1S7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	sing	1.43Å	1.45Å
C	H	sing	1.09Å	1.10Å
C	HA	sing	1.09Å	1.10Å
C	HB	sing	1.09Å	1.10Å
C1	N	sing	1.46Å	1.47Å
N	C2	sing	1.35Å	1.32Å
N	HN	sing	0.97Å	1.00Å
C1	O	sing	1.43Å	1.43Å
C4	S	sing	1.76Å	1.71Å	Aromatic
C7	S	sing	1.76Å	1.74Å	Aromatic
C8	C1	sing	1.53Å	1.51Å
C14	C1	sing	1.51Å	1.49Å
O1	C2	doub	1.21Å	1.20Å
C9	S1	sing	1.82Å	1.78Å
S1	C8	sing	1.82Å	1.76Å
C2	C3	sing	1.51Å	1.51Å
C8	N2	sing	1.45Å	1.43Å
C13	N2	doub	1.28Å	1.29Å
C3	C4	sing	1.51Å	1.48Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C5	C4	doub	1.33Å	1.38Å	Aromatic
O4	C14	doub	1.21Å	1.20Å
C5	C6	sing	1.38Å	1.38Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C15	O5	doub	1.21Å	1.22Å
C6	C7	doub	1.33Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C15	O6	sing	1.35Å	1.27Å
O6	HO6	sing	0.97Å	0.95Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.10Å
C9	C10	sing	1.52Å	1.53Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C11	C10	doub	1.33Å	1.36Å
C10	C13	sing	1.47Å	1.44Å
C11	H11	sing	1.08Å	1.08Å
C11	H11A	sing	1.08Å	1.08Å
C13	C15	sing	1.49Å	1.48Å
C14	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	H	109.5°	109.5°
O	C	HA	109.4°	109.5°
O	C	HB	109.5°	109.4°
C	O	C1	113.0°	114.0°
H	C	HA	109.5°	109.5°
H	C	HB	109.5°	109.4°
HA	C	HB	109.5°	109.5°
C1	N	C2	124.0°	120.0°
C1	N	HN	118.0°	120.0°
N	C1	O	114.6°	109.5°
N	C1	C8	102.4°	109.5°
N	C1	C14	107.4°	109.5°
C2	N	HN	118.0°	120.0°
N	C2	O1	124.5°	120.0°
N	C2	C3	121.0°	120.0°
O	C1	C8	114.3°	109.4°
O	C1	C14	111.8°	109.4°
C4	S	C7	89.7°	91.0°
S	C4	C3	107.7°	125.2°
S	C4	C5	114.9°	109.6°
S	C7	C6	110.7°	109.6°
S	C7	H7	124.7°	125.2°
C8	C1	C14	105.5°	109.5°
C1	C8	S1	111.9°	109.4°
C1	C8	N2	108.8°	109.3°
C1	C8	H8	109.8°	109.3°
C1	C14	O4	121.7°	119.9°
C1	C14	H14	119.2°	120.0°
O1	C2	C3	114.3°	120.0°
C9	S1	C8	95.8°	101.4°
S1	C9	C10	113.0°	106.7°
S1	C9	H9	108.6°	110.0°
S1	C9	H9A	108.6°	110.0°
S1	C8	N2	108.4°	110.4°
S1	C8	H8	106.9°	109.3°
C2	C3	C4	114.3°	109.5°
C2	C3	H3	108.2°	109.4°
C2	C3	H3A	108.2°	109.5°
C8	N2	C13	125.6°	127.7°
N2	C8	H8	111.0°	109.2°
N2	C13	C10	122.9°	126.3°
N2	C13	C15	115.0°	116.8°
C4	C3	H3	108.2°	109.5°
C4	C3	H3A	108.2°	109.5°
C3	C4	C5	137.2°	125.3°
H3	C3	H3A	109.5°	109.4°
C4	C5	C6	109.9°	115.0°
C4	C5	H5	125.0°	122.5°
O4	C14	H14	119.2°	120.0°
C6	C5	H5	125.0°	122.5°
C5	C6	C7	114.6°	114.9°
C5	C6	H6	122.7°	122.5°
O5	C15	O6	120.3°	120.0°
O5	C15	C13	117.6°	120.0°
C7	C6	H6	122.7°	122.6°
C6	C7	H7	124.7°	125.2°
C15	O6	HO6	109.5°	117.0°
O6	C15	C13	122.1°	120.0°
C10	C9	H9	108.6°	110.0°
C10	C9	H9A	108.6°	110.0°
C9	C10	C11	118.7°	120.4°
C9	C10	C13	119.3°	119.3°
H9	C9	H9A	109.5°	110.0°
C11	C10	C13	121.7°	120.3°
C10	C11	H11	120.0°	120.0°
C10	C11	H11A	120.0°	120.0°
C10	C13	C15	122.0°	116.9°
H11	C11	H11A	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	H	HA	120.0°	120.1°
O	C	H	HB	120.0°	119.9°
O	C	HA	HB	120.0°	120.0°
C	O	C1	N	26.2°	60.8°
C	O	C1	C8	144.0°	179.2°
C	O	C1	C14	96.3°	59.2°
H	C	HA	HB	120.0°	120.0°
H	C	O	C1	180.0°	64.9°
HA	C	O	C1	60.0°	55.1°
HB	C	O	C1	60.0°	175.1°
C1	N	C2	HN	180.0°	179.9°
N	C1	O	C8	117.8°	120.0°
N	C1	O	C14	122.4°	120.0°
N	C1	C8	C14	112.2°	120.1°
C1	N	C2	O1	6.5°	0.0°
N	C1	C8	S1	169.5°	176.9°
C1	N	C2	C3	177.4°	180.0°
N	C1	C8	N2	49.7°	56.0°
N	C1	C14	O4	61.6°	0.0°
N	C1	C8	H8	71.9°	63.5°
N	C1	C14	H14	118.4°	180.0°
C2	N	C1	O	96.9°	180.0°
C2	N	C1	C8	138.7°	60.0°
C2	N	C1	C14	27.9°	60.0°
N	C2	O1	C3	176.4°	180.0°
N	C2	C3	C4	8.2°	180.0°
N	C2	C3	H3	112.5°	60.0°
N	C2	C3	H3A	128.9°	60.0°
HN	N	C1	O	83.1°	0.0°
HN	N	C1	C8	41.3°	120.0°
HN	N	C1	C14	152.1°	119.9°
HN	N	C2	O1	173.5°	179.9°
HN	N	C2	C3	2.6°	0.0°
O	C1	C8	C14	123.3°	119.9°
O	C1	C8	S1	45.0°	56.9°
O	C1	C8	N2	74.8°	64.0°
O	C1	C14	O4	172.0°	120.0°
O	C1	C8	H8	163.5°	176.5°
O	C1	C14	H14	8.0°	60.0°
S	C4	C3	C2	137.4°	90.1°
S	C4	C3	C5	173.2°	179.9°
S	C4	C3	H3	16.7°	150.0°
S	C4	C3	H3A	101.9°	30.0°
S	C4	C5	C6	4.9°	0.0°
S	C4	C5	H5	175.1°	180.0°
C4	S	C7	C6	2.2°	0.0°
C4	S	C7	H7	177.7°	180.0°
C7	S	C4	C3	179.1°	179.9°
C7	S	C4	C5	4.2°	0.0°
S	C7	C6	C5	0.1°	0.0°
S	C7	C6	H7	180.0°	180.0°
S	C7	C6	H6	179.9°	179.9°
C1	C8	S1	C9	178.3°	167.5°
C1	C8	S1	N2	120.0°	120.3°
C1	C8	S1	H8	120.3°	119.6°
C1	C8	N2	H8	120.9°	119.5°
C1	C8	N2	C13	170.3°	143.4°
C8	C1	C14	O4	47.1°	120.0°
C8	C1	C14	H14	132.9°	59.9°
C14	C1	C8	S1	78.3°	63.0°
C14	C1	C8	N2	162.0°	176.1°
C1	C14	O4	H14	180.0°	180.0°
C14	C1	C8	H8	40.3°	56.6°
O1	C2	C3	C4	175.3°	0.1°
O1	C2	C3	H3	64.0°	120.1°
O1	C2	C3	H3A	54.6°	120.0°
C9	S1	C8	N2	61.7°	47.2°
C9	S1	C8	H8	58.0°	72.9°
S1	C9	C10	H9	120.6°	119.3°
S1	C9	C10	H9A	120.5°	119.3°
S1	C9	H9	H9A	118.4°	121.3°
S1	C9	C10	C11	152.7°	137.9°
S1	C9	C10	C13	22.0°	42.0°
S1	C8	N2	H8	117.1°	120.2°
S1	C8	N2	C13	48.3°	23.1°
C8	S1	C9	C10	50.6°	55.5°
C8	S1	C9	H9	69.9°	63.8°
C8	S1	C9	H9A	171.1°	174.8°
C2	C3	C4	H3	120.7°	119.9°
C2	C3	C4	H3A	120.7°	120.0°
C2	C3	H3	H3A	117.8°	119.9°
C2	C3	C4	C5	49.3°	90.0°
C8	N2	C13	C10	9.2°	1.0°
C8	N2	C13	C15	175.1°	178.9°
N2	C13	C15	O5	115.1°	172.9°
N2	C13	C15	O6	63.0°	7.2°
C13	N2	C8	H8	68.8°	97.0°
N2	C13	C10	C9	5.6°	12.4°
N2	C13	C10	C11	179.9°	167.5°
N2	C13	C10	C15	175.4°	179.9°
C4	C3	H3	H3A	117.8°	120.1°
C3	C4	C5	C6	177.8°	179.9°
C3	C4	C5	H5	2.2°	0.1°
H3	C3	C4	C5	170.0°	29.9°
H3A	C3	C4	C5	71.4°	149.9°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	3.1°	0.0°
C4	C5	C6	H6	176.9°	179.9°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	H7	179.9°	180.0°
H5	C5	C6	C7	176.9°	180.0°
H5	C5	C6	H6	3.1°	0.1°
O5	C15	O6	C13	178.1°	179.9°
O5	C15	O6	HO6	0.0°	0.1°
O5	C15	C13	C10	69.1°	7.1°
H6	C6	C7	H7	0.1°	0.1°
O6	C15	C13	C10	112.7°	172.9°
HO6	O6	C15	C13	178.1°	180.0°
C10	C9	H9	H9A	118.4°	121.4°
C9	C10	C11	C13	174.6°	179.9°
C9	C10	C11	H11	174.6°	6.4°
C9	C10	C11	H11A	5.4°	173.7°
C9	C10	C13	C15	169.8°	167.5°
H9	C9	C10	C11	86.7°	102.8°
H9	C9	C10	C13	98.6°	77.3°
H9A	C9	C10	C11	32.2°	18.6°
H9A	C9	C10	C13	142.5°	161.3°
C10	C11	H11	H11A	180.0°	179.9°
C11	C10	C13	C15	4.8°	12.6°
C13	C10	C11	H11	0.0°	173.7°
C13	C10	C11	H11A	180.0°	6.2°

Release date:	2014-10-29
Definition date:	2013-05-15
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	4KEN