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Summary Geometry Related PDB entries

OYG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C7	doub	1.22Å	1.23Å
C6	C5	sing	1.51Å	1.49Å
N	C7	sing	1.34Å	1.37Å
N	C5	sing	1.36Å	1.39Å
C7	N1	sing	1.34Å	1.37Å
C5	C4	doub	1.39Å	1.38Å
N1	C8	sing	1.35Å	1.38Å
C4	C3	sing	1.46Å	1.46Å
C4	C8	sing	1.47Å	1.44Å
C3	C2	doub	1.36Å	1.35Å
C8	O2	doub	1.22Å	1.23Å
C	C1	sing	1.51Å	1.51Å
C2	C1	sing	1.40Å	1.47Å
N	H1	sing	0.97Å	1.00Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C	H4	sing	1.09Å	1.10Å
C2	H7	sing	1.08Å	1.08Å
C3	H8	sing	1.08Å	1.08Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
N1	H12	sing	0.97Å	1.00Å
C1	O3	doub	1.21Å	1.42Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C7	N	122.3°	118.8°
O1	C7	N1	122.1°	118.9°
C6	C5	N	113.8°	120.4°
C6	C5	C4	127.4°	120.3°
C5	C6	H9	109.5°	109.5°
C5	C6	H10	109.5°	109.5°
C5	C6	H11	109.4°	109.4°
C7	N	C5	123.5°	121.5°
N	C7	N1	115.7°	122.2°
C7	N	H1	118.2°	119.2°
N	C5	C4	118.7°	119.3°
C5	N	H1	118.3°	119.3°
C7	N1	C8	126.7°	120.5°
C7	N1	H12	116.7°	119.8°
C5	C4	C3	117.6°	121.0°
C5	C4	C8	121.0°	118.0°
N1	C8	C4	114.5°	118.5°
N1	C8	O2	119.5°	120.7°
C8	N1	H12	116.7°	119.7°
C3	C4	C8	121.4°	121.1°
C4	C3	C2	126.0°	120.0°
C4	C3	H8	117.0°	120.0°
C4	C8	O2	126.1°	120.7°
C3	C2	C1	119.8°	120.0°
C3	C2	H7	120.1°	120.0°
C2	C3	H8	117.0°	120.0°
C	C1	C2	118.5°	120.0°
C1	C	H2	109.5°	109.4°
C1	C	H3	109.5°	109.5°
C1	C	H4	109.5°	109.5°
C	C1	O3	111.1°	120.0°
C1	C2	H7	120.1°	120.0°
C2	C1	O3	130.5°	120.0°
H2	C	H3	109.4°	109.5°
H2	C	H4	109.5°	109.5°
H3	C	H4	109.4°	109.5°
H9	C6	H10	109.5°	109.4°
H9	C6	H11	109.5°	109.5°
H10	C6	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C7	N	N1	179.3°	180.0°
O1	C7	N	C5	179.4°	180.0°
O1	C7	N1	C8	179.1°	180.0°
O1	C7	N	H1	0.6°	0.2°
O1	C7	N1	H12	0.9°	0.0°
C6	C5	N	C7	177.6°	180.0°
C6	C5	N	C4	178.6°	180.0°
C6	C5	C4	C3	4.6°	0.0°
C6	C5	C4	C8	176.9°	180.0°
C6	C5	N	H1	2.4°	0.2°
C5	C6	H9	H10	120.0°	120.0°
C5	C6	H9	H11	120.0°	120.0°
C5	C6	H10	H11	120.0°	120.0°
C7	N	C5	H1	180.0°	179.8°
C7	N	C5	C4	0.9°	0.1°
N	C7	N1	C8	0.2°	0.0°
N	C7	N1	H12	179.9°	180.0°
C5	N	C7	N1	0.1°	0.0°
N	C5	C4	C3	177.1°	179.9°
N	C5	C4	C8	1.4°	0.0°
N	C5	C6	H9	180.0°	0.1°
N	C5	C6	H10	60.0°	119.9°
N	C5	C6	H11	60.0°	120.0°
C7	N1	C8	H12	180.0°	180.0°
C7	N1	C8	C4	0.3°	0.0°
C7	N1	C8	O2	178.4°	180.0°
N1	C7	N	H1	179.9°	179.8°
C5	C4	C8	N1	1.1°	0.0°
C5	C4	C3	C8	178.5°	179.9°
C5	C4	C3	C2	172.5°	174.4°
C5	C4	C8	O2	177.5°	180.0°
C4	C5	N	H1	179.1°	179.8°
C5	C4	C3	H8	7.5°	5.6°
C4	C5	C6	H9	1.6°	180.0°
C4	C5	C6	H10	121.6°	60.0°
C4	C5	C6	H11	118.4°	60.0°
N1	C8	C4	C3	177.3°	179.9°
N1	C8	C4	O2	178.6°	180.0°
C4	C3	C2	H8	180.0°	179.9°
C3	C4	C8	O2	4.1°	0.1°
C4	C3	C2	C1	179.8°	174.9°
C4	C3	C2	H7	0.2°	5.2°
C8	C4	C3	C2	9.0°	5.7°
C8	C4	C3	H8	171.0°	174.4°
C4	C8	N1	H12	179.7°	180.0°
C3	C2	C1	C	0.2°	180.0°
C3	C2	C1	H7	180.0°	179.9°
C3	C2	C1	O3	179.5°	0.0°
O2	C8	N1	H12	1.6°	0.0°
C	C1	C2	O3	179.3°	180.0°
C1	C	H2	H3	120.0°	119.9°
C1	C	H2	H4	120.0°	120.0°
C1	C	H3	H4	120.0°	120.0°
C	C1	C2	H7	179.8°	0.0°
C2	C1	C	H2	179.4°	180.0°
C2	C1	C	H3	59.4°	60.0°
C2	C1	C	H4	60.5°	60.0°
C1	C2	C3	H8	0.1°	5.0°
H2	C	H3	H4	120.0°	120.1°
H2	C	C1	O3	0.0°	0.0°
H3	C	C1	O3	120.0°	120.0°
H4	C	C1	O3	120.0°	120.0°
H7	C2	C3	H8	179.9°	174.9°
H7	C2	C1	O3	0.5°	180.0°
H9	C6	H10	H11	120.0°	120.0°

222415

PDB entries from 2024-07-10

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