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Summary Geometry Related PDB entries

GB5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C11	doub	1.23Å	1.22Å
C11	C10	sing	1.49Å	1.50Å
C11	N13	sing	1.37Å	1.35Å
N13	O14	sing	1.40Å	1.41Å
N13	HN13	sing	1.01Å	1.00Å
O14	HO14	sing	0.97Å	0.95Å
C10	C9	doub	1.35Å	1.35Å
C10	H10	sing	1.08Å	1.08Å
C9	C1	sing	1.45Å	1.50Å
C9	H9	sing	1.10Å	1.08Å
C1	C6	sing	1.39Å	1.40Å	Aromatic
C1	C2	doub	1.39Å	1.40Å	Aromatic
C2	C3	sing	1.39Å	1.41Å	Aromatic
C2	H2	sing	1.09Å	1.08Å
C3	C4	doub	1.40Å	1.40Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C4	C5	sing	1.39Å	1.39Å	Aromatic
C4	CL1	sing	1.72Å	1.51Å
C5	C6	doub	1.39Å	1.40Å	Aromatic
C5	H5	sing	1.09Å	1.08Å
C6	H6	sing	1.09Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C11	C10	120.4°	122.8°
O12	C11	N13	119.1°	125.5°
C10	C11	N13	120.2°	111.6°
C11	C10	C9	120.0°	120.6°
C11	C10	H10	120.0°	117.9°
C11	N13	O14	121.8°	115.8°
C11	N13	HN13	119.1°	122.1°
O14	N13	HN13	119.1°	122.1°
N13	O14	HO14	109.5°	100.1°
C9	C10	H10	120.0°	121.5°
C10	C9	C1	127.1°	125.3°
C10	C9	H9	116.4°	118.6°
C1	C9	H9	116.4°	116.1°
C9	C1	C6	117.7°	120.0°
C9	C1	C2	124.9°	120.0°
C6	C1	C2	117.4°	120.0°
C1	C6	C5	122.0°	120.0°
C1	C6	H6	119.0°	120.9°
C1	C2	C3	120.6°	120.0°
C1	C2	H2	119.7°	120.8°
C3	C2	H2	119.7°	119.1°
C2	C3	C4	121.6°	120.0°
C2	C3	H3	119.2°	119.2°
C4	C3	H3	119.2°	120.8°
C3	C4	C5	117.8°	120.0°
C3	C4	CL1	120.7°	120.0°
C5	C4	CL1	121.4°	120.0°
C4	C5	C6	120.6°	120.0°
C4	C5	H5	119.7°	120.8°
C6	C5	H5	119.7°	119.2°
C5	C6	H6	119.0°	119.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C11	C10	N13	174.8°	179.7°
O12	C11	N13	O14	7.4°	0.1°
O12	C11	N13	HN13	172.6°	180.0°
O12	C11	C10	C9	7.7°	1.0°
O12	C11	C10	H10	172.3°	179.7°
C10	C11	N13	O14	167.5°	179.7°
C10	C11	N13	HN13	12.5°	0.4°
C11	C10	C9	H10	180.0°	179.3°
C11	C10	C9	C1	177.5°	179.5°
C11	C10	C9	H9	2.4°	0.8°
C11	N13	O14	HN13	180.0°	179.9°
C11	N13	O14	HO14	5.9°	95.9°
N13	C11	C10	C9	167.1°	179.3°
N13	C11	C10	H10	12.9°	0.0°
HN13	N13	O14	HO14	174.1°	84.1°
C10	C9	C1	H9	180.0°	178.7°
C10	C9	C1	C6	177.6°	159.9°
C10	C9	C1	C2	1.1°	20.0°
H10	C10	C9	C1	2.5°	0.2°
H10	C10	C9	H9	177.6°	178.5°
C9	C1	C6	C2	178.7°	179.9°
C9	C1	C2	C3	179.3°	179.9°
C9	C1	C2	H2	0.7°	0.0°
C9	C1	C6	C5	179.5°	179.9°
C9	C1	C6	H6	0.5°	0.1°
H9	C9	C1	C6	2.4°	18.8°
H9	C9	C1	C2	179.0°	161.2°
C6	C1	C2	C3	0.7°	0.0°
C6	C1	C2	H2	179.3°	180.0°
C1	C6	C5	C4	0.3°	0.0°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	H5	179.7°	179.9°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C1	C2	C3	H3	179.8°	180.0°
C2	C1	C6	C5	0.8°	0.0°
C2	C1	C6	H6	179.2°	180.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.4°	0.0°
C2	C3	C4	CL1	179.7°	180.0°
H2	C2	C3	C4	179.9°	180.0°
H2	C2	C3	H3	0.1°	0.0°
C3	C4	C5	CL1	180.0°	180.0°
C3	C4	C5	C6	0.3°	0.0°
C3	C4	C5	H5	179.7°	179.9°
H3	C3	C4	C5	179.7°	180.0°
H3	C3	C4	CL1	0.3°	0.1°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	179.7°	180.0°
CL1	C4	C5	C6	179.7°	180.0°
CL1	C4	C5	H5	0.3°	0.1°
H5	C5	C6	H6	0.3°	0.1°

256158

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