Q9S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N27	C26	sing	1.39Å	1.45Å
S37	C26	sing	1.76Å	1.72Å	Aromatic
S37	C23	sing	1.76Å	1.72Å	Aromatic
C26	N25	doub	1.30Å	1.32Å	Aromatic
N25	N24	sing	1.38Å	1.37Å	Aromatic
C02	N03	sing	1.47Å	1.54Å
C02	C01	sing	1.53Å	1.53Å
C23	N03	sing	1.39Å	1.44Å
C23	N24	doub	1.30Å	1.32Å	Aromatic
N03	C04	sing	1.47Å	1.53Å
C01	C06	sing	1.53Å	1.46Å
O07	C06	sing	1.43Å	1.48Å
O07	C08	sing	1.36Å	1.40Å
S22	C08	sing	1.76Å	1.71Å	Aromatic
S22	C11	sing	1.76Å	1.72Å	Aromatic
C06	C05	sing	1.53Å	1.45Å
C04	C05	sing	1.53Å	1.51Å
C08	N09	doub	1.29Å	1.32Å	Aromatic
N09	N10	sing	1.38Å	1.37Å	Aromatic
C11	N12	sing	1.39Å	1.46Å
C11	N10	doub	1.30Å	1.33Å	Aromatic
N12	H1	sing	0.97Å	1.00Å
N12	H2	sing	0.97Å	1.00Å
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	1.09Å	1.10Å
C04	H8	sing	1.09Å	1.10Å
C05	H9	sing	1.09Å	1.10Å
C05	H10	sing	1.09Å	1.10Å
C06	H11	sing	1.09Å	1.10Å
N27	H12	sing	0.97Å	1.00Å
N27	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N27	C26	S37	128.5°	125.5°
N27	C26	N25	126.2°	125.4°
C26	N27	H12	109.5°	120.0°
C26	N27	H13	109.5°	120.0°
C26	S37	C23	96.2°	90.4°
S37	C26	N25	105.3°	109.2°
S37	C23	N03	128.9°	125.4°
S37	C23	N24	105.1°	109.2°
C26	N25	N24	116.2°	115.6°
N25	N24	C23	117.2°	115.6°
N03	C02	C01	118.3°	109.5°
C02	N03	C23	123.5°	111.0°
C02	N03	C04	114.2°	111.2°
N03	C02	H5	107.2°	109.5°
N03	C02	H6	107.2°	109.5°
C02	C01	C06	114.7°	109.3°
C02	C01	H3	108.2°	109.5°
C02	C01	H4	108.2°	109.5°
C01	C02	H5	107.2°	109.5°
C01	C02	H6	107.2°	109.4°
N03	C23	N24	126.0°	125.4°
C23	N03	C04	122.3°	111.0°
N03	C04	C05	111.6°	109.5°
N03	C04	H7	108.9°	109.5°
N03	C04	H8	109.0°	109.4°
C01	C06	O07	109.1°	109.5°
C01	C06	C05	106.7°	109.2°
C06	C01	H3	108.1°	109.5°
C06	C01	H4	108.2°	109.5°
C01	C06	H11	111.4°	109.5°
C06	O07	C08	107.9°	117.0°
O07	C06	C05	106.8°	109.5°
O07	C06	H11	111.1°	109.6°
O07	C08	S22	128.2°	125.4°
O07	C08	N09	127.5°	125.4°
C08	S22	C11	97.6°	90.4°
S22	C08	N09	104.3°	109.2°
S22	C11	N12	128.2°	125.5°
S22	C11	N10	103.9°	109.1°
C06	C05	C04	107.4°	109.3°
C06	C05	H9	110.0°	109.5°
C06	C05	H10	110.0°	109.5°
C05	C06	H11	111.5°	109.5°
C05	C04	H7	108.9°	109.5°
C05	C04	H8	108.9°	109.5°
C04	C05	H9	110.0°	109.5°
C04	C05	H10	110.0°	109.5°
C08	N09	N10	117.2°	115.7°
N09	N10	C11	117.0°	115.6°
N12	C11	N10	127.8°	125.4°
C11	N12	H1	109.5°	120.1°
C11	N12	H2	109.5°	120.0°
H1	N12	H2	109.4°	120.0°
H3	C01	H4	109.4°	109.5°
H5	C02	H6	109.5°	109.5°
H7	C04	H8	109.5°	109.5°
H9	C05	H10	109.5°	109.5°
H12	N27	H13	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N27	C26	S37	N25	180.0°	179.7°
N27	C26	S37	C23	179.7°	179.7°
N27	C26	N25	N24	179.7°	180.0°
C26	N27	H12	H13	120.0°	180.0°
S37	C26	N25	N24	0.3°	0.2°
C26	S37	C23	N03	179.1°	179.8°
C26	S37	C23	N24	0.3°	0.3°
S37	C26	N27	H12	0.0°	179.7°
S37	C26	N27	H13	120.0°	0.3°
C23	S37	C26	N25	0.4°	0.0°
S37	C23	N24	N25	0.2°	0.5°
S37	C23	N03	C02	30.8°	179.4°
S37	C23	N03	N24	178.5°	179.4°
S37	C23	N03	C04	147.2°	56.4°
C26	N25	N24	C23	0.1°	0.5°
N25	C26	N27	H12	180.0°	0.0°
N25	C26	N27	H13	60.0°	180.0°
N25	N24	C23	N03	179.0°	179.9°
N03	C02	C01	H5	121.3°	120.0°
N03	C02	C01	H6	121.3°	120.0°
C02	N03	C23	C04	178.0°	124.2°
C02	N03	C23	N24	150.7°	0.0°
N03	C02	C01	C06	23.9°	59.2°
C02	N03	C04	C05	30.8°	61.8°
N03	C02	C01	H3	96.9°	179.1°
N03	C02	C01	H4	144.7°	60.8°
N03	C02	H5	H6	116.0°	120.0°
C02	N03	C04	H7	89.5°	58.3°
C02	N03	C04	H8	151.1°	178.2°
C01	C02	N03	C23	170.1°	174.2°
C01	C02	N03	C04	11.7°	61.8°
C02	C01	C06	H3	120.8°	119.9°
C02	C01	C06	H4	120.8°	120.0°
C02	C01	C06	O07	60.0°	177.6°
C02	C01	C06	C05	55.1°	57.7°
C02	C01	H3	H4	117.6°	120.1°
C01	C02	H5	H6	116.0°	120.0°
C02	C01	C06	H11	176.9°	62.2°
C23	N03	C04	C05	151.0°	174.1°
C23	N03	C02	H5	48.9°	54.2°
C23	N03	C02	H6	68.6°	65.8°
C23	N03	C04	H7	88.7°	65.8°
C23	N03	C04	H8	30.7°	54.1°
N24	C23	N03	C04	31.3°	124.2°
N03	C04	C05	C06	63.9°	59.2°
N03	C04	C05	H7	120.3°	120.0°
N03	C04	C05	H8	120.3°	119.9°
C04	N03	C02	H5	133.0°	178.2°
C04	N03	C02	H6	109.6°	58.2°
N03	C04	H7	H8	119.0°	119.9°
N03	C04	C05	H9	55.8°	60.7°
N03	C04	C05	H10	176.5°	179.2°
C01	C06	O07	C05	115.0°	119.7°
C01	C06	O07	H11	123.2°	120.2°
C01	C06	O07	C08	164.3°	150.0°
C01	C06	C05	H11	121.8°	119.9°
C01	C06	C05	C04	75.8°	57.7°
C06	C01	H3	H4	117.6°	120.1°
C06	C01	C02	H5	145.2°	179.2°
C06	C01	C02	H6	97.4°	60.8°
C01	C06	C05	H9	43.8°	62.3°
C01	C06	C05	H10	164.5°	177.6°
C06	O07	C08	S22	129.0°	179.7°
O07	C06	C05	H11	121.6°	120.2°
O07	C06	C05	C04	40.8°	177.6°
C06	O07	C08	N09	50.4°	0.1°
O07	C06	C01	H3	179.2°	62.5°
O07	C06	C01	H4	60.8°	57.6°
O07	C06	C05	H9	160.5°	57.7°
O07	C06	C05	H10	78.9°	62.5°
O07	C08	S22	N09	179.6°	179.7°
O07	C08	S22	C11	179.8°	180.0°
C08	O07	C06	C05	80.7°	90.3°
O07	C08	N09	N10	179.8°	179.9°
C08	O07	C06	H11	41.1°	29.8°
S22	C08	N09	N10	0.6°	0.2°
C08	S22	C11	N12	179.8°	179.9°
C08	S22	C11	N10	0.5°	0.3°
C11	S22	C08	N09	0.6°	0.3°
S22	C11	N10	N09	0.2°	0.2°
S22	C11	N12	N10	179.6°	179.7°
S22	C11	N12	H1	0.0°	179.8°
S22	C11	N12	H2	120.0°	0.5°
C06	C05	C04	H9	119.7°	119.9°
C06	C05	C04	H10	119.7°	119.9°
C05	C06	C01	H3	65.7°	177.6°
C05	C06	C01	H4	175.8°	62.3°
C06	C05	C04	H7	56.5°	60.8°
C06	C05	C04	H8	175.8°	179.2°
C06	C05	H9	H10	121.0°	120.2°
C05	C04	H7	H8	119.0°	120.1°
C04	C05	H9	H10	121.0°	120.1°
C04	C05	C06	H11	162.4°	62.2°
C08	N09	N10	C11	0.3°	0.0°
N09	N10	C11	N12	179.9°	180.0°
C11	N12	H1	H2	120.0°	179.7°
N10	C11	N12	H1	179.7°	0.1°
N10	C11	N12	H2	60.4°	179.7°
H3	C01	C02	H5	24.4°	60.8°
H3	C01	C02	H6	141.9°	59.1°
H3	C01	C06	H11	56.1°	57.7°
H4	C01	C02	H5	94.1°	59.2°
H4	C01	C02	H6	23.4°	179.2°
H4	C01	C06	H11	62.3°	177.8°
H7	C04	C05	H9	176.1°	179.2°
H7	C04	C05	H10	63.2°	59.1°
H8	C04	C05	H9	64.5°	59.2°
H8	C04	C05	H10	56.2°	60.9°
H9	C05	C06	H11	78.0°	177.8°
H10	C05	C06	H11	42.7°	57.7°

Release date:	2020-10-07
Definition date:	2019-10-08
Last modified:	2020-10-02
Release status:	REL
Processing site:	RCSB
Derived from:	6UK6