FO5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.21Å	1.25Å
C	C1	sing	1.51Å	1.51Å
C	N1	sing	1.35Å	1.33Å
N	C2	trip	1.14Å	1.18Å
S	C10	sing	1.76Å	1.72Å	Aromatic
S	C13	sing	1.76Å	1.77Å	Aromatic
C1	C2	sing	1.47Å	1.49Å
N1	C3	sing	1.47Å	1.45Å
N1	C7	sing	1.47Å	1.47Å
O1	N2	sing	1.21Å	1.37Å	Aromatic
O1	C8	sing	1.34Å	1.35Å	Aromatic
N2	C9	doub	1.31Å	1.34Å	Aromatic
C3	C4	sing	1.53Å	1.50Å
N3	C8	doub	1.31Å	1.36Å	Aromatic
N3	C9	sing	1.35Å	1.34Å	Aromatic
C4	C5	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.49Å
C5	C8	sing	1.51Å	1.45Å
C6	C7	sing	1.54Å	1.52Å
C9	C10	sing	1.48Å	1.41Å
C10	C11	doub	1.35Å	1.38Å	Aromatic
C11	C12	sing	1.38Å	1.41Å	Aromatic
C12	C13	doub	1.34Å	1.39Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	121.1°	120.0°
O	C	N1	122.2°	120.0°
C1	C	N1	116.5°	120.0°
C	C1	C2	112.4°	109.5°
C	C1	H1	108.5°	109.5°
C	C1	H1A	108.5°	109.5°
C	N1	C3	118.3°	120.6°
C	N1	C7	122.1°	120.6°
N	C2	C1	177.4°	180.0°
C10	S	C13	95.6°	91.0°
S	C10	C9	120.6°	125.3°
S	C10	C11	109.0°	109.4°
S	C13	C12	105.5°	109.7°
S	C13	H13	127.2°	125.1°
C2	C1	H1	108.5°	109.5°
C2	C1	H1A	108.5°	109.5°
C3	N1	C7	119.4°	118.7°
N1	C3	C4	109.5°	108.8°
N1	C3	H3	109.5°	109.6°
N1	C3	H3A	109.5°	109.6°
N1	C7	C6	116.1°	108.5°
N1	C7	H7	107.3°	109.6°
N1	C7	H7A	107.3°	109.6°
N2	O1	C8	108.0°	110.1°
O1	N2	C9	104.6°	110.0°
O1	C8	N3	110.1°	107.2°
O1	C8	C5	117.2°	126.4°
N2	C9	N3	113.0°	107.1°
N2	C9	C10	127.1°	126.5°
C3	C4	C5	110.1°	109.3°
C4	C3	H3	109.4°	109.6°
C4	C3	H3A	109.4°	109.6°
C3	C4	H4	109.3°	109.5°
C3	C4	H4A	109.3°	109.5°
C8	N3	C9	104.2°	105.6°
N3	C8	C5	132.7°	126.4°
N3	C9	C10	119.8°	126.4°
C4	C5	C6	100.0°	109.5°
C4	C5	C8	105.3°	109.5°
C5	C4	H4	109.3°	109.5°
C5	C4	H4A	109.3°	109.5°
C4	C5	H5	117.1°	109.5°
C6	C5	C8	107.6°	109.4°
C5	C6	C7	107.5°	109.3°
C6	C5	H5	115.2°	109.4°
C5	C6	H6	110.1°	109.5°
C5	C6	H6A	110.1°	109.5°
C8	C5	H5	110.6°	109.5°
C7	C6	H6	110.1°	109.6°
C7	C6	H6A	110.1°	109.5°
C6	C7	H7	107.3°	109.7°
C6	C7	H7A	107.3°	109.7°
C9	C10	C11	130.4°	125.3°
C10	C11	C12	113.3°	114.7°
C10	C11	H11	123.3°	122.7°
C11	C12	C13	116.5°	115.1°
C12	C11	H11	123.4°	122.6°
C11	C12	H12	121.8°	122.4°
C13	C12	H12	121.7°	122.4°
C12	C13	H13	127.2°	125.1°
H1	C1	H1A	110.4°	109.4°
H3	C3	H3A	109.5°	109.7°
H4	C4	H4A	109.6°	109.5°
H6	C6	H6A	108.8°	109.5°
H7	C7	H7A	111.6°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	N1	175.5°	179.7°
O	C	C1	C2	1.3°	0.0°
O	C	N1	C3	0.8°	0.0°
O	C	N1	C7	175.0°	179.7°
O	C	C1	H1	121.3°	120.0°
O	C	C1	H1A	118.7°	120.0°
C	C1	C2	N	98.2°	102.9°
C	C1	C2	H1	120.0°	120.0°
C	C1	C2	H1A	120.0°	120.0°
C1	C	N1	C3	176.2°	179.7°
C1	C	N1	C7	0.4°	0.6°
C	C1	H1	H1A	118.8°	120.0°
N1	C	C1	C2	176.8°	179.7°
C	N1	C3	C7	175.9°	179.7°
C	N1	C3	C4	153.5°	126.4°
C	N1	C7	C6	157.0°	126.4°
N1	C	C1	H1	63.2°	59.7°
N1	C	C1	H1A	56.8°	60.3°
C	N1	C3	H3	33.6°	6.6°
C	N1	C3	H3A	86.5°	113.8°
C	N1	C7	H7	83.0°	113.8°
C	N1	C7	H7A	37.0°	6.7°
N	C2	C1	H1	21.8°	137.1°
N	C2	C1	H1A	141.8°	17.1°
S	C10	C9	N2	177.6°	180.0°
S	C10	C9	N3	4.0°	0.1°
S	C10	C9	C11	179.2°	179.9°
S	C10	C11	C12	0.1°	0.0°
C10	S	C13	C12	2.1°	0.0°
S	C10	C11	H11	179.9°	179.9°
C10	S	C13	H13	177.8°	179.9°
C13	S	C10	C9	179.4°	179.9°
C13	S	C10	C11	1.2°	0.0°
S	C13	C12	C11	2.6°	0.0°
S	C13	C12	H13	180.0°	179.9°
S	C13	C12	H12	177.4°	180.0°
C2	C1	H1	H1A	118.8°	120.0°
N1	C3	C4	H3	120.0°	119.8°
N1	C3	C4	H3A	120.0°	119.7°
N1	C3	C4	C5	56.8°	54.6°
C3	N1	C7	C6	27.3°	53.9°
N1	C3	H3	H3A	120.0°	120.3°
N1	C3	C4	H4	63.2°	65.3°
N1	C3	C4	H4A	176.8°	174.6°
C3	N1	C7	H7	92.7°	65.9°
C3	N1	C7	H7A	147.3°	173.7°
C7	N1	C3	C4	30.5°	53.9°
N1	C7	C6	C5	47.6°	54.8°
N1	C7	C6	H7	120.0°	119.7°
N1	C7	C6	H7A	120.0°	119.7°
C7	N1	C3	H3	150.5°	173.7°
C7	N1	C3	H3A	89.4°	65.9°
N1	C7	C6	H6	72.4°	65.1°
N1	C7	C6	H6A	167.6°	174.8°
N1	C7	H7	H7A	117.3°	120.4°
N2	O1	C8	N3	0.0°	0.0°
O1	N2	C9	N3	1.7°	0.0°
N2	O1	C8	C5	178.1°	179.9°
O1	N2	C9	C10	179.8°	179.9°
C8	O1	N2	C9	1.0°	0.0°
O1	C8	N3	C5	177.6°	180.0°
O1	C8	N3	C9	1.0°	0.0°
O1	C8	C5	C4	172.1°	59.9°
O1	C8	C5	C6	66.1°	60.1°
O1	C8	C5	H5	60.5°	180.0°
N2	C9	N3	C8	1.7°	0.0°
N2	C9	N3	C10	178.6°	179.9°
N2	C9	C10	C11	1.6°	0.1°
C3	C4	C5	H4	120.0°	119.9°
C3	C4	C5	H4A	120.0°	120.0°
C3	C4	C5	C6	77.4°	61.4°
C3	C4	C5	C8	171.1°	178.7°
C4	C3	H3	H3A	120.0°	120.4°
C3	C4	H4	H4A	119.8°	120.1°
C3	C4	C5	H5	47.8°	58.6°
N3	C8	C5	C4	5.4°	120.0°
N3	C8	C5	C6	111.4°	119.9°
C8	N3	C9	C10	179.6°	179.9°
N3	C8	C5	H5	122.0°	0.0°
C9	N3	C8	C5	178.7°	179.9°
N3	C9	C10	C11	176.8°	179.9°
C4	C5	C6	C8	109.7°	120.0°
C4	C5	C6	H5	126.5°	120.0°
C4	C5	C8	H5	127.4°	120.0°
C4	C5	C6	C7	68.7°	61.5°
C5	C4	C3	H3	176.8°	174.4°
C5	C4	C3	H3A	63.2°	65.1°
C5	C4	H4	H4A	119.7°	120.1°
C4	C5	C6	H6	51.3°	58.6°
C4	C5	C6	H6A	171.3°	178.7°
C6	C5	C8	H5	126.6°	119.9°
C5	C6	C7	H6	120.0°	120.0°
C5	C6	C7	H6A	120.0°	119.9°
C6	C5	C4	H4	42.6°	58.6°
C6	C5	C4	H4A	162.6°	178.7°
C5	C6	H6	H6A	120.8°	120.1°
C5	C6	C7	H7	72.4°	64.9°
C5	C6	C7	H7A	167.6°	174.5°
C8	C5	C6	C7	178.4°	178.5°
C8	C5	C4	H4	68.8°	61.4°
C8	C5	C4	H4A	51.1°	58.7°
C8	C5	C6	H6	58.4°	61.4°
C8	C5	C6	H6A	61.6°	58.6°
C7	C6	C5	H5	57.8°	58.6°
C7	C6	H6	H6A	120.8°	120.1°
C6	C7	H7	H7A	117.3°	120.6°
C9	C10	C11	C12	179.2°	180.0°
C9	C10	C11	H11	0.8°	0.0°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C13	1.9°	0.0°
C10	C11	C12	H12	178.1°	180.0°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	H13	177.4°	179.9°
C13	C12	C11	H11	178.1°	179.9°
H3	C3	C4	H4	56.8°	54.5°
H3	C3	C4	H4A	63.2°	65.6°
H3A	C3	C4	H4	176.8°	174.9°
H3A	C3	C4	H4A	56.8°	54.9°
H4	C4	C5	H5	167.8°	178.6°
H4A	C4	C5	H5	72.3°	61.4°
H5	C5	C6	H6	177.8°	178.6°
H5	C5	C6	H6A	62.2°	61.3°
H6	C6	C7	H7	167.6°	175.2°
H6	C6	C7	H7A	47.6°	54.6°
H6A	C6	C7	H7	47.6°	55.1°
H6A	C6	C7	H7A	72.4°	65.5°
H11	C11	C12	H12	1.9°	0.0°
H12	C12	C13	H13	2.6°	0.0°

Definition date:	2011-09-13
Last modified:	2011-12-16
Release status:	REL
Processing site:	RCSB
Derived from:	3TP0