Project Summary 6-O-CYCLOHEXYLMETHYL GUANINE - Bioactive Conformational Ensemble

Dihedrals Table

Dih.	Atom names	Experimental	Type
1	N1.1-C2.2-N3.3-C4.43-2-1-0 N1.4-C2.3-N3.2-C4.1	0.7	Rigid Ring
2	N1.1-C6.6-C5.5-C4.43-4-5-0 N1.4-C6.5-C5.6-C4.1	-5.043	Rigid Ring
3	N1.1-C6.6-C5.5-N7.98-4-5-0 N1.9-C6.5-C5.6-N7.1	179.277	Rigid Ring
4	N1.1-C6.6-O6.7-C9.87-6-5-0 N1.8-C6.7-O6.6-C9.1	28.433	Flexible
5	C2.2-N1.1-C6.6-C5.54-5-0-1 C2.5-N1.6-C6.1-C5.2	3.781	Rigid Ring
6	C2.2-N1.1-C6.6-O6.76-5-0-1 C2.7-N1.6-C6.1-O6.2	179.448	Rigid
7	C2.2-N3.3-C4.4-C5.54-3-2-1 C2.5-N3.4-C4.3-C5.2	-2.168	Rigid Ring
8	C2.2-N3.3-C4.4-N9.1110-3-2-1 C2.11-N3.4-C4.3-N9.2	177.877	Rigid Ring
9	N3.3-C4.4-C5.5-C6.65-4-3-2 N3.6-C4.5-C5.4-C6.3	4.345	Rigid Ring
10	N3.3-C4.4-C5.5-N7.98-4-3-2 N3.9-C4.5-C5.4-N7.3	-178.706	Rigid Ring
11	N3.3-C4.4-N9.11-C8.109-10-3-2 N3.10-C4.11-N9.4-C8.3	-179.674	Rigid Ring
12	C4.4-N3.3-C2.2-N2.1211-1-2-3 C4.12-N3.2-C2.3-N2.4	-179.429	Rigid
13	C4.4-C5.5-C6.6-O6.76-5-4-3 C4.7-C5.6-C6.5-O6.4	178.904	Rigid
14	C4.4-C5.5-N7.9-C8.109-8-4-3 C4.10-C5.9-N7.5-C8.4	-2.52	Rigid Ring
15	C4.4-N9.11-C8.10-N7.98-9-10-3 C4.9-N9.10-C8.11-N7.4	-2.057	Rigid Ring
16	C5.5-C4.4-N9.11-C8.109-10-3-4 C5.10-C4.11-N9.4-C8.5	0.367	Rigid Ring
17	C5.5-C6.6-O6.7-C9.87-6-5-4 C5.8-C6.7-O6.6-C9.5	-156.095	Flexible
18	C5.5-N7.9-C8.10-N9.1110-9-8-4 C5.11-N7.10-C8.9-N9.5	2.876	Rigid Ring
19	C6.6-N1.1-C2.2-N3.32-1-0-5 C6.3-N1.2-C2.1-N3.6	-1.848	Rigid Ring
20	C6.6-N1.1-C2.2-N2.1211-1-0-5 C6.12-N1.2-C2.1-N2.6	178.271	Rigid
21	C6.6-C5.5-C4.4-N9.1110-3-4-5 C6.11-C5.4-C4.5-N9.6	-175.692	Rigid Ring
22	C6.6-C5.5-N7.9-C8.109-8-4-5 C6.10-C5.9-N7.5-C8.6	173.718	Rigid Ring
23	C6.6-O6.7-C9.8-C10.1312-7-6-5 C6.13-O6.8-C9.7-C10.6	-152.119	Flexible
24	O6.7-C6.6-C5.5-N7.98-4-5-6 O6.9-C6.5-C5.6-N7.7	3.223	Rigid
25	O6.7-C9.8-C10.13-C11.1413-12-7-6 O6.14-C9.13-C10.8-C11.7	-161.341	Flexible
26	O6.7-C9.8-C10.13-C15.1817-12-7-6 O6.18-C9.13-C10.8-C15.7	-34.176	Flexible
27	C9.8-C10.13-C11.14-C12.1514-13-12-7 C9.15-C10.14-C11.13-C12.8	167.454	Rigid
28	C9.8-C10.13-C15.18-C14.1716-17-12-7 C9.17-C10.18-C15.13-C14.8	-165.336	Rigid
29	N7.9-C5.5-C4.4-N9.1110-3-4-8 N7.11-C5.4-C4.5-N9.9	1.258	Rigid Ring
30	C10.13-C11.14-C12.15-C13.1615-14-13-12 C10.16-C11.15-C12.14-C13.13	-47.696	Rigid Ring
31	C10.13-C15.18-C14.17-C13.1615-16-17-12 C10.16-C15.17-C14.18-C13.13	47.389	Rigid Ring
32	C11.14-C10.13-C15.18-C14.1716-17-12-13 C11.17-C10.18-C15.13-C14.14	-42.631	Rigid Ring
33	C11.14-C12.15-C13.16-C14.1716-15-14-13 C11.17-C12.16-C13.15-C14.14	53.901	Rigid Ring
34	C12.15-C11.14-C10.13-C15.1817-12-13-14 C12.18-C11.13-C10.14-C15.15	41.412	Rigid Ring
35	C12.15-C13.16-C14.17-C15.1817-16-15-14 C12.18-C13.17-C14.16-C15.15	-52.337	Rigid Ring

Used for dihedral metric

Dihedrals

Dihedrals Histogram

6-o-cyclohexylmethyl guanine(CMG) Summary