6YH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N17	C16	doub	1.30Å	1.37Å	Aromatic
N17	C19	sing	1.36Å	1.35Å	Aromatic
C16	N14	sing	1.36Å	1.34Å	Aromatic
C19	C23	doub	1.40Å	1.41Å	Aromatic
C19	C18	sing	1.41Å	1.36Å	Aromatic
N14	C18	sing	1.38Å	1.37Å	Aromatic
N14	C13	sing	1.46Å	1.48Å
C23	C22	sing	1.37Å	1.38Å	Aromatic
O12	C11	doub	1.21Å	1.23Å
C18	C20	doub	1.39Å	1.34Å	Aromatic
C13	C11	sing	1.51Å	1.50Å
C11	C4	sing	1.47Å	1.48Å
C22	C21	doub	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.40Å	1.39Å	Aromatic
C4	C5	sing	1.40Å	1.40Å	Aromatic
C20	C21	sing	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.40Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.38Å	Aromatic
C6	C1	sing	1.38Å	1.40Å	Aromatic
C1	S7	sing	1.76Å	1.77Å
N10	S7	sing	1.66Å	1.60Å
O8	S7	doub	1.42Å	1.41Å
S7	O9	doub	1.42Å	1.46Å
C3	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
N10	H5	sing	0.97Å	1.00Å
N10	H6	sing	0.97Å	1.00Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C20	H9	sing	1.08Å	1.08Å
C21	H10	sing	1.08Å	1.08Å
C22	H11	sing	1.08Å	1.08Å
C23	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	N17	C19	105.0°	109.6°
N17	C16	N14	111.2°	110.1°
N17	C16	H13	124.4°	124.9°
N17	C19	C23	128.9°	133.6°
N17	C19	C18	109.1°	106.9°
C16	N14	C18	105.4°	107.3°
C16	N14	C13	132.0°	126.3°
N14	C16	H13	124.4°	125.0°
C23	C19	C18	122.0°	119.4°
C19	C23	C22	116.1°	119.9°
C19	C23	H12	121.9°	120.1°
C19	C18	N14	108.6°	106.0°
C19	C18	C20	121.3°	119.8°
C18	N14	C13	122.1°	126.3°
N14	C18	C20	130.0°	134.1°
N14	C13	C11	107.3°	109.5°
N14	C13	H7	110.0°	109.5°
N14	C13	H8	110.0°	109.5°
C23	C22	C21	120.9°	120.6°
C23	C22	H11	119.5°	119.7°
C22	C23	H12	122.0°	120.0°
O12	C11	C13	123.1°	120.0°
O12	C11	C4	121.0°	120.0°
C18	C20	C21	118.9°	119.7°
C18	C20	H9	120.6°	120.1°
C13	C11	C4	114.0°	120.0°
C11	C13	H7	110.0°	109.5°
C11	C13	H8	110.0°	109.5°
C11	C4	C3	117.3°	120.2°
C11	C4	C5	121.8°	120.2°
C22	C21	C20	120.7°	120.5°
C22	C21	H10	119.6°	119.7°
C21	C22	H11	119.5°	119.7°
C3	C4	C5	120.8°	119.7°
C4	C3	C2	117.2°	119.8°
C4	C3	H1	121.4°	120.0°
C4	C5	C6	121.3°	119.9°
C4	C5	H3	119.4°	120.1°
C21	C20	H9	120.6°	120.2°
C20	C21	H10	119.6°	119.8°
C3	C2	C1	122.2°	120.2°
C2	C3	H1	121.4°	120.2°
C3	C2	H2	118.9°	119.9°
C5	C6	C1	118.6°	120.1°
C6	C5	H3	119.3°	120.0°
C5	C6	H4	120.7°	119.9°
C2	C1	C6	119.7°	120.3°
C2	C1	S7	120.5°	119.9°
C1	C2	H2	118.9°	119.9°
C6	C1	S7	119.7°	119.8°
C1	C6	H4	120.7°	119.9°
C1	S7	N10	107.5°	107.2°
C1	S7	O8	106.5°	106.4°
C1	S7	O9	104.1°	106.4°
N10	S7	O8	110.4°	106.4°
N10	S7	O9	110.0°	106.4°
S7	N10	H5	109.5°	120.0°
S7	N10	H6	109.5°	120.0°
O8	S7	O9	117.7°	123.2°
H5	N10	H6	109.5°	120.0°
H7	C13	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N17	C16	N14	H13	180.0°	179.6°
C16	N17	C19	C23	175.8°	179.8°
C16	N17	C19	C18	2.8°	0.2°
N17	C16	N14	C18	7.7°	0.4°
N17	C16	N14	C13	179.6°	179.9°
C19	N17	C16	N14	6.6°	0.4°
N17	C19	C23	C18	178.5°	179.9°
N17	C19	C18	N14	1.8°	0.1°
N17	C19	C23	C22	180.0°	179.9°
N17	C19	C18	C20	178.9°	180.0°
N17	C19	C23	H12	0.0°	0.1°
C19	N17	C16	H13	173.4°	180.0°
C16	N14	C18	C19	5.7°	0.3°
C16	N14	C18	C13	172.9°	179.7°
C16	N14	C18	C20	177.5°	179.8°
C16	N14	C13	C11	80.8°	95.3°
C16	N14	C13	H7	38.8°	144.7°
C16	N14	C13	H8	159.5°	24.6°
C23	C19	C18	N14	179.5°	180.0°
C19	C23	C22	H12	180.0°	180.0°
C23	C19	C18	C20	2.3°	0.1°
C19	C23	C22	C21	1.5°	0.1°
C19	C23	C22	H11	178.5°	179.9°
C19	C18	N14	C20	176.8°	179.9°
C19	C18	N14	C13	178.6°	180.0°
C18	C19	C23	C22	1.5°	0.0°
C19	C18	C20	C21	0.1°	0.1°
C19	C18	C20	H9	179.9°	179.9°
C18	C19	C23	H12	178.5°	180.0°
C18	N14	C13	C11	90.0°	85.1°
N14	C18	C20	C21	176.6°	180.0°
C18	N14	C13	H7	150.4°	34.9°
C18	N14	C13	H8	29.7°	154.9°
N14	C18	C20	H9	3.4°	0.1°
C18	N14	C16	H13	172.3°	180.0°
N14	C13	C11	O12	10.3°	0.0°
C13	N14	C18	C20	4.6°	0.1°
N14	C13	C11	H7	119.6°	120.0°
N14	C13	C11	H8	119.6°	120.0°
N14	C13	C11	C4	175.1°	179.7°
N14	C13	H7	H8	121.0°	120.0°
C13	N14	C16	H13	0.4°	0.3°
C23	C22	C21	H11	180.0°	179.8°
C23	C22	C21	C20	3.7°	0.0°
C23	C22	C21	H10	176.3°	179.9°
O12	C11	C13	C4	164.8°	179.7°
O12	C11	C4	C3	2.4°	0.0°
O12	C11	C4	C5	173.6°	179.8°
O12	C11	C13	H7	129.9°	120.0°
O12	C11	C13	H8	109.4°	120.0°
C18	C20	C21	C22	2.8°	0.1°
C18	C20	C21	H9	180.0°	179.9°
C18	C20	C21	H10	177.2°	180.0°
C13	C11	C4	C3	167.6°	179.8°
C13	C11	C4	C5	8.4°	0.0°
C11	C13	H7	H8	121.0°	120.0°
C11	C4	C3	C5	176.1°	179.8°
C11	C4	C3	C2	178.1°	180.0°
C11	C4	C5	C6	178.3°	180.0°
C11	C4	C3	H1	1.9°	0.1°
C11	C4	C5	H3	1.7°	0.1°
C4	C11	C13	H7	65.3°	60.3°
C4	C11	C13	H8	55.5°	59.7°
C22	C21	C20	H10	180.0°	180.0°
C22	C21	C20	H9	177.2°	180.0°
C21	C22	C23	H12	178.5°	180.0°
C4	C3	C2	H1	180.0°	179.9°
C3	C4	C5	C6	2.4°	0.2°
C4	C3	C2	C1	2.1°	0.1°
C4	C3	C2	H2	177.9°	180.0°
C3	C4	C5	H3	177.6°	179.7°
C5	C4	C3	C2	2.1°	0.2°
C4	C5	C6	H3	180.0°	180.0°
C4	C5	C6	C1	1.4°	0.0°
C5	C4	C3	H1	177.9°	179.7°
C4	C5	C6	H4	178.6°	180.0°
C20	C21	C22	H11	176.3°	179.9°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	C6	6.0°	0.4°
C3	C2	C1	S7	177.8°	179.9°
C5	C6	C1	C2	5.5°	0.3°
C5	C6	C1	H4	180.0°	180.0°
C5	C6	C1	S7	178.3°	180.0°
C2	C1	C6	S7	176.2°	179.7°
C2	C1	S7	N10	136.4°	90.0°
C2	C1	S7	O8	18.1°	156.5°
C2	C1	S7	O9	107.0°	23.5°
C1	C2	C3	H1	177.9°	180.0°
C2	C1	C6	H4	174.5°	179.7°
C6	C1	S7	N10	47.4°	89.7°
C6	C1	S7	O8	165.7°	23.8°
C6	C1	S7	O9	69.2°	156.8°
C6	C1	C2	H2	174.0°	179.7°
C1	C6	C5	H3	178.6°	180.0°
C1	S7	N10	O8	115.8°	113.5°
C1	S7	N10	O9	112.7°	113.5°
C1	S7	O8	O9	116.3°	123.0°
S7	C1	C2	H2	2.2°	0.0°
S7	C1	C6	H4	1.7°	0.0°
C1	S7	N10	H5	180.0°	150.0°
C1	S7	N10	H6	60.0°	30.0°
N10	S7	O8	O9	127.3°	122.9°
S7	N10	H5	H6	120.0°	179.9°
O8	S7	N10	H5	64.2°	36.4°
O8	S7	N10	H6	55.8°	143.5°
O9	S7	N10	H5	67.3°	96.5°
O9	S7	N10	H6	172.7°	83.6°
H1	C3	C2	H2	2.1°	0.1°
H3	C5	C6	H4	1.4°	0.0°
H9	C20	C21	H10	2.8°	0.0°
H10	C21	C22	H11	3.7°	0.1°
H11	C22	C23	H12	1.5°	0.1°

Release date:	2017-08-16
Definition date:	2016-07-26
Last modified:	2017-08-11
Release status:	REL
Processing site:	EBI
Derived from:	5LL4