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N-[1h-indol-3-yl-acetyl]glycine acid(IAG) Summary

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Molecule Trajectories PCA Clusters Dihedrals QM
Dihedrals Table
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Dih. Atom names Experimental Type
1 O3.1-C12.2-C11.4-N2.54-3-1-0 O3.5-C12.4-C11.2-N2.1 2.88 Flexible
2 C12.2-C11.4-N2.5-C10.65-4-3-1 C12.6-C11.5-N2.4-C10.2 167.04 Flexible
3 O2.3-C12.2-C11.4-N2.54-3-1-2 O2.5-C12.4-C11.2-N2.3 -174.772 Flexible
4 C11.4-N2.5-C10.6-O1.76-5-4-3 C11.7-N2.6-C10.5-O1.4 15.853 Rigid
5 C11.4-N2.5-C10.6-C9.87-5-4-3 C11.8-N2.6-C10.5-C9.4 -166.555 Rigid
6 N2.5-C10.6-C9.8-C2.98-7-5-4 N2.9-C10.8-C9.6-C2.5 -67.794 Flexible
7 C10.6-C9.8-C2.9-C1.109-8-7-5 C10.10-C9.9-C2.8-C1.6 136.254 Flexible
8 C10.6-C9.8-C2.9-C7.1211-8-7-5 C10.12-C9.9-C2.8-C7.6 -51.539 Flexible
9 O1.7-C10.6-C9.8-C2.98-7-5-6 O1.9-C10.8-C9.6-C2.7 109.852 Flexible
10 C9.8-C2.9-C1.10-N1.1110-9-8-7 C9.11-C2.10-C1.9-N1.8 179.999 Rigid
11 C9.8-C2.9-C7.12-C8.1312-11-8-7 C9.13-C2.12-C7.9-C8.8 -177.848 Rigid
12 C9.8-C2.9-C7.12-C3.1716-11-8-7 C9.17-C2.12-C7.9-C3.8 -2.791 Rigid
13 C2.9-C1.10-N1.11-C8.1312-10-9-8 C2.13-C1.11-N1.10-C8.9 -5.559 Rigid Ring
14 C2.9-C7.12-C8.13-N1.1110-12-11-8 C2.11-C7.13-C8.12-N1.9 1.334 Rigid Ring
15 C2.9-C7.12-C8.13-C6.1413-12-11-8 C2.14-C7.13-C8.12-C6.9 178.778 Rigid Ring
16 C2.9-C7.12-C3.17-C4.1615-16-11-8 C2.16-C7.17-C3.12-C4.9 -177.645 Rigid Ring
17 C1.10-C2.9-C7.12-C8.1312-11-8-9 C1.13-C2.12-C7.9-C8.10 -4.87 Rigid Ring
18 C1.10-C2.9-C7.12-C3.1716-11-8-9 C1.17-C2.12-C7.9-C3.10 170.188 Rigid Ring
19 C1.10-N1.11-C8.13-C7.1211-12-10-9 C1.12-N1.13-C8.11-C7.10 2.551 Rigid Ring
20 C1.10-N1.11-C8.13-C6.1413-12-10-9 C1.14-N1.13-C8.11-C6.10 -174.498 Rigid Ring
21 N1.11-C1.10-C2.9-C7.1211-8-9-10 N1.12-C1.9-C2.10-C7.11 6.436 Rigid Ring
22 N1.11-C8.13-C7.12-C3.1716-11-12-10 N1.17-C8.12-C7.13-C3.11 -174.523 Rigid Ring
23 N1.11-C8.13-C6.14-C5.1514-13-12-10 N1.15-C8.14-C6.13-C5.11 176.208 Rigid Ring
24 C7.12-C8.13-C6.14-C5.1514-13-12-11 C7.15-C8.14-C6.13-C5.12 -0.541 Rigid Ring
25 C7.12-C3.17-C4.16-C5.1514-15-16-11 C7.15-C3.16-C4.17-C5.12 0.975 Rigid Ring
26 C8.13-C7.12-C3.17-C4.1615-16-11-12 C8.16-C7.17-C3.12-C4.13 -3.103 Rigid Ring
27 C8.13-C6.14-C5.15-C4.1615-14-13-12 C8.16-C6.15-C5.14-C4.13 -1.581 Rigid Ring
28 C6.14-C8.13-C7.12-C3.1716-11-12-13 C6.17-C8.12-C7.13-C3.14 2.92 Rigid Ring
29 C6.14-C5.15-C4.16-C3.1716-15-14-13 C6.17-C5.16-C4.15-C3.14 1.389 Rigid Ring
Dihedrals
 
Dihedrals Histogram
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