SBS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.53Å	1.58Å
C01	NP7	sing	1.47Å	1.48Å
C01	HC11	sing	1.09Å	1.12Å
C01	HC12	sing	1.09Å	1.11Å
C02	C03	sing	1.53Å	1.53Å
C02	C26	sing	1.53Å	1.55Å
C02	HC2	sing	1.09Å	1.12Å
C03	N04	sing	1.46Å	1.53Å
C03	HC31	sing	1.09Å	1.11Å
C03	HC32	sing	1.09Å	1.12Å
N04	C05	sing	1.35Å	1.46Å
N04	HN4	sing	0.97Å	1.02Å
C05	O06	doub	1.22Å	1.24Å
C05	C07	sing	1.48Å	1.42Å
C07	C08	doub	1.40Å	1.43Å	Aromatic
C07	C12	sing	1.39Å	1.43Å	Aromatic
C08	C09	sing	1.38Å	1.43Å	Aromatic
C08	HC8	sing	1.08Å	1.10Å
C09	C10	doub	1.38Å	1.45Å	Aromatic
C09	HC9	sing	1.08Å	1.10Å
C10	C11	sing	1.38Å	1.44Å	Aromatic
C10	S13	sing	1.76Å	1.60Å
C11	C12	doub	1.38Å	1.42Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
C12	H12	sing	1.08Å	1.10Å
S13	O14	doub	1.42Å	1.45Å
S13	O15	doub	1.42Å	1.44Å
S13	NP6	sing	1.66Å	1.54Å
NP6	HN61	sing	0.97Å	1.02Å
NP6	HN62	sing	0.97Å	1.02Å
NP7	C18	sing	1.37Å	1.40Å	Aromatic
NP7	C20	sing	1.38Å	1.37Å	Aromatic
C18	C19	doub	1.34Å	1.51Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C19	C25	sing	1.46Å	1.35Å	Aromatic
C19	H19	sing	1.08Å	1.10Å
C20	C21	doub	1.39Å	1.45Å	Aromatic
C20	C25	sing	1.41Å	1.44Å	Aromatic
C21	C22	sing	1.38Å	1.43Å	Aromatic
C21	H21	sing	1.08Å	1.10Å
C22	C23	doub	1.39Å	1.45Å	Aromatic
C22	H22	sing	1.08Å	1.10Å
C23	C24	sing	1.37Å	1.46Å	Aromatic
C23	H23	sing	1.08Å	1.10Å
C24	C25	doub	1.40Å	1.45Å	Aromatic
C24	H24	sing	1.08Å	1.10Å
C26	H261	sing	1.09Å	1.12Å
C26	H262	sing	1.09Å	1.12Å
C26	H263	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C02	C01	NP7	108.1°	109.5°
C02	C01	HC11	112.7°	109.5°
C02	C01	HC12	112.7°	109.5°
C01	C02	C03	111.4°	109.5°
C01	C02	C26	110.4°	109.5°
C01	C02	HC2	106.9°	109.5°
NP7	C01	HC11	112.7°	109.5°
NP7	C01	HC12	112.7°	109.4°
C01	NP7	C18	124.3°	125.0°
C01	NP7	C20	127.5°	125.1°
HC11	C01	HC12	97.8°	109.5°
C03	C02	C26	107.5°	109.5°
C03	C02	HC2	109.8°	109.5°
C02	C03	N04	106.4°	109.4°
C02	C03	HC31	113.4°	109.5°
C02	C03	HC32	113.4°	109.5°
C26	C02	HC2	110.8°	109.5°
C02	C26	H261	110.4°	109.5°
C02	C26	H262	111.8°	109.5°
C02	C26	H263	111.8°	109.5°
N04	C03	HC31	113.4°	109.5°
N04	C03	HC32	113.3°	109.5°
C03	N04	C05	113.9°	120.0°
C03	N04	HN4	125.2°	120.1°
HC31	C03	HC32	97.1°	109.5°
C05	N04	HN4	120.9°	120.0°
N04	C05	O06	118.2°	120.0°
N04	C05	C07	118.2°	120.0°
O06	C05	C07	123.5°	120.0°
C05	C07	C08	120.8°	120.2°
C05	C07	C12	121.4°	120.1°
C08	C07	C12	117.8°	119.7°
C07	C08	C09	121.3°	119.8°
C07	C08	HC8	119.1°	120.1°
C07	C12	C11	121.5°	119.9°
C07	C12	H12	119.4°	120.1°
C09	C08	HC8	119.6°	120.1°
C08	C09	C10	121.0°	120.2°
C08	C09	HC9	118.8°	119.9°
C10	C09	HC9	120.2°	119.9°
C09	C10	C11	116.7°	120.3°
C09	C10	S13	124.0°	119.9°
C11	C10	S13	119.3°	119.9°
C10	C11	C12	121.7°	120.2°
C10	C11	H11	119.6°	119.9°
C10	S13	O14	108.9°	105.8°
C10	S13	O15	108.4°	105.8°
C10	S13	NP6	113.6°	107.4°
C12	C11	H11	118.7°	119.9°
C11	C12	H12	119.1°	120.1°
O14	S13	O15	109.1°	125.3°
O14	S13	NP6	110.8°	105.8°
O15	S13	NP6	105.9°	105.7°
S13	NP6	HN61	113.6°	120.0°
S13	NP6	HN62	110.7°	120.0°
HN61	NP6	HN62	110.7°	120.1°
C18	NP7	C20	108.2°	109.9°
NP7	C18	C19	107.4°	109.9°
NP7	C18	H18	123.5°	125.1°
NP7	C20	C21	130.6°	133.5°
NP7	C20	C25	108.9°	107.2°
C19	C18	H18	129.0°	125.0°
C18	C19	C25	105.2°	107.0°
C18	C19	H19	131.4°	126.5°
C25	C19	H19	123.4°	126.5°
C19	C25	C20	110.3°	106.0°
C19	C25	C24	130.2°	134.0°
C21	C20	C25	120.4°	119.3°
C20	C21	C22	120.3°	119.8°
C20	C21	H21	120.7°	120.1°
C20	C25	C24	119.5°	119.9°
C22	C21	H21	118.9°	120.1°
C21	C22	C23	119.9°	120.7°
C21	C22	H22	119.4°	119.7°
C23	C22	H22	120.7°	119.6°
C22	C23	C24	120.0°	120.5°
C22	C23	H23	119.6°	119.7°
C24	C23	H23	120.3°	119.7°
C23	C24	C25	119.8°	119.8°
C23	C24	H24	120.4°	120.1°
C25	C24	H24	119.9°	120.1°
H261	C26	H262	111.9°	109.4°
H261	C26	H263	111.9°	109.4°
H262	C26	H263	98.6°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C02	C01	NP7	HC11	125.2°	120.0°
C02	C01	NP7	HC12	125.3°	120.0°
C02	C01	HC11	HC12	118.6°	120.0°
C01	C02	C03	C26	121.1°	120.0°
C01	C02	C03	HC2	118.2°	120.0°
C01	C02	C26	HC2	118.2°	120.0°
C01	C02	C03	N04	167.1°	180.0°
C01	C02	C03	HC31	67.6°	60.0°
C01	C02	C03	HC32	41.9°	60.0°
C02	C01	NP7	C18	86.1°	90.0°
C02	C01	NP7	C20	93.9°	90.3°
C01	C02	C26	H261	180.0°	60.0°
C01	C02	C26	H262	54.8°	180.0°
C01	C02	C26	H263	54.7°	60.0°
NP7	C01	HC11	HC12	118.6°	120.0°
NP7	C01	C02	C03	178.1°	180.0°
NP7	C01	C02	C26	62.5°	60.0°
NP7	C01	C02	HC2	58.1°	60.0°
C01	NP7	C18	C20	180.0°	179.8°
C01	NP7	C18	C19	179.8°	179.9°
C01	NP7	C18	H18	0.2°	0.0°
C01	NP7	C20	C21	0.1°	0.7°
C01	NP7	C20	C25	179.7°	179.9°
HC11	C01	C02	C03	52.9°	60.0°
HC11	C01	C02	C26	172.3°	180.0°
HC11	C01	C02	HC2	67.1°	60.0°
HC11	C01	NP7	C18	39.2°	30.0°
HC11	C01	NP7	C20	140.9°	149.7°
HC12	C01	C02	C03	56.6°	60.0°
HC12	C01	C02	C26	62.8°	60.0°
HC12	C01	C02	HC2	176.6°	180.0°
HC12	C01	NP7	C18	148.6°	150.0°
HC12	C01	NP7	C20	31.4°	29.7°
C03	C02	C26	HC2	120.0°	120.0°
C02	C03	N04	HC31	125.3°	119.9°
C02	C03	N04	HC32	125.3°	120.0°
C02	C03	HC31	HC32	119.3°	120.0°
C02	C03	N04	C05	130.0°	179.9°
C02	C03	N04	HN4	50.1°	0.0°
C03	C02	C26	H261	58.3°	60.0°
C03	C02	C26	H262	176.5°	60.0°
C03	C02	C26	H263	67.0°	180.0°
C26	C02	C03	N04	71.8°	60.0°
C26	C02	C03	HC31	53.5°	60.0°
C26	C02	C03	HC32	163.0°	180.0°
C02	C26	H261	H262	125.2°	120.0°
C02	C26	H261	H263	125.2°	120.0°
C02	C26	H262	H263	117.7°	120.1°
HC2	C02	C03	N04	48.9°	60.0°
HC2	C02	C03	HC31	174.2°	180.0°
HC2	C02	C03	HC32	76.3°	60.0°
HC2	C02	C26	H261	61.7°	180.0°
HC2	C02	C26	H262	63.5°	60.0°
HC2	C02	C26	H263	173.0°	60.0°
N04	C03	HC31	HC32	119.3°	120.0°
C03	N04	C05	HN4	179.9°	179.9°
C03	N04	C05	O06	0.5°	0.1°
C03	N04	C05	C07	179.4°	180.0°
HC31	C03	N04	C05	4.7°	60.1°
HC31	C03	N04	HN4	175.4°	120.0°
HC32	C03	N04	C05	104.8°	59.9°
HC32	C03	N04	HN4	75.2°	120.0°
N04	C05	O06	C07	179.9°	179.9°
N04	C05	C07	C08	0.0°	179.9°
N04	C05	C07	C12	179.6°	0.4°
HN4	N04	C05	O06	179.4°	180.0°
HN4	N04	C05	C07	0.7°	0.1°
O06	C05	C07	C08	179.9°	0.1°
O06	C05	C07	C12	0.2°	179.8°
C05	C07	C08	C12	179.7°	179.7°
C05	C07	C08	C09	179.5°	180.0°
C05	C07	C08	HC8	0.5°	0.1°
C05	C07	C12	C11	179.3°	179.8°
C05	C07	C12	H12	0.7°	0.3°
C07	C08	C09	HC8	180.0°	179.9°
C07	C08	C09	C10	0.1°	0.0°
C07	C08	C09	HC9	179.9°	180.0°
C08	C07	C12	C11	0.4°	0.5°
C08	C07	C12	H12	179.6°	180.0°
C12	C07	C08	C09	0.2°	0.3°
C12	C07	C08	HC8	179.8°	179.8°
C07	C12	C11	C10	0.2°	0.5°
C07	C12	C11	H12	180.0°	179.5°
C07	C12	C11	H11	179.8°	179.7°
C08	C09	C10	HC9	180.0°	179.9°
C08	C09	C10	C11	0.2°	0.1°
C08	C09	C10	S13	178.8°	180.0°
HC8	C08	C09	C10	179.9°	180.0°
HC8	C08	C09	HC9	0.1°	0.1°
C09	C10	C11	S13	179.1°	179.9°
C09	C10	C11	C12	0.1°	0.3°
C09	C10	C11	H11	179.9°	180.0°
C09	C10	S13	O14	75.3°	157.4°
C09	C10	S13	O15	166.1°	22.6°
C09	C10	S13	NP6	48.7°	90.0°
HC9	C09	C10	C11	179.7°	180.0°
HC9	C09	C10	S13	1.2°	0.1°
C10	C11	C12	H11	180.0°	179.7°
C10	C11	C12	H12	179.7°	180.0°
C11	C10	S13	O14	103.7°	22.6°
C11	C10	S13	O15	14.9°	157.3°
C11	C10	S13	NP6	132.3°	90.1°
S13	C10	C11	C12	179.0°	179.8°
S13	C10	C11	H11	1.0°	0.1°
C10	S13	O14	O15	118.1°	123.2°
C10	S13	O14	NP6	125.6°	113.7°
C10	S13	O15	NP6	122.2°	113.7°
C10	S13	NP6	HN61	180.0°	180.0°
C10	S13	NP6	HN62	54.7°	0.0°
H11	C11	C12	H12	0.3°	0.2°
O14	S13	O15	NP6	119.3°	123.1°
O14	S13	NP6	HN61	57.0°	67.4°
O14	S13	NP6	HN62	68.3°	112.6°
O15	S13	NP6	HN61	61.2°	67.4°
O15	S13	NP6	HN62	173.5°	112.7°
S13	NP6	HN61	HN62	125.3°	180.0°
NP7	C18	C19	H18	180.0°	180.0°
NP7	C18	C19	C25	0.1°	0.0°
NP7	C18	C19	H19	179.9°	180.0°
C18	NP7	C20	C21	179.9°	179.6°
C18	NP7	C20	C25	0.3°	0.3°
C20	NP7	C18	C19	0.1°	0.2°
C20	NP7	C18	H18	179.9°	179.8°
NP7	C20	C25	C19	0.4°	0.3°
NP7	C20	C21	C25	179.8°	179.2°
NP7	C20	C21	C22	179.4°	179.7°
NP7	C20	C21	H21	0.6°	0.6°
NP7	C20	C25	C24	179.5°	179.8°
C18	C19	C25	H19	180.0°	179.9°
C18	C19	C25	C20	0.3°	0.2°
C18	C19	C25	C24	179.5°	180.0°
H18	C18	C19	C25	179.9°	180.0°
H18	C18	C19	H19	0.1°	0.1°
C19	C25	C20	C21	179.8°	179.7°
C19	C25	C20	C24	179.8°	179.8°
C19	C25	C24	C23	179.9°	180.0°
C19	C25	C24	H24	0.2°	0.1°
H19	C19	C25	C20	179.7°	179.8°
H19	C19	C25	C24	0.5°	0.1°
C20	C21	C22	H21	180.0°	179.8°
C20	C21	C22	C23	0.0°	0.3°
C20	C21	C22	H22	180.0°	179.8°
C21	C20	C25	C24	0.3°	0.5°
C25	C20	C21	C22	0.3°	0.5°
C25	C20	C21	H21	179.7°	179.8°
C20	C25	C24	C23	0.1°	0.2°
C20	C25	C24	H24	179.9°	179.8°
C21	C22	C23	H22	180.0°	179.9°
C21	C22	C23	C24	0.2°	0.0°
C21	C22	C23	H23	179.8°	180.0°
H21	C21	C22	C23	180.0°	180.0°
H21	C21	C22	H22	0.0°	0.0°
C22	C23	C24	H23	180.0°	180.0°
C22	C23	C24	C25	0.2°	0.0°
C22	C23	C24	H24	179.8°	180.0°
H22	C22	C23	C24	179.8°	180.0°
H22	C22	C23	H23	0.3°	0.1°
C23	C24	C25	H24	180.0°	179.9°
H23	C23	C24	C25	179.8°	180.0°
H23	C23	C24	H24	0.2°	0.1°
H261	C26	H262	H263	117.9°	119.9°

Definition date:	2001-04-13
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1IF8