279 243.599 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 255.898 245.578 243.327 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLU A 30 255.137 243.210 240.441 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA TYR A 31 255.905 239.489 240.727 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 255.148 236.138 242.375 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLY A 33 252.186 234.386 244.010 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PRO A 34 249.879 235.797 246.694 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA HIS A 35 246.326 236.644 247.779 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA VAL A 36 242.889 237.050 246.188 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 241.382 238.937 243.240 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 240.803 242.702 243.309 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLU A 39 243.038 245.138 241.415 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA HIS A 40 242.408 248.851 240.842 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA HIS A 41 241.194 251.637 238.545 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA HIS A 42 239.713 251.679 235.034 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLY A 43 242.103 252.276 232.128 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ALA A 44 245.529 250.696 231.593 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA PRO A 45 247.594 247.505 231.335 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ILE A 46 251.321 248.137 231.813 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA SER A 47 254.615 246.568 230.717 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ILE A 48 255.531 242.880 230.996 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA PRO A 49 259.171 241.842 231.433 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA PRO A 50 260.665 243.456 234.544 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA THR A 51 262.435 245.927 236.841 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA THR A 52 265.091 245.756 239.568 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASP A 53 268.660 245.084 240.720 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA VAL A 54 272.148 243.913 241.711 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PRO A 55 275.171 241.920 240.525 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA HIS A 56 277.646 241.651 243.409 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA HIS A 57 277.788 242.723 247.063 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 274.723 241.866 249.157 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ARG A 59 273.221 238.498 248.200 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA SER A 60 273.587 236.613 244.909 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLY A 61 271.646 236.736 241.633 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA SER A 62 268.764 238.945 240.479 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA SER A 63 265.006 238.315 240.445 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA SER A 64 261.784 238.755 242.429 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA SER A 65 260.908 242.197 243.808 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA SER A 66 261.230 243.267 247.451 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA SER A 67 257.719 243.540 248.905 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA SER A 68 256.550 240.975 251.468 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA GLU A 69 253.286 240.771 253.424 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ASP A 70 250.371 241.691 255.698 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ASP A 71 246.912 243.270 255.943 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLY A 72 243.913 244.544 257.917 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLN A 73 240.493 244.202 256.273 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLY A 74 236.858 244.659 255.228 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLY A 75 236.258 247.653 252.949 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ARG A 76 238.897 250.393 252.749 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ARG A 77 241.843 252.403 251.408 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA LYS A 78 241.977 256.023 252.591 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA LYS A 79 239.651 258.966 251.926 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLY A 80 239.776 262.410 250.301 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ILE A 81 240.250 262.529 246.522 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA LYS A 82 241.153 264.566 243.432 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ASP A 83 243.878 266.184 241.316 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA LYS A 84 246.133 268.533 239.338 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA VAL A 85 249.811 268.176 240.263 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA LYS A 86 253.116 266.321 240.655 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA GLU A 87 256.097 268.012 242.319 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA LYS A 88 257.222 266.348 245.557 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA LEU A 89 258.421 266.548 249.168 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA PRO A 90 259.848 264.001 251.615 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA GLY A 91 259.317 264.092 255.387 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLY A 92 261.668 261.548 256.974 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA HIS A 93 264.568 260.538 259.229 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA LYS A 94 264.837 259.941 262.982 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA ASP A 95 262.689 256.931 263.900 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ASN A 96 263.140 254.229 261.251 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA GLN A 97 261.870 252.576 258.063 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA PRO A 98 260.205 249.149 258.108 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA HIS A 99 261.939 246.344 260.017 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA HIS A 100 262.311 242.557 260.200 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLU A 101 260.460 239.908 262.218 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ALA A 102 258.439 239.721 265.442 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA GLY A 103 260.667 240.590 268.408 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA TYR A 104 259.421 240.351 272.001 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA GLY A 105 256.658 242.045 274.003 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA GLY A 106 253.719 244.275 274.957 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLY A 107 253.347 247.927 275.975 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA TYR A 108 254.654 250.905 273.991 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA GLY A 109 253.295 250.583 270.446 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ALA A 110 255.223 249.698 267.281 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA GLN A 111 252.852 248.755 264.452 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA PRO A 112 251.112 245.444 265.178 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA GLU A 113 250.114 243.469 262.077 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA PRO A 114 248.462 240.038 262.203 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLU A 115 244.844 239.544 263.290 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA LYS A 116 243.261 240.688 266.561 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA LYS A 117 240.294 238.887 268.133 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLY A 118 238.494 237.029 270.931 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA MET A 119 237.700 234.805 273.920 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA MET A 120 239.458 233.845 277.162 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ASP A 121 242.427 236.006 278.177 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA LYS A 122 244.828 235.080 280.986 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA ILE A 123 247.256 236.480 283.567 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA LYS A 124 249.904 237.866 285.931 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA GLU A 125 250.914 236.008 289.100 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA LYS A 126 252.812 235.941 292.403 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA LEU A 127 256.582 236.004 292.947 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA PRO A 128 258.390 233.343 290.905 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA GLY A 129 256.532 230.037 291.272 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA GLY A 130 254.633 229.497 294.531 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA HIS A 131 253.108 226.076 295.231 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA ARG A 132 253.900 222.458 296.124 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ASN A 133 255.346 219.645 293.999 1.00 0.00 C
|
| 136 |
+
TER 134 ASN A 133
|
| 137 |
+
END
|
Plants/Q84RW5/Q84RW5.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
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|
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|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9bfeafddd0ab8ac8fcbde9626955f0bd68c7bde91a478c3a8bb7cd438807060c
|
| 3 |
+
size 24200276
|
Plants/Q84RW5/top.pdb
ADDED
|
@@ -0,0 +1,199 @@
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|
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|
|
|
|
|
|
|
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|
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|
|
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|
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|
|
|
|
|
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|
|
|
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|
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|
|
|
|
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|
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|
|
|
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|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 312.237 278.128 176.165 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA VAL A 2 310.543 275.163 177.856 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLU A 3 312.874 272.189 177.368 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LEU A 4 314.266 269.474 179.651 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA LYS A 5 314.424 266.561 182.101 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LYS A 6 316.800 263.628 182.618 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LYS A 7 319.623 262.295 184.802 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LYS A 8 322.032 259.451 185.593 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LYS A 9 325.429 260.891 186.543 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA LYS A 10 328.846 261.347 188.164 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA LYS A 11 332.469 261.969 189.169 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 334.742 258.919 188.959 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LYS A 13 338.178 257.382 189.549 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA LYS A 14 338.834 257.848 193.273 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LYS A 15 338.450 254.443 194.939 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 338.621 251.740 197.619 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LYS A 17 340.285 249.093 199.796 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LYS A 18 340.843 250.079 203.434 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA LYS A 19 338.909 250.927 206.605 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA LYS A 20 337.958 249.369 209.949 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LYS A 21 334.413 249.972 211.209 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LYS A 22 332.167 251.423 208.495 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA LEU A 23 329.405 253.838 207.469 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LEU A 24 326.045 255.620 207.711 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ARG A 25 324.278 258.110 205.433 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ARG A 26 326.196 260.968 203.800 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLN A 27 326.932 262.494 200.387 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA VAL A 28 330.251 261.126 199.110 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LEU A 29 332.483 258.603 200.891 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLU A 30 330.957 255.117 200.719 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA VAL A 31 327.950 252.824 201.190 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA SER A 32 326.350 249.675 202.618 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA MET A 33 325.035 246.723 204.636 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ILE A 34 324.021 245.709 208.166 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 321.903 242.710 209.183 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLU A 36 321.839 238.913 208.875 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA LYS A 37 319.049 238.183 206.386 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ARG A 38 315.330 238.851 205.894 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA LYS A 39 313.105 241.933 205.628 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ASP A 40 311.240 242.994 202.479 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ARG A 41 311.180 246.700 201.599 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLU A 42 310.965 249.124 204.530 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ILE A 43 308.318 249.417 207.255 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASP A 44 305.716 246.934 208.512 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLU A 45 302.672 246.512 210.764 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA TRP A 46 303.183 243.186 212.550 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ARG A 47 301.815 240.264 210.523 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 298.986 239.671 208.040 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ARG A 49 297.988 236.411 206.339 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 295.948 233.221 205.921 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLU A 51 295.930 229.435 206.347 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA SER A 52 292.715 227.918 207.716 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA SER A 53 289.599 228.384 205.574 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA SER A 54 287.027 231.167 205.967 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ASN A 55 284.033 233.319 205.006 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA VAL A 56 281.194 235.762 204.309 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ASP A 57 278.615 238.566 204.223 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLY A 58 275.062 237.236 204.575 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 272.261 234.975 205.824 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 271.141 236.565 209.100 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA THR A 61 268.178 238.320 210.731 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ARG A 62 265.122 236.057 210.966 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 263.504 233.885 213.645 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA THR A 64 262.460 231.035 215.949 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ALA A 65 263.622 229.651 219.303 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA THR A 66 266.411 229.980 221.878 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 266.928 231.870 225.145 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ALA A 68 268.908 234.355 227.248 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ALA A 69 270.667 236.171 230.099 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLY A 70 272.657 235.419 233.259 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ALA A 71 272.279 236.927 236.738 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ARG A 72 271.604 237.255 240.473 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ALA A 73 273.411 240.438 241.532 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA MET A 74 276.598 239.450 243.370 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA THR A 75 279.692 237.522 244.477 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLU A 76 282.059 239.832 246.369 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA VAL A 77 284.605 240.468 249.131 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ASP A 78 284.053 240.080 252.881 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ALA A 79 281.721 242.027 255.180 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA SER A 80 278.549 244.136 255.116 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ASP A 81 277.914 246.605 252.285 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLY A 82 276.042 249.922 252.376 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ASP A 83 273.195 251.615 254.259 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA GLY A 84 272.693 255.035 252.655 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ALA A 85 271.522 256.379 249.288 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA THR A 86 272.439 257.457 245.751 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ALA A 87 270.646 258.072 242.446 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA VAL A 88 269.616 256.447 239.157 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ALA A 89 266.476 258.178 237.867 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA GLY A 90 263.904 260.927 237.282 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA VAL A 91 260.101 261.136 237.187 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ASP A 92 256.745 260.437 238.850 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ASN A 93 255.182 257.126 239.905 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLY A 94 255.070 256.348 243.633 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA HIS A 95 256.789 253.123 244.710 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA SER A 96 259.069 250.106 244.246 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA CYS A 97 259.994 246.435 244.674 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA GLY A 98 258.031 243.814 246.622 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLY A 99 254.568 242.251 246.341 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA CYS A 100 251.862 241.016 243.961 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ARG A 101 248.854 243.191 243.102 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ARG A 102 245.344 243.869 241.783 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA ARG A 103 241.715 243.071 242.625 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA ASP A 104 239.617 244.819 245.282 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA GLY A 105 240.106 243.552 248.842 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA CYS A 106 239.658 239.778 249.117 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLY A 107 236.676 237.477 249.685 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA ARG A 108 233.738 236.945 247.318 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA GLY A 109 232.991 233.212 247.451 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA GLY A 110 234.456 231.663 250.608 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA ARG A 111 232.003 232.590 253.373 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA GLU A 112 228.967 230.327 253.794 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA PRO A 113 225.692 231.606 255.262 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA ARG A 114 226.417 234.982 256.874 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA PRO A 115 228.461 234.549 260.060 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ARG A 116 231.860 235.118 261.684 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA MET A 117 234.425 232.939 259.901 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLN A 118 236.812 231.117 262.246 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ALA A 119 235.136 229.914 265.449 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA MET A 120 232.043 228.528 267.189 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ALA A 121 230.134 225.550 265.773 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA THR A 122 226.528 224.855 264.759 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLY A 123 223.956 227.238 266.250 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA MET A 124 223.957 230.973 267.001 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ALA A 125 222.102 233.795 268.765 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA GLY A 126 220.126 236.002 266.370 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA VAL A 127 217.441 235.241 263.776 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA ASP A 128 214.503 236.771 261.893 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA GLU A 129 211.526 235.037 260.267 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA SER A 130 210.328 232.121 262.408 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA HIS A 131 208.422 233.289 265.493 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA ASN A 132 205.378 233.744 267.740 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA CYS A 133 204.573 230.361 269.298 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA ALA A 134 202.546 230.388 272.523 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA ASP A 135 200.166 231.040 275.426 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA VAL A 136 196.562 230.942 274.193 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA GLY A 137 193.171 232.256 273.059 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA GLY A 138 192.609 235.712 274.560 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA ASP A 139 191.505 238.156 271.854 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA ASP A 140 190.697 241.618 270.483 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA GLY A 141 189.181 244.585 268.635 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA CYS A 142 190.278 246.796 265.732 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA ASP A 143 189.317 250.183 264.278 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA CYS A 144 188.533 252.766 266.967 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA GLY A 145 189.489 252.530 270.648 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA GLY A 146 189.318 255.509 273.017 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA ARG A 147 192.701 255.638 274.766 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA GLU A 148 192.192 256.024 278.522 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA PRO A 149 193.954 254.564 281.568 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA ARG A 150 196.961 256.717 282.482 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA LEU A 151 196.617 260.125 284.151 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA ARG A 152 196.450 263.894 283.622 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA MET A 153 195.639 266.490 280.954 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA GLN A 154 193.894 269.812 280.292 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA ALA A 155 195.036 272.822 278.255 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA THR A 156 194.668 275.899 280.473 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA ALA A 157 193.272 277.439 283.666 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA ARG A 158 189.878 275.885 284.430 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA ARG A 159 186.292 275.356 285.603 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA ARG A 160 184.124 277.242 288.104 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA GLY A 161 185.503 280.347 289.829 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA PRO A 162 185.825 280.872 293.589 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA GLN A 163 182.702 280.711 295.766 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA GLY A 164 180.224 279.042 298.130 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA ASP A 165 180.776 280.129 301.739 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA GLU A 166 182.308 281.357 305.004 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA GLY A 167 181.866 281.436 308.788 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA ASP A 168 179.987 278.679 310.627 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA GLY A 169 179.766 276.769 313.917 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA GLY A 170 178.329 276.571 317.440 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA ARG A 171 181.288 275.798 319.712 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA ARG A 172 184.769 277.104 320.548 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA GLN A 173 187.595 274.596 321.034 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA PRO A 174 188.344 273.942 324.712 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA GLN A 175 185.547 273.678 327.285 1.00 0.00 C
|
| 178 |
+
ATOM 176 CA GLY A 176 181.871 274.366 326.556 1.00 0.00 C
|
| 179 |
+
ATOM 177 CA ASP A 177 178.764 272.688 327.986 1.00 0.00 C
|
| 180 |
+
ATOM 178 CA GLU A 178 179.396 269.552 330.056 1.00 0.00 C
|
| 181 |
+
ATOM 179 CA ASP A 179 181.951 267.201 328.487 1.00 0.00 C
|
| 182 |
+
ATOM 180 CA ASP A 180 181.609 266.135 324.846 1.00 0.00 C
|
| 183 |
+
ATOM 181 CA ASP A 181 180.210 266.307 321.306 1.00 0.00 C
|
| 184 |
+
ATOM 182 CA ALA A 182 178.766 264.372 318.359 1.00 0.00 C
|
| 185 |
+
ATOM 183 CA THR A 183 176.687 261.684 316.638 1.00 0.00 C
|
| 186 |
+
ATOM 184 CA MET A 184 176.309 257.892 316.659 1.00 0.00 C
|
| 187 |
+
ATOM 185 CA PRO A 185 177.196 255.713 319.656 1.00 0.00 C
|
| 188 |
+
ATOM 186 CA VAL A 186 174.776 255.234 322.558 1.00 0.00 C
|
| 189 |
+
ATOM 187 CA GLU A 187 175.104 251.721 323.996 1.00 0.00 C
|
| 190 |
+
ATOM 188 CA PRO A 188 174.873 251.173 327.759 1.00 0.00 C
|
| 191 |
+
ATOM 189 CA ASP A 189 178.286 251.615 329.394 1.00 0.00 C
|
| 192 |
+
ATOM 190 CA GLU A 190 180.731 250.871 332.220 1.00 0.00 C
|
| 193 |
+
ATOM 191 CA GLY A 191 183.908 252.959 331.973 1.00 0.00 C
|
| 194 |
+
ATOM 192 CA SER A 192 185.892 255.800 333.557 1.00 0.00 C
|
| 195 |
+
ATOM 193 CA TRP A 193 189.630 255.203 333.131 1.00 0.00 C
|
| 196 |
+
ATOM 194 CA SER A 194 191.553 253.912 330.105 1.00 0.00 C
|
| 197 |
+
ATOM 195 CA THR A 195 194.117 251.195 330.852 1.00 0.00 C
|
| 198 |
+
TER 196 THR A 195
|
| 199 |
+
END
|
Plants/Q84SN7/Q84SN7.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:815c650dcec8f8d49c877e657402d2520d8bde14f55ec6db23690f180a662b8d
|
| 3 |
+
size 8360276
|
Plants/Q84SN7/top.pdb
ADDED
|
@@ -0,0 +1,67 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 250.011 278.129 208.118 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA SER A 2 249.511 274.540 206.941 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 251.628 271.841 208.599 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 254.267 269.629 210.230 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 255.413 266.725 208.046 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 257.476 264.225 210.049 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLY A 7 257.725 261.263 212.433 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA TYR A 8 260.169 259.353 214.645 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LYS A 9 258.338 256.761 216.753 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLU A 10 260.664 253.748 216.921 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 259.301 251.044 219.233 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 258.486 247.489 218.129 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLN A 13 257.668 243.769 218.178 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLU A 14 257.475 240.522 216.194 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLN A 15 257.974 237.199 214.397 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLN A 16 261.114 235.311 215.440 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASP A 17 262.381 234.333 218.898 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLU A 18 260.895 236.880 221.310 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 257.712 238.812 222.116 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ILE A 20 256.532 239.113 225.726 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 256.512 242.512 227.448 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ARG A 22 254.499 242.259 230.672 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLU A 23 254.925 239.634 233.401 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LEU A 24 253.134 237.639 236.108 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA SER A 25 254.018 237.621 239.814 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA VAL A 26 254.785 238.789 243.359 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 253.279 241.631 245.401 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA VAL A 28 255.214 243.567 248.051 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ALA A 29 255.157 247.377 248.067 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA THR A 30 253.299 250.174 249.867 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLU A 31 249.703 249.980 248.623 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA VAL A 32 246.766 248.855 250.773 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA SER A 33 245.185 245.817 252.441 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 242.400 244.770 254.822 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ASN A 35 241.073 243.172 258.016 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLY A 36 242.421 239.610 258.116 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA CYS A 37 241.718 238.171 261.573 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 239.620 235.365 263.070 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASP A 39 236.146 235.186 264.625 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ASN A 40 233.471 235.696 267.290 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ALA A 41 232.639 239.143 268.685 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA CYS A 42 230.755 240.455 271.725 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 228.847 243.752 271.621 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASN A 44 230.080 246.693 269.536 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA PHE A 45 231.909 249.519 271.320 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 235.660 250.051 270.911 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA TRP A 47 239.411 249.617 270.403 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 241.648 249.252 273.465 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ARG A 49 243.570 251.920 275.391 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLY A 50 246.428 254.153 276.558 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 249.745 254.371 278.419 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLU A 52 253.188 255.919 278.934 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLU A 53 255.719 256.886 281.613 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA PRO A 54 255.733 257.318 285.398 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ALA A 55 257.350 258.670 288.572 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA TRP A 56 259.393 261.031 290.757 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA PRO A 57 258.500 264.318 292.463 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ALA A 58 255.092 265.926 291.905 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ALA A 59 251.913 264.347 290.520 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ALA A 60 250.902 260.865 289.349 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ALA A 61 247.532 259.961 290.880 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLU A 62 244.150 259.141 292.431 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA CYS A 63 241.769 258.183 295.247 1.00 0.00 C
|
| 66 |
+
TER 64 CYS A 63
|
| 67 |
+
END
|
Plants/Q84ST6/Q84ST6.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:8df227748620b14e28a2c4d22006a767535dba6d0c4f22fd9e112e91f495dd5d
|
| 3 |
+
size 6800276
|
Plants/Q84ST6/top.pdb
ADDED
|
@@ -0,0 +1,54 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 237.936 234.531 224.012 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 237.970 230.828 223.115 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA SER A 3 238.080 227.306 221.667 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 239.815 224.102 222.781 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ALA A 5 238.770 220.441 222.633 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ILE A 6 241.538 218.241 224.053 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA VAL A 7 243.868 219.091 226.945 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA THR A 8 244.444 222.515 228.513 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA VAL A 9 242.760 225.908 228.926 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 243.080 227.940 232.133 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PHE A 11 246.409 229.351 233.333 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA THR A 12 250.021 230.510 232.978 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 252.380 231.292 230.091 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA PRO A 14 255.601 233.321 229.924 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ARG A 15 256.472 236.682 231.492 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ALA A 16 253.924 239.125 232.925 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA THR A 17 250.996 239.335 235.355 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 250.262 243.045 235.814 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 248.363 245.555 233.666 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 245.291 246.899 235.475 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 243.180 246.541 238.627 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 240.302 244.954 240.554 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA SER A 23 239.968 244.224 244.278 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA PRO A 24 241.849 245.338 247.398 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PHE A 25 242.684 246.073 251.042 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA SER A 26 243.016 249.663 252.274 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 245.817 251.126 250.146 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ALA A 28 249.422 252.324 249.850 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 252.828 253.910 249.223 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA THR A 30 255.390 253.720 252.036 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA PRO A 31 258.917 255.112 251.657 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA PHE A 32 259.471 258.738 252.686 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ALA A 33 260.819 261.771 254.556 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PRO A 34 261.437 262.127 258.299 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA HIS A 35 261.181 260.573 261.768 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 260.314 259.187 265.210 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLU A 37 258.023 261.203 267.491 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASN A 38 256.245 264.171 269.086 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA SER A 39 257.400 267.586 270.319 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 260.205 269.144 272.375 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLU A 41 260.918 271.625 275.177 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA LEU A 42 258.183 273.683 276.851 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA CYS A 43 257.186 277.338 277.257 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA LEU A 44 254.613 280.060 277.953 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 254.926 280.857 281.666 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA PRO A 46 252.301 280.523 284.408 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA PHE A 47 250.764 279.023 287.555 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LYS A 48 247.803 276.632 287.733 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 248.462 273.876 285.187 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLN A 50 248.396 272.881 281.509 1.00 0.00 C
|
| 53 |
+
TER 51 GLN A 50
|
| 54 |
+
END
|
Plants/Q84SW4/Q84SW4.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9f238ba6a43a49ffe5f8bafcf7223d112147c6e7a704d00ce8cec2ccbbd90ae6
|
| 3 |
+
size 5600276
|
Plants/Q84SW4/top.pdb
ADDED
|
@@ -0,0 +1,44 @@
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 242.321 238.312 220.004 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA SER A 2 241.855 235.912 222.926 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 239.022 233.456 222.247 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 237.143 232.762 225.487 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 237.585 235.569 228.025 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA CYS A 6 239.082 237.566 230.903 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 241.666 240.362 230.742 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 240.687 242.547 227.778 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PRO A 9 239.858 245.457 225.463 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA HIS A 10 238.770 248.812 226.902 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 240.019 250.179 230.232 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLU A 12 241.721 251.726 233.269 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 241.250 253.493 236.611 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLU A 14 240.416 255.905 239.440 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ALA A 15 238.359 254.754 242.433 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLU A 16 238.627 257.053 245.459 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASP A 17 241.848 258.148 247.175 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLU A 18 245.605 257.754 246.683 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLU A 19 248.703 258.614 248.728 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ARG A 20 251.591 260.002 250.789 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA HIS A 21 252.876 259.170 254.278 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 253.335 255.620 255.584 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA HIS A 23 256.840 254.335 254.822 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA VAL A 24 257.436 253.762 251.102 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASP A 25 260.528 255.765 250.134 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 264.060 255.479 251.534 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA LEU A 27 265.752 255.878 254.924 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA LEU A 28 264.914 254.127 258.202 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA CYS A 29 264.471 251.235 260.642 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA THR A 30 263.639 251.988 264.284 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LEU A 31 264.309 250.459 267.708 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA THR A 32 261.334 250.437 270.088 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA THR A 33 257.990 251.813 268.887 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 254.761 251.700 270.907 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 252.928 250.345 273.959 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA PRO A 36 251.250 249.459 277.263 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLU A 37 253.682 250.506 280.002 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ARG A 38 254.620 248.897 283.326 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 258.168 249.848 284.336 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLY A 40 260.982 250.794 286.724 1.00 0.00 C
|
| 43 |
+
TER 41 GLY A 40
|
| 44 |
+
END
|
Plants/Q84SW5/Q84SW5.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:82d618150649b7fa4fa0dd80bf5b13878a2ae6f0c10aaa95554abe48270443f6
|
| 3 |
+
size 16280276
|
Plants/Q84SW5/top.pdb
ADDED
|
@@ -0,0 +1,133 @@
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 251.341 228.823 193.030 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PRO A 2 253.903 230.357 195.396 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLY A 3 256.904 230.271 197.742 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 258.568 232.120 200.628 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 261.934 230.736 201.755 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ASN A 6 262.965 228.167 204.373 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA VAL A 7 263.234 226.944 207.971 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 265.765 228.524 210.340 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA VAL A 9 267.735 230.991 212.473 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLU A 10 271.424 230.666 211.576 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 275.065 229.677 212.104 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 278.082 227.382 212.488 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 278.329 225.505 215.794 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA HIS A 14 279.430 226.902 219.164 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 280.611 228.746 222.282 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PRO A 16 280.419 232.517 222.789 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA VAL A 17 278.347 233.907 219.909 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASN A 18 276.156 237.022 220.026 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 274.673 239.804 222.165 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 271.717 238.944 224.409 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLN A 21 267.934 239.046 224.850 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 265.494 237.577 227.381 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA SER A 23 262.624 236.079 229.389 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA SER A 24 259.947 233.778 230.824 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 256.487 233.410 232.376 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ASP A 26 256.668 231.926 235.880 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA HIS A 27 258.513 228.653 236.514 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASP A 28 262.217 227.792 236.743 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ALA A 29 264.077 227.730 233.419 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 262.068 227.664 230.182 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA VAL A 31 258.423 226.767 229.534 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 257.164 223.194 229.126 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 258.392 222.050 225.706 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 256.379 223.690 222.918 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA LEU A 35 252.914 222.195 222.395 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA PRO A 36 250.324 224.981 222.172 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 248.005 228.000 222.019 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA VAL A 38 248.359 231.188 219.963 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA SER A 39 245.658 233.794 220.618 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA CYS A 40 246.277 236.943 218.563 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ALA A 41 248.722 235.921 215.826 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 251.312 234.573 213.379 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ARG A 43 252.582 232.512 210.437 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLY A 44 253.608 235.017 207.756 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 256.951 236.377 208.978 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 257.573 240.075 208.307 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ARG A 47 257.010 242.193 211.424 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA CYS A 48 259.669 243.749 213.666 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA PHE A 49 260.378 246.195 216.500 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 262.287 247.245 219.625 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA PRO A 51 265.782 248.682 220.113 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 267.937 250.709 222.513 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLY A 53 268.852 253.877 220.605 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ALA A 54 270.891 256.580 222.354 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ARG A 55 269.866 257.096 225.987 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLN A 56 268.902 260.750 226.469 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA LYS A 57 265.311 261.779 227.218 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 262.842 260.506 224.610 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ARG A 59 259.612 258.664 223.781 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA THR A 60 256.295 257.747 225.417 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ARG A 61 252.873 257.759 227.092 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA VAL A 62 251.291 254.935 229.101 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLU A 63 251.780 255.585 232.823 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLY A 64 250.817 257.941 235.658 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA SER A 65 251.391 261.655 236.280 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA PRO A 66 248.692 264.325 236.605 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 249.912 267.625 238.068 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ARG A 68 249.449 271.238 236.952 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA CYS A 69 247.907 274.527 238.102 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ALA A 70 244.242 274.317 239.122 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ARG A 71 241.003 273.970 237.146 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ARG A 72 237.314 274.777 237.649 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA LYS A 73 235.036 271.788 237.026 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLU A 74 232.594 271.859 239.949 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA LEU A 75 232.042 271.718 243.716 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ALA A 76 232.995 269.395 246.581 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ILE A 77 230.868 266.234 246.526 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA SER A 78 233.023 263.439 247.962 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLY A 79 233.414 263.694 251.743 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ALA A 80 233.612 267.012 253.606 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ARG A 81 232.866 266.240 257.262 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA VAL A 82 232.600 263.679 260.070 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLY A 83 235.907 263.155 261.888 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA SER A 84 237.168 264.748 265.111 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA GLY A 85 239.056 264.837 268.420 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ARG A 86 240.646 264.735 271.881 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA GLY A 87 240.736 261.189 273.272 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA PRO A 88 238.952 257.833 273.003 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA VAL A 89 235.298 256.811 272.660 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ALA A 90 232.463 254.986 274.434 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ARG A 91 229.838 253.892 271.898 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA SER A 92 228.516 250.326 271.672 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA LEU A 93 230.723 248.341 274.060 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLY A 94 231.450 246.461 277.294 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA ALA A 95 233.073 249.028 279.594 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ARG A 96 234.820 249.152 282.977 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA ARG A 97 238.254 250.484 283.951 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA PRO A 98 237.504 253.687 285.874 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ARG A 99 237.852 256.524 288.393 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ARG A 100 238.109 255.816 292.128 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ALA A 101 240.466 256.646 295.004 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ARG A 102 244.108 256.533 296.117 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA GLY A 103 246.120 257.506 299.202 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLU A 104 249.842 258.213 298.798 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA GLU A 105 252.466 260.812 297.862 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA LEU A 106 253.059 264.456 298.802 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ALA A 107 251.144 267.454 300.166 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA GLY A 108 252.373 269.406 303.199 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA LEU A 109 251.486 270.850 306.611 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ASP A 110 250.879 270.637 310.367 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA ALA A 111 252.847 268.515 312.844 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA SER A 112 254.255 264.975 312.899 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ARG A 113 252.851 261.767 314.401 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA SER A 114 251.823 259.688 311.378 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ARG A 115 249.500 257.008 309.986 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ALA A 116 246.711 258.648 307.974 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA ARG A 117 245.107 262.011 308.775 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLU A 118 241.530 262.955 307.867 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLY A 119 237.751 262.471 307.823 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA SER A 120 235.330 261.677 310.656 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA PRO A 121 232.072 260.348 309.195 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA ALA A 122 229.798 258.614 306.678 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLY A 123 228.041 261.344 304.685 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA ARG A 124 224.278 261.728 304.224 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA THR A 125 220.500 261.394 303.867 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA ARG A 126 217.194 261.340 301.974 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA GLU A 127 216.566 261.485 298.219 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA GLU A 128 215.983 264.402 295.838 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA GLY A 129 218.934 266.693 295.090 1.00 0.00 C
|
| 132 |
+
TER 130 GLY A 129
|
| 133 |
+
END
|
Plants/Q84T26/Q84T26.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:eddb8337dd5d55f723e23a0f9febc8f78c5267d6b2c4ec137c0326f518a32e20
|
| 3 |
+
size 19520276
|
Plants/Q84T26/top.pdb
ADDED
|
@@ -0,0 +1,160 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 294.845 269.753 256.683 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 298.019 267.699 257.154 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ALA A 3 300.124 265.518 254.846 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 298.478 262.679 252.909 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 297.976 259.418 254.814 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 297.287 258.342 258.403 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ALA A 7 294.952 256.055 260.363 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ARG A 8 292.649 257.151 263.193 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 289.172 256.308 264.502 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 286.129 258.589 264.275 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 285.671 260.814 267.334 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 288.136 263.688 267.758 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 291.636 265.084 267.194 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA HIS A 14 294.575 267.195 266.000 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 295.328 270.602 264.470 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 294.628 274.342 264.660 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 292.477 276.039 262.013 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLU A 18 293.841 278.685 259.635 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 291.095 281.261 259.052 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA THR A 20 290.128 284.798 258.016 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 289.456 284.625 254.270 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 292.149 285.225 251.642 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 293.629 282.393 249.566 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA PRO A 24 294.363 278.792 250.571 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASP A 25 292.424 276.093 252.434 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 290.362 272.890 252.520 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 287.184 270.929 251.766 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ARG A 28 283.390 271.255 251.891 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ARG A 29 281.454 267.992 252.230 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 280.886 264.256 252.718 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA PRO A 31 279.012 261.056 253.592 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA PRO A 32 275.807 261.723 255.542 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ALA A 33 276.435 263.107 259.036 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 279.388 264.835 260.712 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ARG A 35 280.786 268.378 260.607 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA SER A 36 282.538 270.875 262.889 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 282.749 273.545 265.599 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 282.705 276.482 268.025 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 285.408 278.673 269.578 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLU A 40 285.760 282.446 269.183 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ARG A 41 282.330 284.104 269.145 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 281.574 284.983 265.516 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLY A 43 281.868 286.154 261.902 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA LYS A 44 280.093 285.512 258.593 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 279.065 283.927 255.284 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 278.680 284.702 251.573 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA VAL A 47 280.063 282.710 248.634 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LYS A 48 278.740 280.014 246.289 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ARG A 49 276.557 277.664 248.346 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 275.988 274.833 250.831 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA SER A 51 277.942 275.375 254.056 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA SER A 52 280.777 277.524 255.422 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ALA A 53 284.275 278.374 254.172 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA HIS A 54 285.821 280.626 251.516 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PRO A 55 286.133 283.332 248.852 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 286.599 285.068 245.493 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA SER A 57 284.007 283.432 243.230 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA THR A 58 283.003 281.202 240.308 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ALA A 59 281.579 280.482 236.848 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA THR A 60 278.275 282.368 236.651 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA THR A 61 275.881 283.898 239.189 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLY A 62 274.666 281.646 242.013 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA THR A 63 270.972 281.527 242.937 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ALA A 64 268.931 284.249 244.652 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA THR A 65 266.242 286.241 246.473 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLU A 66 265.541 287.240 250.082 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 262.403 288.369 251.926 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLU A 68 259.340 286.104 251.966 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ARG A 69 259.225 282.899 249.910 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLY A 70 257.977 282.544 246.328 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA GLY A 71 260.465 281.898 243.516 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLY A 72 260.390 278.545 241.709 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ALA A 73 258.448 275.289 242.083 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 256.575 272.598 244.025 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ARG A 75 257.429 271.398 247.539 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA VAL A 76 256.012 272.601 250.864 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ASP A 77 256.677 270.072 253.635 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLU A 78 257.873 266.512 254.278 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ASP A 79 259.230 263.174 253.039 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLY A 80 262.425 261.541 251.759 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLY A 81 264.219 258.186 251.556 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ALA A 82 267.777 256.856 251.259 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA PRO A 83 270.061 256.483 248.233 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ALA A 84 269.508 257.292 244.551 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA VAL A 85 267.632 256.957 241.252 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA GLY A 86 264.788 254.680 240.139 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA GLY A 87 262.487 254.696 237.102 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ARG A 88 258.837 254.039 236.228 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ASN A 89 258.032 250.340 236.656 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA GLY A 90 258.527 248.827 240.118 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA GLY A 91 255.769 246.410 241.152 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA VAL A 92 254.878 244.584 244.374 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ASP A 93 252.392 241.704 244.167 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLU A 94 251.685 239.539 241.112 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA VAL A 95 247.928 239.187 240.585 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ASP A 96 245.148 236.739 239.691 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA GLU A 97 242.319 236.977 237.151 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ASP A 98 239.298 236.689 234.847 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA VAL A 99 236.535 235.082 232.773 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ALA A 100 235.622 231.801 234.481 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA LYS A 101 233.498 230.850 237.497 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA PRO A 102 230.970 228.110 236.711 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA LYS A 103 228.867 225.255 238.105 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLU A 104 227.867 225.157 241.781 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ALA A 105 224.980 225.054 244.264 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA MET A 106 224.985 226.935 247.577 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA PRO A 107 221.986 227.290 249.899 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA LYS A 108 219.525 225.382 252.095 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA ARG A 109 217.677 228.014 254.139 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA GLU A 110 215.649 230.127 256.575 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA GLU A 111 212.381 231.579 255.262 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA VAL A 112 209.787 228.997 254.204 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ARG A 113 206.357 228.024 252.861 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA CYS A 114 202.911 227.417 251.352 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ASP A 115 199.388 228.711 250.701 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ASP A 116 196.360 229.374 252.917 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA GLY A 117 192.734 230.462 252.488 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLY A 118 189.108 231.584 252.153 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLU A 119 187.220 231.875 255.449 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA PRO A 120 185.592 231.819 258.894 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA LYS A 121 185.046 233.632 262.200 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA LEU A 122 186.962 231.897 264.999 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLY A 123 188.843 228.584 264.972 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA GLY A 124 188.801 226.237 261.972 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ASP A 125 189.778 222.564 262.242 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA GLY A 126 192.186 219.985 260.803 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA GLY A 127 193.767 219.285 257.408 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA GLU A 128 195.642 220.226 254.228 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA ARG A 129 198.467 219.925 251.690 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA GLY A 130 199.460 216.247 251.781 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA ARG A 131 199.234 212.782 250.214 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA ARG A 132 198.360 209.641 248.242 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ARG A 133 196.585 206.350 248.973 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA GLU A 134 194.506 203.434 247.671 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA LEU A 135 195.027 199.660 247.613 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ASP A 136 195.853 196.004 246.929 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA SER A 137 196.726 193.708 244.017 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA GLY A 138 198.647 192.324 241.032 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA GLY A 139 202.344 191.527 240.568 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA GLU A 140 205.410 191.688 238.312 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA ARG A 141 206.415 193.526 235.130 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA GLU A 142 205.543 196.799 233.385 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA ARG A 143 203.392 199.196 235.421 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA ARG A 144 204.153 202.736 236.606 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA VAL A 145 205.359 205.508 238.925 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA ALA A 146 205.709 209.215 239.734 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA GLU A 147 207.546 209.325 243.070 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA THR A 148 211.061 209.043 244.512 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA GLU A 149 214.185 208.305 242.459 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA GLU A 150 214.144 204.594 241.594 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA GLY A 151 210.881 202.702 241.057 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA GLY A 152 210.757 201.624 237.405 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA THR A 153 211.336 204.447 234.913 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA GLY A 154 210.391 207.183 232.435 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA SER A 155 206.877 208.639 232.663 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA ALA A 156 206.225 212.044 234.243 1.00 0.00 C
|
| 159 |
+
TER 157 ALA A 156
|
| 160 |
+
END
|
Plants/Q84TR8/Q84TR8.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:d51ef5fdebf8c2572b3b6f087990ec06f9daf088f637034f7aafcac91ca948bd
|
| 3 |
+
size 10520276
|
Plants/Q84TR8/top.pdb
ADDED
|
@@ -0,0 +1,85 @@
|
|
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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, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 214.295 257.228 275.024 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 216.769 259.692 276.547 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLY A 3 216.372 263.373 275.645 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASP A 4 216.370 267.133 275.034 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLU A 5 217.550 269.926 272.726 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 219.875 270.687 269.805 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ALA A 7 223.410 272.093 270.009 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ALA A 8 226.015 274.540 268.690 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA THR A 9 228.821 275.027 271.220 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 232.450 275.016 270.059 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 234.793 272.073 270.665 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 236.977 270.258 273.204 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA LEU A 13 239.978 272.525 273.811 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ALA A 14 241.698 274.834 276.306 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ARG A 15 244.856 276.593 275.102 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 247.620 276.298 277.708 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLY A 17 249.927 273.338 277.052 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLY A 18 250.804 269.710 276.290 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 251.523 267.508 273.264 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 255.064 268.422 272.194 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA VAL A 21 255.839 267.397 268.607 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA THR A 22 256.435 265.142 265.595 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 256.326 263.856 262.010 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ASP A 24 253.257 261.601 261.891 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 250.453 260.143 264.019 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LYS A 26 249.477 256.740 262.610 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 250.815 253.196 262.201 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ARG A 28 248.114 250.834 260.919 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA VAL A 29 248.565 247.627 258.913 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ALA A 30 251.270 245.112 257.976 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLU A 31 253.437 242.376 256.448 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LEU A 32 256.461 240.888 254.672 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 258.256 240.802 251.312 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA LEU A 34 258.180 244.113 249.428 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA THR A 35 260.479 245.763 246.877 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA THR A 36 264.039 245.256 248.137 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 266.190 245.381 244.995 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA HIS A 38 269.641 243.836 244.524 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA PRO A 39 270.984 240.300 244.982 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA THR A 40 271.794 236.724 246.018 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA VAL A 41 272.651 236.006 249.661 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA VAL A 42 274.649 234.773 252.661 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA THR A 43 273.021 235.819 255.943 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ALA A 44 271.162 239.065 256.666 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA THR A 45 268.912 239.288 259.733 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 267.084 242.630 259.781 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLU A 47 267.156 244.457 256.438 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ASP A 48 264.910 242.841 253.820 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ASP A 49 266.531 239.931 251.970 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLY A 50 264.700 239.140 248.724 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ASP A 51 263.987 238.435 245.048 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 261.888 235.902 243.126 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLY A 53 261.277 232.476 241.575 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ALA A 54 258.437 230.228 242.758 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ALA A 55 258.586 226.522 243.631 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ALA A 56 257.700 223.293 241.813 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA PRO A 57 254.571 223.316 239.639 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ASP A 58 251.327 224.819 238.325 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA MET A 59 248.294 226.818 239.476 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ALA A 60 247.114 229.764 241.584 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLY A 61 248.617 233.265 241.533 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLY A 62 252.126 234.422 242.463 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ASP A 63 254.182 237.619 242.727 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLY A 64 252.512 239.895 245.286 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA LEU A 65 249.102 241.409 244.513 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA LEU A 66 249.030 242.644 240.909 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLY A 67 248.707 244.842 237.814 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 246.191 245.654 235.071 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA GLY A 69 245.647 245.954 231.312 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLY A 70 245.845 245.438 227.542 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ASP A 71 245.860 247.133 224.130 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLY A 72 247.294 249.911 221.953 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ALA A 73 249.941 250.440 219.264 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA THR A 74 249.129 249.645 215.627 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLU A 75 248.755 250.573 211.951 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA HIS A 76 245.180 249.837 210.858 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLY A 77 242.765 249.059 208.016 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA LYS A 78 243.843 248.873 204.366 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ALA A 79 241.182 250.187 201.977 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA TRP A 80 238.779 252.581 200.242 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLU A 81 236.184 251.736 197.584 1.00 0.00 C
|
| 84 |
+
TER 82 GLU A 81
|
| 85 |
+
END
|
Plants/Q84TY0/Q84TY0.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:3c4a832228b074773dccc4844b6b1cbfbe0dca4356c364507d6f2c8bbef75c74
|
| 3 |
+
size 12320276
|
Plants/Q84TY0/top.pdb
ADDED
|
@@ -0,0 +1,100 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 267.907 231.014 237.837 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 269.204 234.584 238.132 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA PRO A 3 268.828 238.375 238.073 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ILE A 4 271.515 240.376 239.887 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA TRP A 5 269.965 243.121 242.027 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLN A 6 267.949 244.101 245.108 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 267.036 245.472 248.544 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLN A 8 269.142 245.698 251.711 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA VAL A 9 268.216 244.368 255.159 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 265.369 243.647 257.585 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 263.799 240.185 257.852 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 261.507 237.209 258.489 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA PRO A 13 263.586 234.016 258.466 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ALA A 14 264.734 231.027 256.401 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 263.580 231.262 252.777 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 263.214 233.983 250.135 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLY A 17 265.382 237.014 249.345 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ARG A 18 263.652 239.948 247.637 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ARG A 19 260.688 240.813 249.869 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLY A 20 258.766 239.603 252.928 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLY A 21 256.437 236.622 252.468 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ALA A 22 257.747 233.339 253.890 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ALA A 23 255.238 230.561 254.603 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ALA A 24 253.015 228.395 252.394 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASP A 25 251.321 228.382 248.981 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 254.009 229.373 246.469 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 253.362 231.847 243.645 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLY A 28 253.708 231.137 239.917 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 255.458 228.619 237.656 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 253.442 226.703 235.053 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 250.439 224.538 235.955 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA MET A 32 248.689 221.709 234.098 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLY A 33 245.328 222.258 232.388 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLY A 34 244.049 223.035 228.884 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 243.114 224.913 225.704 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLU A 36 240.932 226.950 223.337 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 238.576 229.737 224.431 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 237.641 232.258 227.131 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ALA A 39 234.547 231.153 229.060 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA TRP A 40 233.625 231.208 232.757 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 233.749 234.857 233.847 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 230.629 236.211 235.564 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA PRO A 43 229.116 237.849 238.653 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA THR A 44 225.875 239.834 238.928 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ALA A 45 223.344 238.625 236.350 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ARG A 46 222.736 234.955 237.174 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LEU A 47 224.543 234.051 240.405 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA PRO A 48 224.576 232.944 244.050 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ARG A 49 222.137 235.270 245.827 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 222.831 238.790 244.543 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ARG A 51 224.113 242.082 245.970 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA CYS A 52 226.723 244.742 246.763 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLY A 53 229.448 246.777 245.046 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ALA A 54 230.830 250.058 243.689 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PRO A 55 233.145 252.994 242.958 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 235.369 256.087 242.901 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA TRP A 57 236.164 258.935 240.498 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA LEU A 58 239.283 258.824 238.312 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ARG A 59 240.486 256.930 235.232 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLU A 60 242.257 257.463 231.901 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ARG A 61 240.978 260.387 229.819 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA LEU A 62 242.637 263.694 230.727 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA SER A 63 243.604 267.286 231.551 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA THR A 64 242.408 270.375 229.670 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA MET A 65 244.725 273.325 228.998 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ARG A 66 247.112 275.066 231.404 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ASN A 67 249.146 278.017 232.696 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 248.034 278.813 236.252 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA THR A 69 248.807 279.280 239.954 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ALA A 70 247.491 281.168 242.990 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ARG A 71 248.426 281.338 246.680 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA HIS A 72 248.196 277.722 247.856 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ARG A 73 245.370 276.454 250.074 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 246.248 273.099 251.652 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLY A 75 248.629 274.010 254.483 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLY A 76 247.855 272.972 258.066 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLU A 77 249.213 273.626 261.565 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ARG A 78 248.254 273.315 265.239 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLY A 79 250.776 271.890 267.713 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLY A 80 252.429 274.414 270.040 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLY A 81 256.166 274.198 270.747 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ARG A 82 256.976 274.753 274.428 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ARG A 83 259.254 272.673 276.665 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ARG A 84 259.847 269.865 279.171 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ALA A 85 263.590 269.771 279.877 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA THR A 86 264.443 266.107 280.481 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA LEU A 87 268.208 265.558 280.682 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA VAL A 88 270.130 268.227 282.606 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA PRO A 89 269.237 268.105 286.308 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ALA A 90 265.754 268.285 287.842 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA GLY A 91 262.338 269.971 287.764 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA TRP A 92 258.589 269.384 288.099 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ARG A 93 258.288 266.188 290.150 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ASP A 94 259.980 263.447 292.185 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLY A 95 259.210 260.049 290.642 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLY A 96 255.578 260.336 289.528 1.00 0.00 C
|
| 99 |
+
TER 97 GLY A 96
|
| 100 |
+
END
|
Plants/Q84V51/Q84V51.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:7650198fd94d54599b47f748a96b60b23b7f709273271edb2e8c32105a750745
|
| 3 |
+
size 16040276
|
Plants/Q84V51/top.pdb
ADDED
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@@ -0,0 +1,131 @@
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| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-05
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA ILE A 1 283.588 302.712 234.276 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ARG A 2 286.142 302.288 237.071 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA VAL A 3 285.980 303.868 240.535 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASP A 4 284.874 304.003 244.178 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLN A 5 286.028 302.166 247.310 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA TYR A 6 286.744 300.388 250.603 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLY A 7 284.835 300.816 253.872 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ASN A 8 284.494 304.273 255.437 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA THR A 9 284.185 304.686 259.212 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA VAL A 10 286.413 302.480 261.377 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 287.287 298.910 262.382 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA THR A 12 289.822 296.230 261.433 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASP A 13 288.993 292.586 260.691 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLU A 14 286.082 290.640 259.189 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA TYR A 15 285.911 288.655 255.941 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 283.887 286.136 253.923 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASN A 17 285.740 282.920 253.065 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 284.785 279.489 251.711 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ILE A 19 281.483 277.955 250.586 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ARG A 20 280.843 275.500 247.744 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA THR A 21 278.012 272.990 247.299 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ASP A 22 278.409 270.617 250.254 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLU A 23 277.634 271.545 253.867 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA TYR A 24 274.616 272.148 256.114 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 272.465 271.387 259.165 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ASN A 26 269.431 271.274 261.466 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA PRO A 27 269.025 268.370 263.899 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ILE A 28 267.632 264.948 264.826 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA HIS A 29 265.470 261.862 264.258 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA HIS A 30 263.630 259.393 262.015 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA THR A 31 260.945 258.232 259.573 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ALA A 32 257.362 257.928 260.831 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLY A 33 255.156 255.283 259.201 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA THR A 34 252.472 252.927 260.526 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA THR A 35 249.289 250.887 260.052 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 247.466 251.374 256.742 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 249.242 253.951 254.568 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA TYR A 38 247.743 256.416 252.080 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 244.932 258.163 250.193 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ALA A 40 242.153 255.799 249.094 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 240.365 255.539 245.740 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 238.395 254.558 242.630 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA PHE A 43 237.185 252.921 239.409 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASP A 44 235.569 250.139 237.369 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA THR A 45 233.737 250.848 234.104 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA THR A 46 233.534 253.018 230.980 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA THR A 47 235.280 253.583 227.641 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA PRO A 48 238.892 252.459 228.095 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLN A 49 239.825 253.600 231.608 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLY A 50 241.855 256.604 232.779 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA MET A 51 244.815 258.241 234.532 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 248.555 257.525 234.393 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA HIS A 53 249.219 255.029 237.194 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ASP A 54 247.356 251.742 236.699 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA VAL A 55 244.400 250.541 238.780 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA THR A 56 243.975 248.151 241.718 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLY A 57 243.288 244.480 242.470 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA THR A 58 245.378 241.375 241.759 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ARG A 59 246.800 237.845 241.942 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 249.199 237.652 244.895 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA VAL A 61 252.048 235.229 244.171 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA SER A 62 255.825 235.233 244.671 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLY A 63 259.382 236.207 243.713 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA LYS A 64 261.452 233.018 243.471 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA LEU A 65 261.002 229.394 242.386 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA HIS A 66 259.661 229.003 238.841 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ARG A 67 256.623 228.466 236.605 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA SER A 68 254.759 231.253 234.797 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA SER A 69 251.283 232.305 235.951 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLU A 70 248.590 230.908 233.647 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ASP A 71 250.254 228.862 230.898 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ASP A 72 252.935 230.682 228.894 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLY A 73 251.808 230.345 225.271 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA HIS A 74 248.122 230.968 224.532 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLY A 75 247.345 228.805 221.493 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLY A 76 244.724 226.082 221.971 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ARG A 77 245.927 223.981 224.913 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ARG A 78 244.073 224.677 228.168 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA LYS A 79 241.830 223.731 231.098 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA LYS A 80 241.619 226.923 233.168 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA LYS A 81 238.364 228.823 232.607 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLY A 82 236.431 231.323 230.479 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA LEU A 83 233.763 234.044 230.460 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ALA A 84 230.448 235.303 229.068 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA GLU A 85 227.067 236.918 229.760 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA LYS A 86 227.807 240.613 230.321 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ILE A 87 228.322 244.365 229.903 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA LYS A 88 226.247 246.816 231.952 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA GLU A 89 223.261 248.813 233.223 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA LYS A 90 221.858 250.474 236.352 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ILE A 91 223.446 250.593 239.813 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA PRO A 92 226.930 249.978 241.228 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA GLY A 93 229.548 250.636 243.916 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA VAL A 94 233.311 251.214 243.764 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLY A 95 234.179 253.336 246.807 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ASN A 96 233.020 255.272 249.877 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA LYS A 97 231.002 254.020 252.856 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ASP A 98 230.130 251.693 255.745 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA HIS A 99 231.305 248.074 255.937 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ARG A 100 231.759 244.418 256.910 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA SER A 101 229.379 242.144 258.828 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ASN A 102 230.535 241.077 262.297 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA THR A 103 230.179 239.421 265.710 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA SER A 104 228.983 237.053 268.445 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ALA A 105 231.489 234.184 268.554 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA THR A 106 234.842 232.395 268.827 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA THR A 107 238.122 230.715 267.861 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA THR A 108 241.003 232.321 269.767 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA GLN A 109 241.945 230.122 272.732 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ALA A 110 245.000 230.176 275.008 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA TYR A 111 245.460 228.243 278.258 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA ASP A 112 242.877 225.450 278.459 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA GLU A 113 239.608 225.706 280.398 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA GLY A 114 237.370 228.734 279.812 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLU A 115 235.644 229.857 276.606 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA LEU A 116 232.414 230.000 274.591 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA ARG A 117 232.159 227.131 272.096 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLN A 118 231.689 224.409 269.472 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA HIS A 119 230.056 221.656 267.406 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA GLU A 120 227.310 219.631 269.101 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA LYS A 121 228.047 217.218 271.957 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA LYS A 122 228.884 215.169 275.058 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLY A 123 232.008 213.106 275.764 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA VAL A 124 235.420 211.956 277.010 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA MET A 125 238.806 212.855 275.513 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA GLU A 126 242.015 211.082 274.475 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA LYS A 127 242.477 207.346 275.064 1.00 0.00 C
|
| 130 |
+
TER 128 LYS A 127
|
| 131 |
+
END
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Plants/Q84W99/Q84W99.dcd
ADDED
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@@ -0,0 +1,3 @@
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|
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| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:f30045002dddd4479fbc931925457aba7d4b815f477e91fb650a636eb886f1ee
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| 3 |
+
size 20600276
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