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Summary Geometry Related PDB entries

A1AP8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.51Å
C1	O	sing	1.43Å	1.43Å
C2	C1	sing	1.53Å	1.51Å
N	C2	sing	1.46Å	1.46Å
N	C3	sing	1.37Å	1.38Å	Aromatic
C3	C4	doub	1.35Å	1.36Å	Aromatic
C4	N1	sing	1.34Å	1.38Å	Aromatic
N1	C5	doub	1.31Å	1.32Å	Aromatic
C5	N	sing	1.35Å	1.37Å	Aromatic
C6	C5	sing	1.51Å	1.48Å
C4	H8	sing	1.08Å	1.08Å
C6	H11	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
O	H4	sing	0.97Å	0.95Å
C1	H3	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C3	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O	110.2°	109.5°
C	C1	C2	111.0°	109.5°
C1	C	H2	109.5°	109.4°
C1	C	H	109.4°	109.5°
C1	C	H1	109.5°	109.5°
C	C1	H3	108.4°	109.5°
O	C1	C2	109.2°	109.4°
C1	O	H4	109.5°	114.0°
O	C1	H3	109.5°	109.4°
C1	C2	N	111.9°	109.5°
C2	C1	H3	108.4°	109.5°
C1	C2	H6	108.9°	109.5°
C1	C2	H5	108.9°	109.4°
C2	N	C3	125.3°	126.4°
C2	N	C5	127.8°	126.4°
N	C2	H6	108.8°	109.5°
N	C2	H5	108.9°	109.5°
N	C3	C4	106.0°	106.8°
C3	N	C5	107.0°	107.2°
N	C3	H7	127.0°	126.6°
C3	C4	N1	110.5°	108.0°
C3	C4	H8	124.7°	126.0°
C4	C3	H7	127.0°	126.6°
C4	N1	C5	105.3°	109.2°
N1	C4	H8	124.7°	126.0°
N1	C5	N	111.2°	108.7°
N1	C5	C6	125.5°	125.7°
N	C5	C6	123.3°	125.6°
C5	C6	H11	109.5°	109.5°
C5	C6	H10	109.5°	109.5°
C5	C6	H9	109.5°	109.5°
H11	C6	H10	109.5°	109.4°
H11	C6	H9	109.5°	109.4°
H10	C6	H9	109.5°	109.5°
H2	C	H	109.5°	109.5°
H2	C	H1	109.5°	109.4°
H	C	H1	109.5°	109.5°
H6	C2	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O	C2	122.2°	120.0°
C	C1	O	H3	119.2°	120.0°
C	C1	C2	H3	119.0°	120.0°
C	C1	C2	N	179.9°	175.0°
C1	C	H2	H	120.0°	120.0°
C1	C	H2	H1	120.0°	120.0°
C1	C	H	H1	120.0°	120.0°
C	C1	O	H4	180.0°	60.0°
C	C1	C2	H6	59.8°	65.0°
C	C1	C2	H5	59.6°	55.0°
O	C1	C2	H3	119.3°	119.9°
O	C1	C2	N	58.2°	65.0°
O	C1	C	H2	180.0°	60.0°
O	C1	C	H	60.0°	180.0°
O	C1	C	H1	60.0°	60.0°
O	C1	C2	H6	178.5°	55.1°
O	C1	C2	H5	62.1°	175.0°
C1	C2	N	H6	120.3°	120.0°
C1	C2	N	H5	120.4°	120.0°
C1	C2	N	C3	77.2°	95.0°
C1	C2	N	C5	103.0°	85.0°
C2	C1	C	H2	58.9°	60.0°
C2	C1	C	H	178.9°	60.0°
C2	C1	C	H1	61.1°	180.0°
C2	C1	O	H4	57.8°	60.0°
C1	C2	H6	H5	118.9°	119.9°
C2	N	C3	C5	179.8°	180.0°
C2	N	C3	C4	179.6°	180.0°
C2	N	C5	N1	179.5°	180.0°
C2	N	C5	C6	1.4°	0.0°
N	C2	C1	H3	61.1°	55.0°
N	C2	H6	H5	118.9°	120.0°
C2	N	C3	H7	0.4°	0.0°
N	C3	C4	H7	180.0°	180.0°
N	C3	C4	N1	0.0°	0.0°
C3	N	C5	N1	0.3°	0.0°
C3	N	C5	C6	178.8°	180.0°
N	C3	C4	H8	180.0°	180.0°
C3	N	C2	H6	43.1°	25.0°
C3	N	C2	H5	162.4°	145.0°
C3	C4	N1	H8	180.0°	179.9°
C3	C4	N1	C5	0.2°	0.0°
C4	C3	N	C5	0.2°	0.0°
C4	N1	C5	N	0.3°	0.0°
C4	N1	C5	C6	178.8°	180.0°
N1	C4	C3	H7	180.0°	180.0°
N1	C5	N	C6	179.1°	180.0°
C5	N1	C4	H8	179.8°	180.0°
N1	C5	C6	H11	0.0°	90.0°
N1	C5	C6	H10	120.0°	150.0°
N1	C5	C6	H9	120.0°	30.0°
N	C5	C6	H11	179.0°	90.0°
N	C5	C6	H10	61.0°	30.0°
N	C5	C6	H9	59.0°	150.0°
C5	N	C2	H6	136.7°	155.0°
C5	N	C2	H5	17.4°	35.0°
C5	N	C3	H7	179.8°	180.0°
C5	C6	H11	H10	120.0°	120.1°
C5	C6	H11	H9	120.0°	120.0°
C5	C6	H10	H9	120.0°	120.0°
H8	C4	C3	H7	0.1°	0.0°
H11	C6	H10	H9	120.0°	119.9°
H2	C	H	H1	120.0°	120.0°
H2	C	C1	H3	60.1°	179.9°
H	C	C1	H3	59.9°	60.0°
H1	C	C1	H3	179.8°	60.0°
H4	O	C1	H3	60.8°	180.0°
H3	C1	C2	H6	59.3°	175.0°
H3	C1	C2	H5	178.6°	65.0°

223532

PDB entries from 2024-08-07

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