ZQA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.53Å	1.52Å
C04	C03	doub	1.34Å	1.41Å	Aromatic
C04	S05	sing	1.76Å	1.60Å	Aromatic
C02	C03	sing	1.51Å	1.52Å
C03	N07	sing	1.31Å	1.48Å	Aromatic
S05	C06	sing	1.76Å	1.63Å	Aromatic
N07	C06	doub	1.30Å	1.40Å	Aromatic
C06	C08	sing	1.47Å	1.53Å
C08	C09	doub	1.36Å	1.37Å	Aromatic
C08	N12	sing	1.38Å	1.33Å	Aromatic
C09	N10	sing	1.34Å	1.31Å	Aromatic
N12	C11	sing	1.35Å	1.35Å	Aromatic
N10	C11	doub	1.31Å	1.34Å	Aromatic
N12	H1	sing	0.97Å	1.00Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C02	H6	sing	1.09Å	1.10Å
C04	H7	sing	1.08Å	1.08Å
C09	H8	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	110.6°	109.5°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.4°	109.5°
C02	C01	H4	109.5°	109.5°
C01	C02	H5	109.2°	109.5°
C01	C02	H6	109.2°	109.5°
C03	C04	S05	109.6°	108.2°
C04	C03	C02	123.6°	122.0°
C04	C03	N07	110.6°	115.9°
C03	C04	H7	125.2°	125.9°
C04	S05	C06	99.8°	89.9°
S05	C04	H7	125.2°	125.9°
C02	C03	N07	125.8°	122.1°
C03	C02	H5	109.2°	109.5°
C03	C02	H6	109.2°	109.4°
C03	N07	C06	110.7°	116.9°
S05	C06	N07	109.4°	109.0°
S05	C06	C08	124.4°	125.5°
N07	C06	C08	126.2°	125.5°
C06	C08	C09	126.1°	126.8°
C06	C08	N12	126.4°	126.8°
C09	C08	N12	107.4°	106.4°
C08	C09	N10	108.3°	107.9°
C08	C09	H8	125.9°	126.0°
C08	N12	C11	107.8°	107.0°
C08	N12	H1	126.1°	126.5°
C09	N10	C11	108.3°	109.6°
N10	C09	H8	125.8°	126.1°
N12	C11	N10	108.3°	109.1°
C11	N12	H1	126.1°	126.5°
N12	C11	H10	125.9°	125.4°
N10	C11	H10	125.9°	125.5°
H2	C01	H3	109.5°	109.5°
H2	C01	H4	109.4°	109.4°
H3	C01	H4	109.5°	109.5°
H5	C02	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C04	58.1°	125.3°
C01	C02	C03	H5	120.2°	120.1°
C01	C02	C03	H6	120.1°	119.9°
C01	C02	C03	N07	121.6°	55.0°
C02	C01	H2	H3	120.0°	120.0°
C02	C01	H2	H4	120.0°	120.0°
C02	C01	H3	H4	120.0°	120.0°
C01	C02	H5	H6	119.5°	120.0°
C03	C04	S05	H7	180.0°	179.9°
C04	C03	C02	N07	179.7°	179.7°
C03	C04	S05	C06	0.1°	0.0°
C04	C03	N07	C06	0.4°	0.5°
C04	C03	C02	H5	178.2°	5.2°
C04	C03	C02	H6	62.1°	114.7°
S05	C04	C03	C02	179.9°	180.0°
S05	C04	C03	N07	0.2°	0.3°
C04	S05	C06	N07	0.4°	0.2°
C04	S05	C06	C08	178.1°	180.0°
C02	C03	N07	C06	179.8°	179.8°
C03	C02	C01	H2	180.0°	60.1°
C03	C02	C01	H3	60.0°	60.0°
C03	C02	C01	H4	60.0°	180.0°
C03	C02	H5	H6	119.5°	119.9°
C02	C03	C04	H7	0.1°	0.1°
C03	N07	C06	S05	0.5°	0.4°
C03	N07	C06	C08	178.2°	179.8°
N07	C03	C02	H5	1.5°	175.0°
N07	C03	C02	H6	118.2°	65.0°
N07	C03	C04	H7	179.8°	179.8°
S05	C06	N07	C08	177.7°	179.7°
S05	C06	C08	C09	27.3°	179.9°
S05	C06	C08	N12	149.7°	0.1°
C06	S05	C04	H7	179.9°	179.9°
N07	C06	C08	C09	155.3°	0.4°
N07	C06	C08	N12	27.7°	179.8°
C06	C08	C09	N12	177.4°	179.9°
C06	C08	C09	N10	178.2°	179.9°
C06	C08	N12	C11	178.4°	179.9°
C06	C08	N12	H1	1.6°	0.2°
C06	C08	C09	H8	1.9°	0.1°
C08	C09	N10	H8	180.0°	180.0°
C09	C08	N12	C11	1.0°	0.0°
C08	C09	N10	C11	0.2°	0.1°
C09	C08	N12	H1	179.0°	179.7°
N12	C08	C09	N10	0.7°	0.0°
C08	N12	C11	H1	180.0°	179.7°
C08	N12	C11	N10	0.9°	0.0°
N12	C08	C09	H8	179.3°	180.0°
C08	N12	C11	H10	179.1°	179.7°
C09	N10	C11	N12	0.4°	0.0°
C09	N10	C11	H10	179.6°	179.7°
N12	C11	N10	H10	180.0°	179.8°
N10	C11	N12	H1	179.1°	179.8°
C11	N10	C09	H8	179.8°	180.0°
H1	N12	C11	H10	0.9°	0.0°
H2	C01	H3	H4	120.0°	120.0°
H2	C01	C02	H5	59.9°	60.0°
H2	C01	C02	H6	59.8°	180.0°
H3	C01	C02	H5	60.1°	180.0°
H3	C01	C02	H6	179.8°	60.0°
H4	C01	C02	H5	179.8°	60.0°
H4	C01	C02	H6	60.1°	60.1°

Release date:	2021-06-09
Definition date:	2021-05-19
Last modified:	2021-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	5SA5