9FQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O10	C3	sing	1.43Å	1.45Å
O11	C4	sing	1.43Å	1.44Å
C4	C3	sing	1.53Å	1.51Å
C4	C5	sing	1.53Å	1.52Å
C3	C2	sing	1.53Å	1.55Å
C2	O9	sing	1.43Å	1.42Å
C2	C1	sing	1.53Å	1.53Å
C6	C5	sing	1.53Å	1.53Å
C6	O12	sing	1.43Å	1.43Å
C5	C7	sing	1.52Å	1.52Å
O15	S14	doub	1.42Å	1.44Å
O13	C7	sing	1.43Å	1.46Å
O13	S14	sing	1.52Å	1.55Å
C7	C1	sing	1.54Å	1.51Å
C1	O8	sing	1.46Å	1.46Å
S14	O8	sing	1.54Å	1.56Å
S14	O16	doub	1.42Å	1.42Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
O9	H9	sing	0.97Å	0.95Å
O10	H10	sing	0.97Å	0.95Å
O11	H11	sing	0.97Å	0.95Å
O12	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O10	C3	C4	110.2°	109.7°
O10	C3	C2	106.6°	109.6°
O10	C3	H3	110.4°	109.6°
C3	O10	H10	109.5°	114.0°
O11	C4	C3	109.2°	109.6°
O11	C4	C5	109.2°	109.7°
O11	C4	H4	109.8°	109.8°
C4	O11	H11	109.5°	114.0°
C3	C4	C5	111.2°	108.5°
C4	C3	C2	111.1°	108.8°
C4	C3	H3	109.6°	109.6°
C3	C4	H4	108.8°	109.6°
C4	C5	C6	113.5°	109.2°
C4	C5	C7	110.5°	111.6°
C5	C4	H4	108.6°	109.6°
C4	C5	H5	107.7°	109.2°
C3	C2	O9	111.3°	109.3°
C3	C2	C1	112.5°	110.5°
C3	C2	H2	106.5°	109.2°
C2	C3	H3	109.0°	109.6°
O9	C2	C1	111.6°	109.3°
O9	C2	H2	107.9°	109.3°
C2	O9	H9	109.5°	114.0°
C2	C1	C7	115.0°	111.0°
C2	C1	O8	109.1°	106.6°
C2	C1	H1	109.3°	112.1°
C1	C2	H2	106.7°	109.3°
C5	C6	O12	110.3°	109.5°
C6	C5	C7	109.7°	109.2°
C6	C5	H5	107.6°	109.1°
C5	C6	H6	109.3°	109.5°
C5	C6	H7	109.3°	109.5°
O12	C6	H6	109.3°	109.5°
O12	C6	H7	109.3°	109.5°
C6	O12	H12	109.5°	114.0°
C5	C7	O13	110.8°	112.5°
C5	C7	C1	117.0°	112.4°
C7	C5	H5	107.7°	108.7°
C5	C7	H8	108.8°	109.0°
O15	S14	O13	108.1°	106.7°
O15	S14	O8	109.9°	106.6°
O15	S14	O16	118.4°	123.4°
C7	O13	S14	109.7°	106.5°
O13	C7	C1	101.2°	104.8°
O13	C7	H8	109.7°	108.2°
O13	S14	O8	96.8°	105.2°
O13	S14	O16	113.4°	106.7°
C7	C1	O8	103.5°	102.1°
C7	C1	H1	109.6°	112.2°
C1	C7	H8	109.0°	109.9°
C1	O8	S14	111.9°	103.5°
O8	C1	H1	110.2°	112.4°
O8	S14	O16	108.0°	106.9°
H6	C6	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O10	C3	C4	O11	60.5°	57.6°
O10	C3	C4	C2	117.9°	119.8°
O10	C3	C4	H3	121.6°	120.4°
O10	C3	C4	C5	178.9°	177.3°
O10	C3	C2	H3	119.1°	120.3°
O10	C3	C2	O9	61.9°	58.0°
O10	C3	C2	C1	172.0°	178.3°
O10	C3	C2	H2	55.5°	61.5°
O10	C3	C4	H4	59.3°	63.0°
O11	C4	C3	C5	120.6°	119.7°
O11	C4	C3	H4	119.8°	120.6°
O11	C4	C5	H4	119.7°	120.6°
O11	C4	C3	C2	178.4°	177.5°
O11	C4	C5	C6	58.9°	60.6°
O11	C4	C5	C7	177.5°	178.7°
O11	C4	C3	H3	61.1°	62.7°
O11	C4	C5	H5	60.1°	58.6°
C3	C4	C5	H4	119.8°	119.7°
C4	C3	C2	H3	120.8°	119.8°
C4	C3	C2	O9	178.1°	177.9°
C4	C3	C2	C1	52.0°	61.8°
C3	C4	C5	C6	179.4°	179.7°
C3	C4	C5	C7	56.9°	59.0°
C4	C3	C2	H2	64.5°	58.4°
C3	C4	C5	H5	60.4°	61.1°
C4	C3	O10	H10	180.0°	179.4°
C3	C4	O11	H11	180.0°	60.0°
C5	C4	C3	C2	61.1°	62.8°
C4	C5	C6	C7	124.1°	122.2°
C4	C5	C6	H5	119.1°	119.2°
C4	C5	C6	O12	167.2°	65.0°
C4	C5	C7	H5	117.4°	120.4°
C4	C5	C7	O13	69.1°	64.6°
C4	C5	C7	C1	46.2°	53.4°
C5	C4	C3	H3	59.5°	57.0°
C4	C5	C6	H6	47.1°	55.0°
C4	C5	C6	H7	72.6°	175.0°
C4	C5	C7	H8	170.2°	175.5°
C5	C4	O11	H11	58.2°	179.0°
C3	C2	O9	C1	126.6°	121.0°
C3	C2	O9	H2	116.5°	119.5°
C3	C2	C1	H2	116.4°	120.2°
C3	C2	C1	C7	40.7°	55.2°
C3	C2	C1	O8	156.4°	165.6°
C3	C2	C1	H1	83.0°	71.1°
C2	C3	C4	H4	58.6°	56.9°
C3	C2	O9	H9	180.0°	59.0°
C2	C3	O10	H10	59.4°	60.0°
O9	C2	C1	H2	117.7°	119.5°
O9	C2	C1	C7	166.6°	175.5°
O9	C2	C1	O8	77.7°	74.1°
O9	C2	C1	H1	42.9°	49.2°
O9	C2	C3	H3	57.3°	62.2°
C2	C1	C7	C5	39.1°	50.9°
C2	C1	C7	O13	81.5°	71.5°
C2	C1	C7	O8	118.8°	113.2°
C2	C1	C7	H1	123.6°	126.3°
C2	C1	O8	H1	120.0°	123.2°
C2	C1	O8	S14	101.0°	77.0°
C1	C2	C3	H3	68.8°	58.0°
C2	C1	C7	H8	163.0°	172.5°
C1	C2	O9	H9	53.4°	180.0°
C5	C6	O12	H6	120.1°	120.0°
C5	C6	O12	H7	120.1°	120.0°
C6	C5	C7	H5	116.8°	118.9°
C6	C5	C7	O13	56.8°	56.2°
C6	C5	C7	C1	172.1°	174.1°
C6	C5	C4	H4	60.8°	60.0°
C5	C6	H6	H7	119.6°	120.0°
C6	C5	C7	H8	63.9°	63.8°
C5	C6	O12	H12	180.0°	180.0°
O12	C6	C5	C7	68.7°	172.8°
O12	C6	C5	H5	48.1°	54.2°
O12	C6	H6	H7	119.7°	120.0°
C5	C7	O13	C1	124.8°	122.4°
C5	C7	O13	H8	120.2°	120.5°
C5	C7	O13	S14	166.5°	148.2°
C5	C7	C1	H8	123.9°	121.6°
C5	C7	C1	O8	157.9°	164.2°
C5	C7	C1	H1	84.6°	75.3°
C7	C5	C4	H4	62.8°	60.7°
C7	C5	C6	H6	171.2°	67.2°
C7	C5	C6	H7	51.4°	52.8°
O15	S14	O13	C7	140.9°	114.6°
O15	S14	O13	O8	113.6°	113.0°
O15	S14	O13	O16	133.4°	133.7°
O15	S14	O8	C1	114.3°	88.6°
O15	S14	O8	O16	130.5°	133.8°
O13	C7	C1	H8	115.5°	116.0°
O13	C7	C1	O8	37.4°	41.7°
C7	O13	S14	O8	27.3°	1.6°
C7	O13	S14	O16	85.7°	111.7°
O13	C7	C1	H1	154.9°	162.2°
O13	C7	C5	H5	173.5°	175.0°
S14	O13	C7	C1	41.7°	25.8°
O13	S14	O8	C1	2.2°	24.5°
O13	S14	O8	O16	117.4°	113.2°
S14	O13	C7	H8	73.3°	91.3°
C7	C1	O8	H1	117.1°	120.4°
C7	C1	O8	S14	21.8°	39.5°
C7	C1	C2	H2	75.6°	64.9°
C1	C7	C5	H5	71.2°	67.0°
C1	O8	S14	O16	115.2°	137.7°
O8	C1	C2	H2	40.0°	45.4°
O8	C1	C7	H8	78.2°	74.3°
S14	O8	C1	H1	139.0°	159.9°
H1	C1	C2	H2	160.6°	168.8°
H1	C1	C7	H8	39.4°	46.2°
H2	C2	C3	H3	174.7°	178.2°
H2	C2	O9	H9	63.5°	60.5°
H3	C3	C4	H4	179.1°	176.7°
H3	C3	O10	H10	58.9°	60.2°
H4	C4	C5	H5	179.8°	179.2°
H4	C4	O11	H11	60.8°	60.4°
H5	C5	C6	H6	72.0°	174.2°
H5	C5	C6	H7	168.3°	65.8°
H5	C5	C7	H8	52.9°	55.1°
H6	C6	O12	H12	59.9°	60.0°
H7	C6	O12	H12	59.9°	60.0°

Release date:	2017-08-09
Definition date:	2017-05-17
Last modified:	2017-08-04
Release status:	REL
Processing site:	RCSB
Derived from:	5O0S