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O-methyl-n-[(2s)-4-methyl-2-(sulfanylmethyl)pentanoyl]-l-tyrosine(0QI) Summary

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  • O-methyl-n-[(2s)-4-methyl-2-(sulfanylmethyl)pentanoyl]-l-tyrosine(0QI) Summary
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Molecule Trajectories PCA Clusters Dihedrals QM
Dihedrals Table
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Dih. Atom names Experimental Type
1 C1.1-C2.3-C3.6-C4.76-5-2-0 C1.7-C2.6-C3.3-C4.1 44.498 Flexible
2 C1.1-N.10-CA.11-C.1211-10-9-0 C1.12-N.11-CA.10-C.1 -172.945 Flexible
3 C1.1-N.10-CA.11-CB.1413-10-9-0 C1.14-N.11-CA.10-CB.1 62.364 Flexible
4 O1.2-C1.1-C2.3-C3.65-2-0-1 O1.6-C1.3-C2.1-C3.2 80.469 Flexible
5 O1.2-C1.1-N.10-CA.1110-9-0-1 O1.11-C1.10-N.1-CA.2 1.129 Rigid
6 C2.3-C1.1-N.10-CA.1110-9-0-2 C2.11-C1.10-N.1-CA.3 178.563 Rigid
7 C2.3-C3.6-C4.7-CM.87-6-5-2 C2.8-C3.7-C4.6-CM.3 -172.007 Flexible
8 C2.3-C3.6-C4.7-C5.98-6-5-2 C2.9-C3.7-C4.6-C5.3 64.812 Flexible
9 N.10-C1.1-C2.3-C3.65-2-0-9 N.6-C1.3-C2.1-C3.10 -96.999 Flexible
10 N.10-CA.11-C.12-O.1312-11-10-9 N.13-CA.12-C.11-O.10 158.408 Flexible
11 N.10-CA.11-C.12-OXT.2221-11-10-9 N.22-CA.12-C.11-OXT.10 -16.989 Flexible
12 N.10-CA.11-CB.14-CG.1514-13-10-9 N.15-CA.14-CB.11-CG.10 52.122 Flexible
13 CA.11-CB.14-CG.15-CD1.1615-14-13-10 CA.16-CB.15-CG.14-CD1.11 -2.742 Flexible
14 CA.11-CB.14-CG.15-CD2.1716-14-13-10 CA.17-CB.15-CG.14-CD2.11 175.808 Flexible
15 C.12-CA.11-CB.14-CG.1514-13-10-11 C.15-CA.14-CB.11-CG.12 -70.946 Flexible
16 O.13-C.12-CA.11-CB.1413-10-11-12 O.14-C.11-CA.12-CB.13 -78.299 Flexible
17 CB.14-CA.11-C.12-OXT.2221-11-10-13 CB.22-CA.12-C.11-OXT.14 106.304 Flexible
18 CB.14-CG.15-CD1.16-CE1.1817-15-14-13 CB.18-CG.16-CD1.15-CE1.14 178.263 Rigid
19 CB.14-CG.15-CD2.17-CE2.1918-16-14-13 CB.19-CG.17-CD2.15-CE2.14 -178.153 Rigid
20 CG.15-CD1.16-CE1.18-CZ.2019-17-15-14 CG.20-CD1.18-CE1.16-CZ.15 0.118 Rigid Ring
21 CG.15-CD2.17-CE2.19-CZ.2019-18-16-14 CG.20-CD2.19-CE2.17-CZ.15 -0.363 Rigid Ring
22 CD1.16-CG.15-CD2.17-CE2.1918-16-14-15 CD1.19-CG.17-CD2.15-CE2.16 0.443 Rigid Ring
23 CD1.16-CE1.18-CZ.20-CE2.1918-19-17-15 CD1.19-CE1.20-CZ.18-CE2.16 -0.03 Rigid Ring
24 CD2.17-CG.15-CD1.16-CE1.1817-15-14-16 CD2.18-CG.16-CD1.15-CE1.17 -0.32 Rigid Ring
25 CD2.17-CE2.19-CZ.20-CE1.1817-19-18-16 CD2.18-CE2.20-CZ.19-CE1.17 0.151 Rigid Ring
Dihedrals
 
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