OSP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	S2	doub	1.42Å	1.44Å
S2	C7	sing	1.82Å	1.66Å
S2	O4	doub	1.42Å	1.44Å
S2	N2	sing	1.66Å	1.55Å
C7	C8	sing	1.53Å	1.53Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C8	C9	sing	1.53Å	1.53Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C9	C10	sing	1.53Å	1.52Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C10	N2	sing	1.47Å	1.46Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
N2	C4	sing	1.40Å	1.41Å
C4	C3	doub	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.39Å	1.40Å	Aromatic
C3	C2	sing	1.38Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C2	C1	doub	1.38Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C5	C6	doub	1.38Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C1	sing	1.38Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C1	S1	sing	1.76Å	1.63Å
S1	N1	sing	1.66Å	1.59Å
S1	O1	doub	1.42Å	1.44Å
S1	O2	doub	1.42Å	1.44Å
N1	HN11	sing	0.97Å	1.00Å
N1	HN12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	S2	C7	112.6°	110.8°
O3	S2	O4	105.4°	121.3°
O3	S2	N2	112.7°	104.5°
C7	S2	O4	108.1°	110.7°
C7	S2	N2	110.0°	102.9°
S2	C7	C8	111.0°	108.4°
S2	C7	H71	109.0°	109.7°
S2	C7	H72	108.6°	109.6°
O4	S2	N2	107.7°	104.6°
S2	N2	C10	120.5°	118.0°
S2	N2	C4	121.7°	120.9°
C8	C7	H71	108.9°	109.7°
C8	C7	H72	108.6°	109.7°
C7	C8	C9	113.7°	109.8°
C7	C8	H81	108.1°	109.4°
C7	C8	H82	107.2°	109.5°
H71	C7	H72	110.7°	109.7°
C9	C8	H81	108.1°	109.4°
C9	C8	H82	107.1°	109.5°
C8	C9	C10	112.8°	110.6°
C8	C9	H91	108.4°	109.2°
C8	C9	H92	107.6°	109.3°
H81	C8	H82	112.8°	109.3°
C10	C9	H91	108.4°	109.2°
C10	C9	H92	107.6°	109.3°
C9	C10	N2	106.0°	109.5°
C9	C10	H101	110.6°	109.5°
C9	C10	H102	111.4°	109.5°
H91	C9	H92	112.1°	109.2°
N2	C10	H101	110.6°	109.4°
N2	C10	H102	111.4°	109.5°
C10	N2	C4	117.7°	121.0°
H101	C10	H102	106.9°	109.4°
N2	C4	C3	118.1°	120.0°
N2	C4	C5	122.4°	120.1°
C3	C4	C5	119.4°	119.9°
C4	C3	C2	120.1°	119.9°
C4	C3	H3	120.0°	120.1°
C4	C5	C6	120.4°	119.9°
C4	C5	H5	119.8°	120.0°
C2	C3	H3	119.9°	120.0°
C3	C2	C1	121.0°	120.1°
C3	C2	H2	119.5°	120.0°
C1	C2	H2	119.4°	119.9°
C2	C1	C6	118.3°	120.1°
C2	C1	S1	119.8°	120.0°
C6	C5	H5	119.8°	120.0°
C5	C6	C1	120.7°	120.1°
C5	C6	H6	119.7°	119.9°
C1	C6	H6	119.7°	120.0°
C6	C1	S1	121.9°	119.9°
C1	S1	N1	107.8°	107.2°
C1	S1	O1	109.9°	106.4°
C1	S1	O2	108.9°	106.4°
N1	S1	O1	109.4°	106.4°
N1	S1	O2	109.9°	106.4°
S1	N1	HN11	109.5°	120.0°
S1	N1	HN12	109.5°	120.0°
O1	S1	O2	110.8°	123.1°
HN11	N1	HN12	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	S2	C7	O4	116.0°	137.5°
O3	S2	C7	N2	126.6°	111.2°
O3	S2	O4	N2	120.6°	117.5°
O3	S2	C7	C8	174.4°	62.7°
O3	S2	C7	H71	65.6°	177.5°
O3	S2	C7	H72	55.0°	57.0°
O3	S2	N2	C10	150.1°	67.2°
O3	S2	N2	C4	33.8°	112.8°
C7	S2	O4	N2	118.8°	110.2°
S2	C7	C8	H71	120.0°	119.8°
S2	C7	C8	H72	119.3°	119.7°
S2	C7	H71	H72	119.4°	120.5°
S2	C7	C8	C9	14.9°	61.8°
S2	C7	C8	H81	105.1°	178.1°
S2	C7	C8	H82	133.1°	58.3°
C7	S2	N2	C10	23.5°	48.6°
C7	S2	N2	C4	160.3°	131.4°
O4	S2	C7	C8	69.6°	159.9°
O4	S2	C7	H71	50.4°	40.1°
O4	S2	C7	H72	171.0°	80.5°
O4	S2	N2	C10	94.1°	164.3°
O4	S2	N2	C4	82.1°	15.6°
N2	S2	C7	C8	47.7°	48.6°
N2	S2	C7	H71	167.7°	71.2°
N2	S2	C7	H72	71.6°	168.2°
S2	N2	C10	C9	31.4°	57.5°
S2	N2	C10	C4	176.3°	179.9°
S2	N2	C10	H101	151.4°	177.5°
S2	N2	C10	H102	89.9°	62.6°
S2	N2	C4	C3	87.1°	155.0°
S2	N2	C4	C5	92.6°	25.3°
C8	C7	H71	H72	119.4°	120.5°
C7	C8	C9	H81	120.0°	120.1°
C7	C8	C9	H82	118.2°	120.2°
C7	C8	H81	H82	118.3°	119.9°
C7	C8	C9	C10	43.8°	70.3°
C7	C8	C9	H91	76.2°	50.0°
C7	C8	C9	H92	162.4°	169.4°
H71	C7	C8	C9	134.9°	58.0°
H71	C7	C8	H81	14.9°	62.1°
H71	C7	C8	H82	106.9°	178.1°
H72	C7	C8	C9	104.4°	178.5°
H72	C7	C8	H81	135.6°	58.5°
H72	C7	C8	H82	13.7°	61.3°
C9	C8	H81	H82	118.3°	119.8°
C8	C9	C10	H91	120.0°	120.3°
C8	C9	C10	H92	118.6°	120.3°
C8	C9	H91	H92	118.6°	119.5°
C8	C9	C10	N2	68.9°	64.3°
C8	C9	C10	H101	171.1°	175.7°
C8	C9	C10	H102	52.3°	55.8°
H81	C8	C9	C10	163.8°	169.6°
H81	C8	C9	H91	43.8°	70.1°
H81	C8	C9	H92	77.6°	49.3°
H82	C8	C9	C10	74.3°	49.9°
H82	C8	C9	H91	165.6°	170.2°
H82	C8	C9	H92	44.2°	70.4°
C10	C9	H91	H92	118.6°	119.4°
C9	C10	N2	H101	120.0°	120.1°
C9	C10	N2	H102	121.3°	120.0°
C9	C10	H101	H102	121.4°	120.0°
C9	C10	N2	C4	144.9°	122.5°
H91	C9	C10	N2	51.1°	56.0°
H91	C9	C10	H101	68.9°	64.1°
H91	C9	C10	H102	172.4°	176.0°
H92	C9	C10	N2	172.5°	175.4°
H92	C9	C10	H101	52.5°	55.4°
H92	C9	C10	H102	66.2°	64.6°
N2	C10	H101	H102	121.4°	119.9°
C10	N2	C4	C3	89.2°	24.9°
C10	N2	C4	C5	91.2°	154.8°
H101	C10	N2	C4	24.9°	2.4°
H102	C10	N2	C4	93.8°	117.5°
N2	C4	C3	C5	179.6°	179.7°
N2	C4	C3	C2	179.3°	180.0°
N2	C4	C3	H3	0.7°	0.1°
N2	C4	C5	C6	179.6°	180.0°
N2	C4	C5	H5	0.4°	0.0°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	C1	0.9°	0.0°
C4	C3	C2	H2	179.1°	180.0°
C3	C4	C5	C6	0.8°	0.3°
C3	C4	C5	H5	179.2°	179.7°
C5	C4	C3	C2	1.0°	0.3°
C5	C4	C3	H3	179.0°	179.7°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C1	0.5°	0.0°
C4	C5	C6	H6	179.5°	180.0°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	C6	0.6°	0.3°
C3	C2	C1	S1	179.0°	180.0°
H3	C3	C2	C1	179.1°	180.0°
H3	C3	C2	H2	0.9°	0.1°
C2	C1	C6	C5	0.4°	0.3°
C2	C1	C6	S1	179.6°	179.7°
C2	C1	C6	H6	179.6°	179.7°
C2	C1	S1	N1	38.3°	90.0°
C2	C1	S1	O1	157.5°	156.4°
C2	C1	S1	O2	80.9°	23.5°
H2	C2	C1	C6	179.4°	179.7°
H2	C2	C1	S1	1.0°	0.0°
C5	C6	C1	H6	180.0°	179.9°
C5	C6	C1	S1	179.3°	180.0°
H5	C5	C6	C1	179.5°	180.0°
H5	C5	C6	H6	0.5°	0.0°
C6	C1	S1	N1	141.4°	89.7°
C6	C1	S1	O1	22.2°	23.8°
C6	C1	S1	O2	99.4°	156.7°
H6	C6	C1	S1	0.7°	0.1°
C1	S1	N1	O1	119.5°	113.6°
C1	S1	N1	O2	118.6°	113.5°
C1	S1	O1	O2	120.5°	122.9°
C1	S1	N1	HN11	27.9°	0.1°
C1	S1	N1	HN12	92.1°	180.0°
N1	S1	O1	O2	121.3°	123.0°
S1	N1	HN11	HN12	120.0°	179.9°
O1	S1	N1	HN11	91.6°	113.5°
O1	S1	N1	HN12	148.4°	66.4°
O2	S1	N1	HN11	146.5°	113.6°
O2	S1	N1	HN12	26.5°	66.5°

Definition date:	2007-06-21
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB