QJ1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C11	sing	1.38Å	1.52Å	Aromatic
C12	C13	doub	1.33Å	1.43Å	Aromatic
C11	C10	doub	1.33Å	1.43Å	Aromatic
C13	S14	sing	1.76Å	1.62Å	Aromatic
C10	S14	sing	1.76Å	1.64Å	Aromatic
C10	C09	sing	1.51Å	1.54Å
S08	C09	sing	1.83Å	1.84Å
S08	C07	sing	1.75Å	1.81Å
C09	C15	sing	1.50Å	1.55Å
C07	C06	sing	1.54Å	1.53Å
C15	C16	sing	1.55Å	1.53Å
C06	N05	sing	1.43Å	1.45Å
N05	C16	sing	1.47Å	1.46Å
N05	C02	sing	1.35Å	1.44Å
O01	C02	doub	1.22Å	1.20Å
C02	O03	sing	1.35Å	1.39Å
O03	C04	sing	1.45Å	1.39Å
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.09Å	1.10Å
C12	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C04	H6	sing	1.09Å	1.10Å
C04	H7	sing	1.09Å	1.10Å
C04	H8	sing	1.09Å	1.10Å
C06	H9	sing	1.09Å	1.10Å
C06	H10	sing	1.09Å	1.10Å
C07	H11	sing	1.09Å	1.10Å
C07	H12	sing	1.09Å	1.10Å
C09	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.09Å	1.10Å
C16	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C12	C13	109.8°	114.9°
C12	C11	C10	109.0°	114.9°
C11	C12	H4	125.1°	122.5°
C12	C11	H5	125.5°	122.6°
C12	C13	S14	111.3°	109.6°
C12	C13	H1	124.3°	125.2°
C13	C12	H4	125.1°	122.5°
C11	C10	S14	111.4°	109.6°
C11	C10	C09	123.2°	125.2°
C10	C11	H5	125.5°	122.5°
C13	S14	C10	98.5°	91.0°
S14	C13	H1	124.3°	125.2°
S14	C10	C09	125.4°	125.2°
C10	C09	S08	110.3°	109.3°
C10	C09	C15	108.5°	109.3°
C10	C09	H13	108.2°	109.3°
C09	S08	C07	106.6°	104.4°
S08	C09	C15	116.3°	110.3°
S08	C09	H13	105.2°	109.2°
S08	C07	C06	112.8°	112.6°
S08	C07	H11	108.6°	108.9°
S08	C07	H12	108.6°	108.8°
C09	C15	C16	113.9°	113.4°
C09	C15	H2	108.4°	108.7°
C09	C15	H3	108.4°	108.6°
C15	C09	H13	108.1°	109.3°
C07	C06	N05	112.7°	108.1°
C07	C06	H9	108.7°	109.7°
C07	C06	H10	108.7°	109.8°
C06	C07	H11	108.6°	108.9°
C06	C07	H12	108.6°	108.8°
C15	C16	N05	113.8°	116.0°
C16	C15	H2	108.4°	108.7°
C16	C15	H3	108.4°	108.7°
C15	C16	H14	108.4°	108.1°
C15	C16	H15	108.4°	108.2°
C06	N05	C16	128.1°	122.0°
C06	N05	C02	116.3°	119.0°
N05	C06	H9	108.7°	109.8°
N05	C06	H10	108.7°	109.7°
C16	N05	C02	115.1°	119.0°
N05	C16	H14	108.4°	108.2°
N05	C16	H15	108.4°	108.1°
N05	C02	O01	121.3°	120.0°
N05	C02	O03	115.8°	120.0°
O01	C02	O03	122.9°	120.0°
C02	O03	C04	116.2°	117.0°
O03	C04	H6	109.5°	109.4°
O03	C04	H7	109.5°	109.4°
O03	C04	H8	109.5°	109.5°
H2	C15	H3	109.4°	108.6°
H6	C04	H7	109.5°	109.5°
H6	C04	H8	109.5°	109.6°
H7	C04	H8	109.5°	109.5°
H9	C06	H10	109.4°	109.7°
H11	C07	H12	109.5°	108.8°
H14	C16	H15	109.4°	108.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C12	C13	H4	180.0°	179.6°
C12	C11	C10	H5	180.0°	180.0°
C11	C12	C13	S14	0.2°	0.5°
C12	C11	C10	S14	0.1°	0.0°
C12	C11	C10	C09	179.5°	179.7°
C11	C12	C13	H1	179.8°	179.9°
C13	C12	C11	C10	0.1°	0.3°
C12	C13	S14	H1	180.0°	179.5°
C12	C13	S14	C10	0.2°	0.4°
C13	C12	C11	H5	180.0°	179.6°
C11	C10	S14	C13	0.2°	0.3°
C11	C10	S14	C09	179.6°	179.6°
C11	C10	C09	S08	25.0°	118.8°
C11	C10	C09	C15	153.4°	120.3°
C10	C11	C12	H4	180.0°	180.0°
C11	C10	C09	H13	89.6°	0.7°
C13	S14	C10	C09	179.4°	179.9°
S14	C13	C12	H4	179.8°	179.8°
S14	C10	C09	S08	154.6°	60.8°
S14	C10	C09	C15	26.2°	60.1°
C10	S14	C13	H1	179.8°	180.0°
S14	C10	C11	H5	179.8°	180.0°
S14	C10	C09	H13	90.8°	179.7°
C10	C09	S08	C15	124.0°	120.2°
C10	C09	S08	H13	116.5°	119.6°
C10	C09	S08	C07	164.8°	165.4°
C10	C09	C15	H13	117.1°	119.6°
C10	C09	C15	C16	179.2°	150.5°
C10	C09	C15	H2	58.5°	88.4°
C10	C09	C15	H3	60.1°	29.6°
C09	C10	C11	H5	0.5°	0.3°
S08	C09	C15	H13	118.0°	120.1°
C09	S08	C07	C06	80.0°	61.0°
S08	C09	C15	C16	54.3°	89.2°
S08	C09	C15	H2	66.4°	31.8°
S08	C09	C15	H3	174.9°	149.8°
C09	S08	C07	H11	40.5°	178.1°
C09	S08	C07	H12	159.5°	59.7°
C07	S08	C09	C15	71.2°	74.4°
S08	C07	C06	H11	120.5°	120.8°
S08	C07	C06	H12	120.5°	120.7°
S08	C07	C06	N05	35.0°	80.7°
S08	C07	C06	H9	155.5°	159.6°
S08	C07	C06	H10	85.5°	38.9°
S08	C07	H11	H12	118.5°	118.4°
C07	S08	C09	H13	48.3°	45.8°
C09	C15	C16	H2	120.7°	121.0°
C09	C15	C16	H3	120.7°	120.9°
C09	C15	C16	N05	63.6°	44.0°
C09	C15	H2	H3	118.0°	118.0°
C09	C15	C16	H14	175.7°	165.6°
C09	C15	C16	H15	57.1°	77.5°
C07	C06	N05	H9	120.5°	119.7°
C07	C06	N05	H10	120.5°	119.7°
C07	C06	N05	C16	53.2°	95.7°
C07	C06	N05	C02	117.9°	84.3°
C07	C06	H9	H10	118.5°	120.7°
C06	C07	H11	H12	118.5°	118.5°
C15	C16	N05	C06	98.7°	42.9°
C15	C16	N05	H14	120.7°	121.6°
C15	C16	N05	H15	120.6°	121.6°
C15	C16	N05	C02	72.6°	137.1°
C16	C15	H2	H3	118.0°	118.1°
C16	C15	C09	H13	63.7°	30.9°
C15	C16	H14	H15	118.0°	116.9°
C06	N05	C16	C02	171.2°	180.0°
C06	N05	C02	O01	1.1°	180.0°
C06	N05	C02	O03	178.8°	0.0°
N05	C06	H9	H10	118.5°	120.6°
N05	C06	C07	H11	85.5°	158.5°
N05	C06	C07	H12	155.5°	39.9°
C06	N05	C16	H14	140.7°	78.7°
C06	N05	C16	H15	22.0°	164.5°
C16	N05	C02	O01	173.4°	0.0°
C16	N05	C02	O03	6.5°	180.0°
N05	C16	C15	H2	57.1°	77.0°
N05	C16	C15	H3	175.7°	164.9°
C16	N05	C06	H9	67.3°	144.6°
C16	N05	C06	H10	173.7°	24.0°
N05	C16	H14	H15	118.1°	116.8°
N05	C02	O01	O03	179.9°	180.0°
N05	C02	O03	C04	177.7°	180.0°
C02	N05	C06	H9	121.6°	35.4°
C02	N05	C06	H10	2.6°	156.0°
C02	N05	C16	H14	48.1°	101.3°
C02	N05	C16	H15	166.8°	15.5°
O01	C02	O03	C04	2.4°	0.1°
C02	O03	C04	H6	180.0°	59.9°
C02	O03	C04	H7	60.0°	60.0°
C02	O03	C04	H8	60.0°	180.0°
O03	C04	H6	H7	120.0°	119.9°
O03	C04	H6	H8	120.0°	120.0°
O03	C04	H7	H8	120.0°	119.9°
H1	C13	C12	H4	0.2°	0.3°
H2	C15	C09	H13	175.7°	152.0°
H2	C15	C16	H14	63.6°	44.6°
H2	C15	C16	H15	177.7°	161.5°
H3	C15	C09	H13	57.0°	90.0°
H3	C15	C16	H14	55.1°	73.5°
H3	C15	C16	H15	63.6°	43.4°
H4	C12	C11	H5	0.0°	0.0°
H6	C04	H7	H8	120.0°	120.1°
H9	C06	C07	H11	35.0°	38.7°
H9	C06	C07	H12	84.0°	79.8°
H10	C06	C07	H11	154.0°	81.9°
H10	C06	C07	H12	35.0°	159.6°

Release date:	2020-01-01
Definition date:	2019-11-04
Last modified:	2019-12-27
Release status:	REL
Processing site:	RCSB
Derived from:	6UVJ