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N-[1h-indol-3-yl-acetyl]valine acid(IAV) Summary

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Molecule Trajectories PCA Clusters Dihedrals QM
Dihedrals Table
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Dih. Atom names Experimental Type
1 O1.1-C10.2-N2.3-C11.43-2-1-0 O1.4-C10.3-N2.2-C11.1 12.793 Rigid
2 O1.1-C10.2-C9.11-C2.1211-10-1-0 O1.12-C10.11-C9.2-C2.1 -110.335 Flexible
3 C10.2-N2.3-C11.4-C12.54-3-2-1 C10.5-N2.4-C11.3-C12.2 -131.53 Flexible
4 C10.2-N2.3-C11.4-C13.87-3-2-1 C10.8-N2.4-C11.3-C13.2 117.449 Flexible
5 C10.2-C9.11-C2.12-C1.1312-11-10-1 C10.13-C9.12-C2.11-C1.2 -111.576 Flexible
6 C10.2-C9.11-C2.12-C7.1716-11-10-1 C10.17-C9.12-C2.11-C7.2 62.386 Flexible
7 N2.3-C10.2-C9.11-C2.1211-10-1-2 N2.12-C10.11-C9.2-C2.3 66.126 Flexible
8 N2.3-C11.4-C12.5-O2.65-4-3-2 N2.6-C11.5-C12.4-O2.3 -161.238 Flexible
9 N2.3-C11.4-C12.5-O3.76-4-3-2 N2.7-C11.5-C12.4-O3.3 23.893 Flexible
10 N2.3-C11.4-C13.8-C14.98-7-3-2 N2.9-C11.8-C13.4-C14.3 50.771 Flexible
11 N2.3-C11.4-C13.8-C15.109-7-3-2 N2.10-C11.8-C13.4-C15.3 -67.315 Flexible
12 C11.4-N2.3-C10.2-C9.1110-1-2-3 C11.11-N2.2-C10.3-C9.4 -163.598 Rigid
13 C12.5-C11.4-C13.8-C14.98-7-3-4 C12.9-C11.8-C13.4-C14.5 -57.676 Flexible
14 C12.5-C11.4-C13.8-C15.109-7-3-4 C12.10-C11.8-C13.4-C15.5 -175.762 Flexible
15 O2.6-C12.5-C11.4-C13.87-3-4-5 O2.8-C12.4-C11.5-C13.6 -41.587 Flexible
16 O3.7-C12.5-C11.4-C13.87-3-4-6 O3.8-C12.4-C11.5-C13.7 143.544 Flexible
17 C9.11-C2.12-C1.13-N1.1413-12-11-10 C9.14-C2.13-C1.12-N1.11 -178.774 Rigid
18 C9.11-C2.12-C7.17-C8.1514-16-11-10 C9.15-C2.17-C7.12-C8.11 179.241 Rigid
19 C9.11-C2.12-C7.17-C3.1817-16-11-10 C9.18-C2.17-C7.12-C3.11 5.155 Rigid
20 C2.12-C1.13-N1.14-C8.1514-13-12-11 C2.15-C1.14-N1.13-C8.12 -3.99 Rigid Ring
21 C2.12-C7.17-C8.15-N1.1413-14-16-11 C2.14-C7.15-C8.17-N1.12 3.577 Rigid Ring
22 C2.12-C7.17-C8.15-C6.1615-14-16-11 C2.16-C7.15-C8.17-C6.12 -179.294 Rigid Ring
23 C2.12-C7.17-C3.18-C4.1918-17-16-11 C2.19-C7.18-C3.17-C4.12 175.612 Rigid Ring
24 C1.13-C2.12-C7.17-C8.1514-16-11-12 C1.15-C2.17-C7.12-C8.13 -6.269 Rigid Ring
25 C1.13-C2.12-C7.17-C3.1817-16-11-12 C1.18-C2.17-C7.12-C3.13 179.645 Rigid Ring
26 C1.13-N1.14-C8.15-C6.1615-14-13-12 C1.16-N1.15-C8.14-C6.13 -176.532 Rigid Ring
27 C1.13-N1.14-C8.15-C7.1716-14-13-12 C1.17-N1.15-C8.14-C7.13 0.308 Rigid Ring
28 N1.14-C1.13-C2.12-C7.1716-11-12-13 N1.17-C1.12-C2.13-C7.14 6.462 Rigid Ring
29 N1.14-C8.15-C6.16-C5.2019-15-14-13 N1.20-C8.16-C6.15-C5.14 178.967 Rigid Ring
30 N1.14-C8.15-C7.17-C3.1817-16-14-13 N1.18-C8.17-C7.15-C3.14 178.38 Rigid Ring
31 C8.15-C6.16-C5.20-C4.1918-19-15-14 C8.19-C6.20-C5.16-C4.15 1.142 Rigid Ring
32 C8.15-C7.17-C3.18-C4.1918-17-16-14 C8.19-C7.18-C3.17-C4.15 2.396 Rigid Ring
33 C6.16-C8.15-C7.17-C3.1817-16-14-15 C6.18-C8.17-C7.15-C3.16 -4.49 Rigid Ring
34 C6.16-C5.20-C4.19-C3.1817-18-19-15 C6.18-C5.19-C4.20-C3.16 -3.174 Rigid Ring
35 C7.17-C8.15-C6.16-C5.2019-15-14-16 C7.20-C8.16-C6.15-C5.17 2.507 Rigid Ring
36 C7.17-C3.18-C4.19-C5.2019-18-17-16 C7.20-C3.19-C4.18-C5.17 1.389 Rigid Ring
Dihedrals
 
Dihedrals Histogram
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