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Summary Geometry Related PDB entries

TMG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	N7	sing	1.36Å	1.34Å	Aromatic
C2	C6	doub	1.41Å	1.39Å	Aromatic
C2	C1	sing	1.40Å	1.39Å	Aromatic
N7	C9	doub	1.31Å	1.29Å	Aromatic
C9	C10	sing	1.48Å	1.46Å	Aromatic
C9	N8	sing	1.37Å	1.35Å	Aromatic
C10	C14	doub	1.37Å	1.33Å	Aromatic
C10	N11	sing	1.33Å	1.44Å	Aromatic
C14	S13	sing	1.79Å	1.80Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
S13	C12	sing	1.74Å	1.78Å	Aromatic
C12	N11	doub	1.31Å	1.26Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
N8	C6	sing	1.38Å	1.42Å	Aromatic
N8	HN8	sing	0.97Å	1.02Å
C6	C5	sing	1.39Å	1.39Å	Aromatic
C5	C4	doub	1.38Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C4	C3	sing	1.39Å	1.41Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C3	C1	doub	1.38Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C1	H1	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N7	C2	C6	104.4°	107.2°
N7	C2	C1	131.3°	133.3°
C2	N7	C9	110.0°	109.6°
C6	C2	C1	124.3°	119.4°
C2	C6	N8	109.9°	106.2°
C2	C6	C5	121.0°	120.0°
C2	C1	C3	114.9°	119.8°
C2	C1	H1	122.3°	120.1°
N7	C9	C10	118.4°	125.1°
N7	C9	N8	113.4°	109.7°
C10	C9	N8	125.5°	125.1°
C9	C10	C14	129.0°	121.1°
C9	C10	N11	118.9°	121.1°
C9	N8	C6	101.0°	107.2°
C9	N8	HN8	115.4°	126.4°
C14	C10	N11	110.9°	117.8°
C10	C14	S13	111.6°	100.6°
C10	C14	H14	111.9°	129.7°
C10	N11	C12	117.0°	121.5°
S13	C14	H14	136.5°	129.7°
C14	S13	C12	88.4°	97.6°
S13	C12	N11	111.6°	102.6°
S13	C12	H12	138.3°	128.7°
N11	C12	H12	110.1°	128.7°
C6	N8	HN8	115.5°	126.4°
N8	C6	C5	127.9°	133.8°
C6	C5	C4	114.8°	119.8°
C6	C5	H5	122.3°	120.1°
C4	C5	H5	123.0°	120.1°
C5	C4	C3	123.4°	120.5°
C5	C4	H4	118.1°	119.7°
C3	C4	H4	118.5°	119.8°
C4	C3	C1	120.8°	120.5°
C4	C3	H3	119.9°	119.8°
C1	C3	H3	119.3°	119.7°
C3	C1	H1	122.9°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N7	C2	C6	C1	178.5°	180.0°
C2	N7	C9	C10	173.2°	180.0°
C2	N7	C9	N8	10.7°	0.5°
N7	C2	C6	N8	3.7°	0.1°
N7	C2	C6	C5	172.2°	180.0°
N7	C2	C1	C3	178.6°	179.9°
N7	C2	C1	H1	1.4°	0.0°
C6	C2	N7	C9	3.9°	0.4°
C2	C6	N8	C9	9.3°	0.3°
C2	C6	N8	C5	167.4°	179.9°
C2	C6	N8	HN8	116.0°	179.9°
C2	C6	C5	C4	10.9°	0.0°
C2	C6	C5	H5	169.1°	180.0°
C6	C2	C1	C3	3.3°	0.0°
C6	C2	C1	H1	176.7°	179.9°
C1	C2	N7	C9	174.5°	179.7°
C1	C2	C6	N8	177.7°	180.0°
C1	C2	C6	C5	9.3°	0.0°
C2	C1	C3	C4	0.0°	0.0°
C2	C1	C3	H1	180.0°	179.9°
C2	C1	C3	H3	180.0°	180.0°
N7	C9	C10	N8	160.2°	179.4°
N7	C9	C10	C14	177.8°	0.0°
N7	C9	C10	N11	16.1°	179.7°
N7	C9	N8	C6	12.1°	0.5°
N7	C9	N8	HN8	113.2°	179.8°
C9	C10	C14	N11	167.0°	179.7°
C9	C10	C14	S13	171.0°	180.0°
C9	C10	C14	H14	9.0°	0.0°
C9	C10	N11	C12	176.1°	179.7°
C10	C9	N8	C6	173.1°	180.0°
C10	C9	N8	HN8	47.8°	0.3°
N8	C9	C10	C14	17.6°	179.4°
N8	C9	C10	N11	176.3°	0.9°
C9	N8	C6	HN8	125.2°	179.7°
C9	N8	C6	C5	176.7°	179.7°
C10	C14	S13	H14	180.0°	179.9°
C10	C14	S13	C12	0.3°	0.0°
C14	C10	N11	C12	7.7°	0.6°
N11	C10	C14	S13	4.0°	0.3°
N11	C10	C14	H14	176.0°	179.8°
C10	N11	C12	S13	7.3°	0.5°
C10	N11	C12	H12	172.7°	179.7°
C14	S13	C12	N11	4.0°	0.2°
C14	S13	C12	H12	176.0°	180.0°
H14	C14	S13	C12	179.7°	179.9°
S13	C12	N11	H12	180.0°	179.8°
N8	C6	C5	C4	177.1°	180.0°
N8	C6	C5	H5	2.9°	0.1°
HN8	N8	C6	C5	51.5°	0.0°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C3	7.9°	0.0°
C6	C5	C4	H4	172.1°	180.0°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	C1	2.7°	0.0°
C5	C4	C3	H3	177.3°	180.0°
H5	C5	C4	C3	172.1°	180.0°
H5	C5	C4	H4	7.9°	0.0°
C4	C3	C1	H3	180.0°	180.0°
C4	C3	C1	H1	180.0°	180.0°
H4	C4	C3	C1	177.4°	180.0°
H4	C4	C3	H3	2.6°	0.0°
H3	C3	C1	H1	0.0°	0.1°

227111

PDB entries from 2024-11-06

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