Q44

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C06	N07	doub	1.30Å	1.36Å	Aromatic
C06	N05	sing	1.36Å	1.36Å	Aromatic
N07	C03	sing	1.35Å	1.37Å	Aromatic
N05	C04	sing	1.36Å	1.37Å	Aromatic
C03	C04	doub	1.39Å	1.35Å	Aromatic
C03	C02	sing	1.47Å	1.50Å
C04	N08	sing	1.37Å	1.45Å
O01	C02	doub	1.22Å	1.21Å
C02	N14	sing	1.34Å	1.40Å
N08	C09	sing	1.36Å	1.43Å
N14	C09	doub	1.31Å	1.42Å
C09	N10	sing	1.38Å	1.42Å
N10	C11	sing	1.35Å	1.42Å
O13	C11	doub	1.21Å	1.22Å
C11	C12	sing	1.51Å	1.51Å
C06	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.09Å	1.10Å
C12	H3	sing	1.09Å	1.10Å
C12	H4	sing	1.09Å	1.10Å
N05	H5	sing	0.97Å	1.00Å
N08	H7	sing	0.97Å	1.00Å
N10	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N07	C06	N05	108.1°	109.6°
C06	N07	C03	108.1°	109.1°
N07	C06	H1	126.0°	125.2°
C06	N05	C04	108.0°	107.5°
N05	C06	H1	126.0°	125.2°
C06	N05	H5	126.0°	126.3°
N07	C03	C04	107.7°	107.4°
N07	C03	C02	132.1°	134.5°
N05	C04	C03	108.1°	106.4°
N05	C04	N08	131.9°	134.7°
C04	N05	H5	126.0°	126.2°
C04	C03	C02	120.1°	118.1°
C03	C04	N08	120.0°	118.9°
C03	C02	O01	120.0°	120.7°
C03	C02	N14	119.8°	118.5°
C04	N08	C09	120.1°	120.5°
C04	N08	H7	119.9°	119.7°
O01	C02	N14	120.2°	120.8°
C02	N14	C09	119.6°	121.4°
N08	C09	N14	120.4°	122.6°
N08	C09	N10	119.0°	118.7°
C09	N08	H7	120.0°	119.8°
N14	C09	N10	120.6°	118.7°
C09	N10	C11	120.0°	120.1°
C09	N10	H8	120.0°	120.0°
N10	C11	O13	120.5°	120.0°
N10	C11	C12	119.2°	120.0°
C11	N10	H8	120.0°	119.9°
O13	C11	C12	120.2°	120.0°
C11	C12	H2	109.5°	109.5°
C11	C12	H3	109.4°	109.5°
C11	C12	H4	109.5°	109.5°
H2	C12	H3	109.5°	109.4°
H2	C12	H4	109.5°	109.5°
H3	C12	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N07	C06	N05	H1	180.0°	179.9°
N07	C06	N05	C04	0.2°	0.0°
C06	N07	C03	C04	0.5°	0.0°
C06	N07	C03	C02	179.7°	180.0°
N07	C06	N05	H5	179.8°	179.9°
N05	C06	N07	C03	0.2°	0.0°
C06	N05	C04	H5	180.0°	179.9°
C06	N05	C04	C03	0.5°	0.0°
C06	N05	C04	N08	179.6°	180.0°
N07	C03	C04	N05	0.6°	0.0°
N07	C03	C04	C02	179.3°	180.0°
N07	C03	C04	N08	179.5°	180.0°
N07	C03	C02	O01	0.7°	0.3°
N07	C03	C02	N14	179.2°	180.0°
C03	N07	C06	H1	179.8°	180.0°
N05	C04	C03	N08	180.0°	180.0°
N05	C04	C03	C02	179.9°	180.0°
N05	C04	N08	C09	179.9°	179.9°
C04	N05	C06	H1	179.8°	180.0°
N05	C04	N08	H7	0.0°	0.0°
C04	C03	C02	O01	179.9°	179.7°
C04	C03	C02	N14	0.0°	0.0°
C03	C04	N08	C09	0.1°	0.0°
C03	C04	N05	H5	179.5°	179.9°
C03	C04	N08	H7	179.9°	180.0°
C02	C03	C04	N08	0.1°	0.0°
C03	C02	O01	N14	179.9°	179.7°
C03	C02	N14	C09	0.2°	0.1°
C04	N08	C09	H7	180.0°	179.9°
C04	N08	C09	N14	0.1°	0.1°
C04	N08	C09	N10	179.8°	180.0°
N08	C04	N05	H5	0.4°	0.1°
O01	C02	N14	C09	179.9°	179.6°
C02	N14	C09	N08	0.2°	0.1°
C02	N14	C09	N10	179.7°	179.9°
N08	C09	N14	N10	179.9°	179.9°
N08	C09	N10	C11	179.9°	179.9°
N08	C09	N10	H8	0.0°	0.0°
N14	C09	N10	C11	0.1°	0.0°
N14	C09	N08	H7	179.9°	180.0°
N14	C09	N10	H8	179.9°	179.9°
C09	N10	C11	H8	180.0°	179.9°
C09	N10	C11	O13	0.1°	0.0°
C09	N10	C11	C12	180.0°	180.0°
N10	C09	N08	H7	0.2°	0.0°
N10	C11	O13	C12	179.9°	180.0°
N10	C11	C12	H2	179.9°	90.0°
N10	C11	C12	H3	60.1°	150.0°
N10	C11	C12	H4	59.9°	30.0°
O13	C11	C12	H2	0.0°	90.0°
O13	C11	C12	H3	120.0°	30.0°
O13	C11	C12	H4	120.0°	150.0°
O13	C11	N10	H8	179.9°	179.9°
C11	C12	H2	H3	120.0°	120.0°
C11	C12	H2	H4	120.0°	120.0°
C11	C12	H3	H4	120.0°	120.0°
C12	C11	N10	H8	0.1°	0.1°
H1	C06	N05	H5	0.2°	0.1°
H2	C12	H3	H4	120.0°	120.0°

Release date:	2020-07-22
Definition date:	2019-09-19
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	6UC7