A1AWE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C07	C08	sing	1.53Å	1.53Å
C07	O06	sing	1.45Å	1.41Å
C08	S09	sing	1.81Å	1.82Å
O06	C05	sing	1.34Å	1.40Å
C05	O24	doub	1.21Å	1.17Å
S09	C10	sing	1.81Å	1.83Å
C10	C12	sing	1.51Å	1.53Å
C10	C11	sing	1.53Å	1.53Å
O16	N14	sing	1.22Å	1.18Å
C12	C23	doub	1.38Å	1.41Å	Aromatic
C12	C13	sing	1.38Å	1.30Å	Aromatic
C23	C22	sing	1.39Å	1.68Å	Aromatic
N14	C13	sing	1.48Å	1.45Å
N14	O15	doub	1.22Å	1.41Å
C13	C17	doub	1.38Å	1.23Å	Aromatic
C22	O21	sing	1.37Å	1.65Å
C22	C18	doub	1.39Å	1.56Å	Aromatic
C17	C18	sing	1.39Å	1.44Å	Aromatic
O21	C20	sing	1.44Å	1.33Å
C18	O19	sing	1.37Å	1.22Å
C20	O19	sing	1.44Å	1.15Å
C10	H1	sing	1.09Å	1.10Å
C11	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C20	H5	sing	1.09Å	1.10Å
C20	H6	sing	1.09Å	1.10Å
C17	H7	sing	1.08Å	1.08Å
C05	H8	sing	1.08Å	1.08Å
C07	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.09Å	1.10Å
C08	H11	sing	1.09Å	1.10Å
C08	H12	sing	1.09Å	1.10Å
C23	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C08	C07	O06	111.2°	109.5°
C07	C08	S09	111.4°	109.5°
C08	C07	H9	109.0°	109.5°
C08	C07	H10	109.0°	109.5°
C07	C08	H11	109.0°	109.5°
C07	C08	H12	109.0°	109.4°
C07	O06	C05	112.9°	117.0°
O06	C07	H9	109.0°	109.5°
O06	C07	H10	109.0°	109.5°
C08	S09	C10	112.2°	103.0°
S09	C08	H11	109.0°	109.5°
S09	C08	H12	109.0°	109.4°
O06	C05	O24	119.9°	120.0°
O06	C05	H8	120.0°	120.0°
O24	C05	H8	120.1°	120.0°
S09	C10	C12	104.0°	109.5°
S09	C10	C11	112.0°	109.5°
S09	C10	H1	107.3°	109.5°
C12	C10	C11	111.5°	109.5°
C10	C12	C23	112.5°	120.0°
C10	C12	C13	120.1°	119.9°
C12	C10	H1	110.9°	109.4°
C11	C10	H1	110.8°	109.4°
C10	C11	H2	109.5°	109.4°
C10	C11	H3	109.5°	109.5°
C10	C11	H4	109.5°	109.5°
O16	N14	C13	119.9°	120.0°
O16	N14	O15	120.0°	119.9°
C23	C12	C13	127.4°	120.2°
C12	C23	C22	109.5°	120.0°
C12	C23	H13	125.2°	120.0°
C12	C13	N14	120.7°	119.9°
C12	C13	C17	127.5°	120.1°
C23	C22	O21	143.5°	131.5°
C23	C22	C18	116.4°	119.8°
C22	C23	H13	125.3°	120.0°
C13	N14	O15	120.1°	120.0°
N14	C13	C17	111.9°	119.9°
C13	C17	C18	124.7°	120.0°
C13	C17	H7	117.6°	120.0°
O21	C22	C18	100.2°	108.6°
C22	O21	C20	94.5°	105.4°
C22	C18	C17	114.6°	119.9°
C22	C18	O19	101.8°	108.7°
C17	C18	O19	143.6°	131.5°
C18	C17	H7	117.7°	120.0°
O21	C20	O19	119.7°	103.6°
O21	C20	H5	106.9°	111.0°
O21	C20	H6	106.9°	110.5°
C18	O19	C20	120.3°	105.4°
O19	C20	H5	106.9°	110.6°
O19	C20	H6	106.8°	110.5°
H2	C11	H3	109.5°	109.5°
H2	C11	H4	109.4°	109.5°
H3	C11	H4	109.5°	109.5°
H5	C20	H6	109.5°	110.5°
H9	C07	H10	109.5°	109.4°
H11	C08	H12	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C08	C07	O06	H9	120.3°	120.0°
C08	C07	O06	H10	120.3°	120.1°
C07	C08	S09	H11	120.3°	120.0°
C07	C08	S09	H12	120.3°	119.9°
C08	C07	O06	C05	135.5°	180.0°
C07	C08	S09	C10	118.3°	180.0°
C08	C07	H9	H10	119.2°	120.0°
C07	C08	H11	H12	119.1°	120.0°
O06	C07	C08	S09	64.4°	180.0°
C07	O06	C05	O24	54.6°	180.0°
C07	O06	C05	H8	125.4°	0.0°
O06	C07	H9	H10	119.2°	120.0°
O06	C07	C08	H11	175.3°	60.0°
O06	C07	C08	H12	55.9°	60.1°
C08	S09	C10	C12	92.4°	175.0°
C08	S09	C10	C11	147.0°	65.0°
C08	S09	C10	H1	25.2°	55.0°
S09	C08	C07	H9	175.4°	60.0°
S09	C08	C07	H10	55.9°	59.9°
S09	C08	H11	H12	119.1°	120.0°
O06	C05	O24	H8	180.0°	179.9°
C05	O06	C07	H9	104.3°	60.0°
C05	O06	C07	H10	15.2°	59.9°
S09	C10	C12	C11	120.9°	120.0°
S09	C10	C12	H1	115.1°	120.0°
S09	C10	C11	H1	119.8°	120.0°
S09	C10	C12	C23	43.3°	141.5°
S09	C10	C12	C13	134.6°	38.8°
S09	C10	C11	H2	180.0°	60.0°
S09	C10	C11	H3	60.0°	60.0°
S09	C10	C11	H4	60.0°	180.0°
C10	S09	C08	H11	121.4°	60.0°
C10	S09	C08	H12	2.0°	60.0°
C12	C10	C11	H1	124.0°	119.9°
C10	C12	C23	C13	177.7°	179.7°
C10	C12	C23	C22	178.8°	179.9°
C10	C12	C13	N14	2.2°	0.1°
C10	C12	C13	C17	179.7°	180.0°
C12	C10	C11	H2	63.9°	60.0°
C12	C10	C11	H3	56.1°	180.0°
C12	C10	C11	H4	176.1°	60.0°
C10	C12	C23	H13	1.2°	0.0°
C11	C10	C12	C23	77.6°	98.5°
C11	C10	C12	C13	104.5°	81.2°
C10	C11	H2	H3	120.0°	120.0°
C10	C11	H2	H4	120.0°	120.0°
C10	C11	H3	H4	120.0°	120.0°
O16	N14	C13	C12	77.8°	47.8°
O16	N14	C13	O15	178.1°	180.0°
O16	N14	C13	C17	103.7°	132.2°
C12	C23	C22	H13	180.0°	179.9°
C23	C12	C13	N14	179.7°	179.8°
C23	C12	C13	C17	2.1°	0.3°
C12	C23	C22	O21	179.9°	179.9°
C12	C23	C22	C18	0.1°	0.1°
C23	C12	C10	H1	158.4°	21.4°
C13	C12	C23	C22	1.1°	0.2°
C12	C13	N14	C17	178.4°	180.0°
C12	C13	N14	O15	104.0°	132.2°
C12	C13	C17	C18	1.8°	0.0°
C13	C12	C10	H1	19.5°	158.9°
C12	C13	C17	H7	178.2°	180.0°
C13	C12	C23	H13	178.9°	179.7°
C23	C22	O21	C18	179.8°	179.9°
C23	C22	C18	C17	0.1°	0.3°
C23	C22	O21	C20	170.6°	162.4°
C23	C22	C18	O19	179.6°	179.9°
N14	C13	C17	C18	179.9°	180.0°
N14	C13	C17	H7	0.1°	0.0°
O15	N14	C13	C17	74.4°	47.7°
C13	C17	C18	C22	0.6°	0.3°
C13	C17	C18	H7	180.0°	180.0°
C13	C17	C18	O19	178.6°	180.0°
O21	C22	C18	C17	179.8°	179.8°
O21	C22	C18	O19	0.3°	0.0°
C22	O21	C20	O19	18.3°	27.5°
C22	O21	C20	H5	103.2°	91.2°
C22	O21	C20	H6	139.7°	145.9°
O21	C22	C23	H13	0.1°	0.2°
C22	C18	C17	O19	179.2°	179.7°
C18	C22	O21	C20	9.2°	17.5°
C22	C18	O19	C20	11.8°	17.5°
C22	C18	C17	H7	179.3°	179.7°
C18	C22	C23	H13	179.9°	180.0°
C17	C18	O19	C20	167.5°	162.7°
O21	C20	O19	C18	22.7°	27.5°
O21	C20	O19	H5	121.4°	119.0°
O21	C20	O19	H6	121.5°	118.3°
O21	C20	H5	H6	115.4°	122.9°
C18	O19	C20	H5	98.7°	91.5°
C18	O19	C20	H6	144.2°	145.8°
O19	C18	C17	H7	1.5°	0.0°
O19	C20	H5	H6	115.3°	122.7°
H1	C10	C11	H2	60.1°	179.9°
H1	C10	C11	H3	179.8°	60.0°
H1	C10	C11	H4	59.8°	60.0°
H2	C11	H3	H4	119.9°	120.0°
H9	C07	C08	H11	55.1°	60.0°
H9	C07	C08	H12	64.3°	179.9°
H10	C07	C08	H11	64.4°	180.0°
H10	C07	C08	H12	176.2°	60.0°

Release date:	2024-09-18
Definition date:	2024-07-01
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	9CGL