SMS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S2	N1	sing	1.66Å	1.57Å
S2	O10	doub	1.42Å	1.40Å
S2	O9	doub	1.42Å	1.39Å
S2	O8	sing	1.52Å	1.57Å
N1	HN11	sing	0.97Å	1.02Å
N1	HN12	sing	0.97Å	1.02Å
O8	C1	sing	1.43Å	1.45Å
C1	C2	sing	1.53Å	1.54Å
C1	HC11	sing	1.09Å	1.11Å
C1	HC12	sing	1.09Å	1.11Å
C2	C3	sing	1.54Å	1.57Å
C2	O3	sing	1.40Å	1.43Å
C2	O1	sing	1.43Å	1.41Å
C3	C4	sing	1.53Å	1.54Å
C3	O2	sing	1.45Å	1.42Å
C3	HC3	sing	1.09Å	1.12Å
C4	C5	sing	1.54Å	1.58Å
C4	O4	sing	1.45Å	1.42Å
C4	HC4	sing	1.09Å	1.12Å
C5	C6	sing	1.52Å	1.51Å
C5	O5	sing	1.46Å	1.43Å
C5	HC5	sing	1.09Å	1.12Å
C6	O3	sing	1.42Å	1.46Å
C6	HC61	sing	1.09Å	1.11Å
C6	HC62	sing	1.09Å	1.12Å
O5	S1	sing	1.53Å	1.52Å
S1	O7	doub	1.42Å	1.38Å
S1	O6	doub	1.42Å	1.42Å
S1	O4	sing	1.54Å	1.57Å
O2	C7	sing	1.43Å	1.42Å
C7	C9	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.51Å
C7	O1	sing	1.44Å	1.47Å
C9	HC91	sing	1.09Å	1.11Å
C9	HC92	sing	1.09Å	1.12Å
C9	HC93	sing	1.09Å	1.11Å
C8	HC81	sing	1.09Å	1.11Å
C8	HC82	sing	1.09Å	1.11Å
C8	HC83	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	S2	O10	111.3°	105.8°
N1	S2	O9	105.3°	105.8°
N1	S2	O8	101.2°	107.5°
S2	N1	HN11	111.3°	120.0°
S2	N1	HN12	111.5°	120.0°
O10	S2	O9	117.2°	125.3°
O10	S2	O8	108.6°	105.8°
O9	S2	O8	112.0°	105.7°
S2	O8	C1	119.6°	106.9°
HN11	N1	HN12	111.5°	120.0°
O8	C1	C2	105.6°	109.6°
O8	C1	HC11	113.7°	109.4°
O8	C1	HC12	113.7°	109.5°
C2	C1	HC11	113.7°	109.5°
C2	C1	HC12	113.6°	109.4°
C1	C2	C3	118.9°	109.6°
C1	C2	O3	102.1°	109.0°
C1	C2	O1	108.9°	108.3°
HC11	C1	HC12	96.9°	109.4°
C3	C2	O3	113.0°	114.2°
C3	C2	O1	102.5°	102.5°
C2	C3	C4	112.2°	112.1°
C2	C3	O2	104.2°	101.6°
C2	C3	HC3	110.3°	112.2°
O3	C2	O1	111.5°	113.0°
C2	O3	C6	114.4°	109.8°
C2	O1	C7	111.7°	104.0°
C4	C3	O2	106.4°	106.1°
C4	C3	HC3	108.1°	112.0°
C3	C4	C5	114.4°	111.0°
C3	C4	O4	110.1°	106.9°
C3	C4	HC4	104.1°	111.6°
O2	C3	HC3	115.7°	112.3°
C3	O2	C7	107.8°	106.8°
C5	C4	O4	104.3°	103.5°
C5	C4	HC4	109.9°	111.6°
C4	C5	C6	112.5°	111.4°
C4	C5	O5	105.3°	104.3°
C4	C5	HC5	109.5°	109.9°
O4	C4	HC4	114.3°	111.7°
C4	O4	S1	111.7°	103.5°
C6	C5	O5	107.2°	111.6°
C6	C5	HC5	107.7°	109.8°
C5	C6	O3	109.9°	109.7°
C5	C6	HC61	112.0°	109.4°
C5	C6	HC62	112.0°	109.5°
O5	C5	HC5	114.7°	109.7°
C5	O5	S1	114.1°	106.0°
O3	C6	HC61	112.1°	109.5°
O3	C6	HC62	112.1°	109.4°
HC61	C6	HC62	98.4°	109.4°
O5	S1	O7	108.2°	106.0°
O5	S1	O6	109.7°	106.0°
O5	S1	O4	99.1°	105.6°
O7	S1	O6	115.8°	125.8°
O7	S1	O4	112.1°	106.0°
O6	S1	O4	110.6°	105.9°
O2	C7	C9	112.5°	109.6°
O2	C7	C8	107.8°	109.6°
O2	C7	O1	103.0°	108.6°
C9	C7	C8	111.4°	109.6°
C9	C7	O1	111.9°	109.7°
C7	C9	HC91	112.5°	109.5°
C7	C9	HC92	111.1°	109.5°
C7	C9	HC93	111.1°	109.4°
C8	C7	O1	109.8°	109.7°
C7	C8	HC81	107.9°	109.4°
C7	C8	HC82	112.8°	109.5°
C7	C8	HC83	112.8°	109.4°
HC91	C9	HC92	111.0°	109.4°
HC91	C9	HC93	111.1°	109.5°
HC92	C9	HC93	99.2°	109.5°
HC81	C8	HC82	112.9°	109.5°
HC81	C8	HC83	112.8°	109.5°
HC82	C8	HC83	97.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	S2	O10	O9	121.3°	123.1°
N1	S2	O10	O8	110.6°	113.8°
N1	S2	O9	O8	109.2°	113.8°
S2	N1	HN11	HN12	125.2°	179.9°
N1	S2	O8	C1	177.8°	89.9°
O10	S2	O9	O8	126.4°	123.1°
O10	S2	N1	HN11	180.0°	67.4°
O10	S2	N1	HN12	54.8°	112.7°
O10	S2	O8	C1	60.6°	157.4°
O9	S2	N1	HN11	52.1°	67.3°
O9	S2	N1	HN12	177.3°	112.6°
O9	S2	O8	C1	70.4°	22.7°
O8	S2	N1	HN11	64.8°	180.0°
O8	S2	N1	HN12	60.4°	0.0°
S2	O8	C1	C2	177.5°	179.9°
S2	O8	C1	HC11	52.3°	60.0°
S2	O8	C1	HC12	57.3°	59.9°
O8	C1	C2	HC11	125.3°	120.0°
O8	C1	C2	HC12	125.2°	120.1°
O8	C1	HC11	HC12	119.6°	119.9°
O8	C1	C2	C3	58.0°	167.5°
O8	C1	C2	O3	176.9°	66.9°
O8	C1	C2	O1	58.8°	56.4°
C2	C1	HC11	HC12	119.6°	119.9°
C1	C2	C3	O3	119.7°	122.6°
C1	C2	C3	O1	120.1°	114.9°
C1	C2	O3	O1	116.2°	120.5°
C1	C2	C3	C4	106.4°	171.3°
C1	C2	C3	O2	138.9°	75.8°
C1	C2	C3	HC3	14.2°	44.3°
C1	C2	O3	C6	173.5°	175.8°
C1	C2	O1	C7	126.1°	77.6°
HC11	C1	C2	C3	176.8°	47.4°
HC11	C1	C2	O3	51.6°	173.1°
HC11	C1	C2	O1	66.4°	63.6°
HC12	C1	C2	C3	67.3°	72.5°
HC12	C1	C2	O3	57.9°	53.2°
HC12	C1	C2	O1	175.9°	176.5°
C3	C2	O3	O1	114.8°	116.6°
C2	C3	C4	O2	113.3°	110.0°
C2	C3	C4	HC3	121.8°	127.2°
C2	C3	O2	HC3	121.2°	120.0°
C2	C3	C4	C5	45.9°	40.6°
C2	C3	C4	O4	71.2°	152.9°
C2	C3	C4	HC4	165.9°	84.6°
C3	C2	O3	C6	44.5°	61.3°
C2	C3	O2	C7	32.2°	24.7°
C3	C2	O1	C7	0.7°	38.2°
O3	C2	C3	C4	13.3°	48.7°
O3	C2	C3	O2	101.4°	161.5°
O3	C2	C3	HC3	133.9°	78.4°
C2	O3	C6	C5	69.8°	66.1°
C2	O3	C6	HC61	164.9°	173.9°
C2	O3	C6	HC62	55.4°	54.1°
O3	C2	O1	C7	121.9°	161.5°
O1	C2	C3	C4	133.4°	73.8°
O1	C2	C3	O2	18.7°	39.0°
O1	C2	C3	HC3	106.0°	159.1°
O1	C2	O3	C6	70.4°	55.3°
C2	O1	C7	O2	19.7°	23.6°
C2	O1	C7	C9	101.4°	143.4°
C2	O1	C7	C8	134.4°	96.2°
C4	C3	O2	HC3	120.1°	122.7°
C3	C4	C5	O4	120.4°	114.4°
C3	C4	C5	HC4	116.7°	125.2°
C3	C4	O4	HC4	116.7°	122.4°
C3	C4	C5	C6	22.5°	46.9°
C3	C4	C5	O5	139.0°	73.6°
C3	C4	C5	HC5	97.2°	168.8°
C3	C4	O4	S1	147.7°	78.3°
C4	C3	O2	C7	151.0°	92.6°
O2	C3	C4	C5	67.4°	150.6°
O2	C3	C4	O4	175.5°	97.1°
O2	C3	C4	HC4	52.6°	25.4°
C3	O2	C7	C9	88.4°	117.9°
C3	O2	C7	C8	148.3°	121.8°
C3	O2	C7	O1	32.3°	2.0°
HC3	C3	C4	C5	167.8°	86.5°
HC3	C3	C4	O4	50.7°	25.8°
HC3	C3	C4	HC4	72.2°	148.2°
HC3	C3	O2	C7	89.0°	144.8°
C5	C4	O4	HC4	120.1°	120.3°
C4	C5	C6	O5	115.3°	116.1°
C4	C5	C6	HC5	120.8°	122.0°
C4	C5	O5	HC5	120.4°	117.7°
C4	C5	C6	O3	31.8°	59.6°
C4	C5	C6	HC61	157.1°	179.7°
C4	C5	C6	HC62	93.5°	60.5°
C4	C5	O5	S1	6.3°	24.6°
C5	C4	O4	S1	24.5°	39.1°
O4	C4	C5	C6	97.8°	161.3°
O4	C4	C5	O5	18.7°	40.8°
O4	C4	C5	HC5	142.4°	76.8°
C4	O4	S1	O5	20.2°	24.2°
C4	O4	S1	O7	93.7°	88.0°
C4	O4	S1	O6	135.3°	136.4°
HC4	C4	C5	C6	139.3°	78.3°
HC4	C4	C5	O5	104.2°	161.1°
HC4	C4	C5	HC5	19.5°	43.6°
HC4	C4	O4	S1	95.5°	159.4°
C6	C5	O5	HC5	119.5°	121.9°
C5	C6	O3	HC61	125.3°	120.0°
C5	C6	O3	HC62	125.2°	120.2°
C5	C6	HC61	HC62	117.9°	119.9°
C6	C5	O5	S1	113.8°	145.1°
O5	C5	C6	O3	83.6°	56.5°
O5	C5	C6	HC61	41.8°	63.6°
O5	C5	C6	HC62	151.2°	176.6°
C5	O5	S1	O7	109.7°	113.3°
C5	O5	S1	O6	123.1°	111.0°
C5	O5	S1	O4	7.2°	1.1°
HC5	C5	C6	O3	152.5°	178.4°
HC5	C5	C6	HC61	82.1°	58.3°
HC5	C5	C6	HC62	27.3°	61.5°
HC5	C5	O5	S1	126.7°	93.0°
O3	C6	HC61	HC62	118.0°	119.9°
O5	S1	O7	O6	123.5°	124.1°
O5	S1	O7	O4	108.2°	111.9°
O5	S1	O6	O4	108.3°	111.9°
O7	S1	O6	O4	129.0°	124.0°
O2	C7	C9	C8	121.2°	120.4°
O2	C7	C9	O1	115.4°	119.2°
O2	C7	C8	O1	111.5°	119.2°
O2	C7	C9	HC91	180.0°	61.1°
O2	C7	C9	HC92	54.8°	178.9°
O2	C7	C9	HC93	54.7°	58.9°
O2	C7	C8	HC81	180.0°	162.7°
O2	C7	C8	HC82	54.7°	77.2°
O2	C7	C8	HC83	54.7°	42.8°
C9	C7	C8	O1	124.5°	120.5°
C7	C9	HC91	HC92	125.2°	120.0°
C7	C9	HC91	HC93	125.3°	120.0°
C7	C9	HC92	HC93	117.0°	119.9°
C9	C7	C8	HC81	56.0°	76.9°
C9	C7	C8	HC82	178.6°	43.1°
C9	C7	C8	HC83	69.2°	163.1°
C8	C7	C9	HC91	58.7°	59.2°
C8	C7	C9	HC92	66.5°	60.8°
C8	C7	C9	HC93	175.9°	179.3°
C7	C8	HC81	HC82	125.3°	120.0°
C7	C8	HC81	HC83	125.2°	119.9°
C7	C8	HC82	HC83	118.7°	120.0°
O1	C7	C9	HC91	64.6°	179.7°
O1	C7	C9	HC92	170.2°	59.7°
O1	C7	C9	HC93	60.7°	60.2°
O1	C7	C8	HC81	68.5°	43.6°
O1	C7	C8	HC82	56.8°	163.6°
O1	C7	C8	HC83	166.3°	76.4°
HC91	C9	HC92	HC93	117.0°	120.0°
HC81	C8	HC82	HC83	118.7°	120.0°

Definition date:	2000-04-12
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1EOU