GRV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C5	sing	1.40Å	1.40Å	Aromatic
C6	C7	doub	1.36Å	1.37Å	Aromatic
C5	C4	doub	1.35Å	1.35Å	Aromatic
C7	C8	sing	1.41Å	1.40Å	Aromatic
C4	N1	sing	1.36Å	1.38Å	Aromatic
C8	N1	sing	1.37Å	1.38Å	Aromatic
C8	N2	doub	1.33Å	1.36Å	Aromatic
N1	C3	sing	1.38Å	1.40Å	Aromatic
N2	C2	sing	1.32Å	1.37Å	Aromatic
C3	C2	doub	1.39Å	1.39Å	Aromatic
C3	C9	sing	1.42Å	1.49Å
C2	C1	sing	1.51Å	1.49Å
O1	C9	doub	1.22Å	1.23Å
C9	N3	sing	1.35Å	1.34Å
N3	C10	sing	1.46Å	1.46Å
C10	C11	sing	1.53Å	1.52Å
C11	C13	sing	1.53Å	1.51Å
C11	C12	sing	1.53Å	1.52Å
N3	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C6	C7	120.4°	119.6°
C6	C5	C4	120.5°	120.2°
C6	C5	H3	119.8°	119.9°
C5	C6	H4	119.8°	120.2°
C6	C7	C8	118.0°	119.4°
C7	C6	H4	119.8°	120.2°
C6	C7	H5	121.0°	120.3°
C5	C4	N1	119.8°	120.6°
C5	C4	H2	120.1°	119.7°
C4	C5	H3	119.7°	119.9°
C7	C8	N1	120.7°	119.6°
C7	C8	N2	131.0°	131.8°
C8	C7	H5	121.0°	120.3°
C4	N1	C8	119.4°	120.6°
C4	N1	C3	132.8°	132.4°
N1	C4	H2	120.1°	119.6°
N1	C8	N2	108.3°	108.6°
C8	N1	C3	107.7°	106.9°
C8	N2	C2	108.5°	109.8°
N1	C3	C2	106.9°	106.5°
N1	C3	C9	122.6°	126.8°
N2	C2	C3	108.4°	108.2°
N2	C2	C1	122.0°	125.9°
C2	C3	C9	130.4°	126.7°
C3	C2	C1	129.6°	125.9°
C3	C9	O1	118.9°	120.0°
C3	C9	N3	119.1°	120.0°
C2	C1	H11	109.5°	109.5°
C2	C1	H12	109.4°	109.5°
C2	C1	H13	109.5°	109.5°
O1	C9	N3	122.0°	120.0°
C9	N3	C10	124.0°	120.0°
C9	N3	H1	118.0°	120.0°
N3	C10	C11	114.1°	109.5°
C10	N3	H1	118.0°	120.0°
N3	C10	H6	108.3°	109.5°
N3	C10	H7	108.3°	109.5°
C10	C11	C13	111.3°	109.5°
C10	C11	C12	111.9°	109.5°
C11	C10	H6	108.3°	109.5°
C11	C10	H7	108.3°	109.4°
C10	C11	H14	107.3°	109.5°
C13	C11	C12	111.2°	109.4°
C11	C13	H8	109.5°	109.5°
C11	C13	H9	109.5°	109.5°
C11	C13	H10	109.5°	109.5°
C13	C11	H14	107.5°	109.5°
C12	C11	H14	107.3°	109.5°
C11	C12	H15	109.5°	109.4°
C11	C12	H16	109.5°	109.5°
C11	C12	H17	109.5°	109.5°
H6	C10	H7	109.5°	109.5°
H8	C13	H9	109.5°	109.5°
H8	C13	H10	109.5°	109.4°
H9	C13	H10	109.5°	109.4°
H11	C1	H12	109.5°	109.5°
H11	C1	H13	109.5°	109.5°
H12	C1	H13	109.5°	109.4°
H15	C12	H16	109.5°	109.4°
H15	C12	H17	109.5°	109.5°
H16	C12	H17	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C6	C7	H4	180.0°	180.0°
C6	C5	C4	H3	180.0°	179.9°
C5	C6	C7	C8	11.1°	0.3°
C6	C5	C4	N1	5.4°	0.0°
C6	C5	C4	H2	174.6°	179.9°
C5	C6	C7	H5	168.8°	179.9°
C7	C6	C5	C4	4.2°	0.0°
C6	C7	C8	H5	180.0°	179.8°
C6	C7	C8	N1	8.9°	0.6°
C6	C7	C8	N2	171.8°	180.0°
C7	C6	C5	H3	175.8°	180.0°
C5	C4	N1	H2	180.0°	179.9°
C5	C4	N1	C8	7.6°	0.3°
C5	C4	N1	C3	170.7°	180.0°
C4	C5	C6	H4	175.8°	180.0°
C7	C8	N1	C4	0.3°	0.5°
C7	C8	N1	N2	179.4°	179.5°
C7	C8	N1	C3	178.3°	179.7°
C7	C8	N2	C2	177.2°	179.4°
C8	C7	C6	H4	168.9°	179.7°
C4	N1	C8	C3	178.6°	179.8°
C4	N1	C8	N2	179.0°	179.9°
C4	N1	C3	C2	178.6°	180.0°
C4	N1	C3	C9	0.0°	0.1°
N1	C4	C5	H3	174.6°	179.9°
N1	C8	N2	C2	3.5°	0.1°
C8	N1	C3	C2	0.3°	0.3°
C8	N1	C3	C9	178.4°	179.8°
C8	N1	C4	H2	172.4°	179.6°
N1	C8	C7	H5	171.0°	179.7°
N2	C8	N1	C3	2.3°	0.1°
C8	N2	C2	C3	3.3°	0.3°
C8	N2	C2	C1	176.0°	179.9°
N2	C8	C7	H5	8.2°	0.3°
N1	C3	C2	N2	1.8°	0.4°
N1	C3	C2	C9	178.5°	179.9°
N1	C3	C2	C1	177.5°	180.0°
N1	C3	C9	O1	23.0°	99.4°
N1	C3	C9	N3	157.5°	80.5°
C3	N1	C4	H2	9.4°	0.1°
N2	C2	C3	C1	179.3°	179.6°
N2	C2	C3	C9	179.6°	179.7°
N2	C2	C1	H11	0.0°	89.6°
N2	C2	C1	H12	120.0°	30.4°
N2	C2	C1	H13	120.0°	150.4°
C2	C3	C9	O1	155.3°	80.7°
C2	C3	C9	N3	24.2°	99.3°
C3	C2	C1	H11	179.3°	89.9°
C3	C2	C1	H12	60.8°	150.0°
C3	C2	C1	H13	59.2°	30.1°
C9	C3	C2	C1	1.0°	0.1°
C3	C9	O1	N3	179.5°	180.0°
C3	C9	N3	C10	170.6°	174.8°
C3	C9	N3	H1	9.4°	5.2°
C2	C1	H11	H12	120.0°	120.1°
C2	C1	H11	H13	120.0°	120.0°
C2	C1	H12	H13	120.0°	120.0°
O1	C9	N3	C10	8.9°	5.1°
O1	C9	N3	H1	171.1°	174.8°
C9	N3	C10	H1	180.0°	180.0°
C9	N3	C10	C11	107.3°	180.0°
C9	N3	C10	H6	132.1°	60.0°
C9	N3	C10	H7	13.4°	60.0°
N3	C10	C11	H6	120.6°	120.0°
N3	C10	C11	H7	120.7°	120.0°
N3	C10	C11	C13	62.4°	65.0°
N3	C10	C11	C12	62.8°	175.0°
N3	C10	H6	H7	117.9°	120.0°
N3	C10	C11	H14	179.7°	55.0°
C10	C11	C13	C12	125.6°	120.0°
C10	C11	C13	H14	117.2°	120.0°
C10	C11	C12	H14	117.5°	120.1°
C11	C10	N3	H1	72.8°	0.0°
C11	C10	H6	H7	117.9°	120.0°
C10	C11	C13	H8	180.0°	60.0°
C10	C11	C13	H9	60.0°	60.0°
C10	C11	C13	H10	60.0°	180.0°
C10	C11	C12	H15	180.0°	60.0°
C10	C11	C12	H16	60.0°	180.0°
C10	C11	C12	H17	60.0°	59.9°
C13	C11	C12	H14	117.3°	120.0°
C13	C11	C10	H6	177.0°	55.0°
C13	C11	C10	H7	58.3°	175.0°
C11	C13	H8	H9	120.0°	120.1°
C11	C13	H8	H10	120.0°	120.0°
C11	C13	H9	H10	120.0°	120.1°
C13	C11	C12	H15	54.8°	180.0°
C13	C11	C12	H16	65.2°	60.0°
C13	C11	C12	H17	174.8°	60.0°
C12	C11	C10	H6	57.8°	65.0°
C12	C11	C10	H7	176.5°	55.0°
C12	C11	C13	H8	54.4°	180.0°
C12	C11	C13	H9	174.5°	60.0°
C12	C11	C13	H10	65.6°	60.0°
C11	C12	H15	H16	120.0°	120.0°
C11	C12	H15	H17	120.0°	120.0°
C11	C12	H16	H17	120.0°	120.1°
H1	N3	C10	H6	47.9°	120.0°
H1	N3	C10	H7	166.6°	119.9°
H2	C4	C5	H3	5.4°	0.0°
H3	C5	C6	H4	4.2°	0.1°
H4	C6	C7	H5	11.2°	0.0°
H6	C10	C11	H14	59.6°	175.0°
H7	C10	C11	H14	59.0°	65.0°
H8	C13	H9	H10	120.0°	119.9°
H8	C13	C11	H14	62.8°	60.0°
H9	C13	C11	H14	57.3°	180.0°
H10	C13	C11	H14	177.2°	59.9°
H11	C1	H12	H13	120.0°	120.0°
H14	C11	C12	H15	62.5°	60.0°
H14	C11	C12	H16	177.5°	59.9°
H14	C11	C12	H17	57.5°	180.0°
H15	C12	H16	H17	120.0°	120.0°

Release date:	2019-04-10
Definition date:	2018-06-01
Last modified:	2019-04-05
Release status:	REL
Processing site:	RCSB
Derived from:	5QHW