NGT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.52Å	1.56Å
C1	S1	sing	1.82Å	1.86Å
C1	O5	sing	1.37Å	1.40Å
C1	HC1	sing	1.09Å	1.11Å
C2	C3	sing	1.52Å	1.57Å
C2	N2	sing	1.46Å	1.46Å
C2	HC2	sing	1.09Å	1.11Å
C3	C4	sing	1.52Å	1.54Å
C3	O3	sing	1.43Å	1.42Å
C3	HC3	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.54Å
C4	O4	sing	1.43Å	1.42Å
C4	HC4	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.53Å
C5	O5	sing	1.42Å	1.48Å
C5	HC5	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.43Å
C6	HC61	sing	1.09Å	1.12Å
C6	HC62	sing	1.09Å	1.11Å
C7	C8	sing	1.51Å	1.51Å
C7	N2	doub	1.29Å	1.26Å
C7	S1	sing	1.79Å	1.77Å
C8	HC81	sing	1.09Å	1.12Å
C8	HC82	sing	1.09Å	1.11Å
C8	HC83	sing	1.09Å	1.12Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	S1	102.2°	100.1°
C2	C1	O5	117.9°	121.4°
C2	C1	HC1	110.1°	105.9°
C1	C2	C3	111.6°	114.0°
C1	C2	N2	107.7°	110.9°
C1	C2	HC2	109.2°	107.9°
S1	C1	O5	112.6°	113.4°
S1	C1	HC1	115.6°	106.6°
C1	S1	C7	88.6°	97.7°
O5	C1	HC1	99.0°	108.3°
C1	O5	C5	116.8°	112.2°
C3	C2	N2	109.3°	108.3°
C3	C2	HC2	107.6°	107.8°
C2	C3	C4	112.8°	111.9°
C2	C3	O3	109.7°	109.1°
C2	C3	HC3	107.3°	109.0°
N2	C2	HC2	111.5°	107.7°
C2	N2	C7	114.1°	121.5°
C4	C3	O3	110.4°	108.9°
C4	C3	HC3	106.6°	108.9°
C3	C4	C5	110.2°	107.6°
C3	C4	O4	109.1°	109.9°
C3	C4	HC4	109.5°	109.8°
O3	C3	HC3	109.9°	109.0°
C3	O3	HO3	109.7°	106.9°
C5	C4	O4	110.2°	109.9°
C5	C4	HC4	108.3°	109.8°
C4	C5	C6	113.9°	109.8°
C4	C5	O5	110.1°	107.8°
C4	C5	HC5	105.4°	109.7°
O4	C4	HC4	109.5°	109.8°
C4	O4	HO4	109.1°	106.8°
C6	C5	O5	107.6°	109.8°
C6	C5	HC5	108.0°	109.8°
C5	C6	O6	110.8°	109.5°
C5	C6	HC61	111.7°	109.4°
C5	C6	HC62	111.7°	109.5°
O5	C5	HC5	112.0°	109.8°
O6	C6	HC61	111.7°	109.4°
O6	C6	HC62	111.7°	109.5°
C6	O6	HO6	110.8°	106.8°
HC61	C6	HC62	98.7°	109.5°
C8	C7	N2	126.1°	127.3°
C8	C7	S1	117.1°	127.3°
C7	C8	HC81	126.1°	109.5°
C7	C8	HC82	106.4°	109.5°
C7	C8	HC83	106.4°	109.4°
N2	C7	S1	116.8°	105.3°
HC81	C8	HC82	106.4°	109.5°
HC81	C8	HC83	106.3°	109.5°
HC82	C8	HC83	103.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	S1	O5	127.5°	130.8°
C2	C1	S1	HC1	119.6°	110.1°
C2	C1	O5	HC1	118.6°	122.8°
C1	C2	C3	N2	119.0°	124.0°
C1	C2	C3	HC2	119.8°	119.7°
C1	C2	N2	HC2	119.8°	117.8°
C1	C2	C3	C4	41.5°	29.5°
C1	C2	C3	O3	165.1°	150.1°
C1	C2	C3	HC3	75.6°	91.0°
C2	C1	O5	C5	45.0°	40.9°
C1	C2	N2	C7	25.0°	15.0°
C2	C1	S1	C7	26.5°	18.6°
S1	C1	O5	HC1	122.7°	118.1°
S1	C1	C2	C3	87.0°	102.0°
S1	C1	C2	N2	33.0°	20.5°
S1	C1	C2	HC2	154.2°	138.2°
S1	C1	O5	C5	73.6°	78.3°
C1	S1	C7	C8	163.4°	167.6°
C1	S1	C7	N2	15.8°	12.1°
O5	C1	C2	C3	37.1°	23.5°
O5	C1	C2	N2	157.0°	146.0°
O5	C1	C2	HC2	81.7°	96.2°
C1	O5	C5	C4	54.7°	63.1°
C1	O5	C5	C6	179.3°	177.2°
C1	O5	C5	HC5	62.2°	56.3°
O5	C1	S1	C7	154.0°	149.5°
HC1	C1	C2	C3	149.6°	147.4°
HC1	C1	C2	N2	90.4°	90.1°
HC1	C1	C2	HC2	30.9°	27.6°
HC1	C1	O5	C5	163.6°	163.7°
HC1	C1	S1	C7	93.1°	91.5°
C3	C2	N2	HC2	118.8°	116.4°
C2	C3	C4	O3	123.2°	120.7°
C2	C3	C4	HC3	117.5°	120.6°
C2	C3	O3	HC3	117.8°	118.9°
C2	C3	C4	C5	53.4°	52.2°
C2	C3	C4	O4	174.5°	171.9°
C2	C3	C4	HC4	65.7°	67.2°
C3	C2	N2	C7	96.5°	110.9°
C2	C3	O3	HO3	180.0°	180.0°
N2	C2	C3	C4	160.5°	153.5°
N2	C2	C3	O3	75.9°	85.9°
N2	C2	C3	HC3	43.4°	32.9°
C2	N2	C7	C8	178.0°	179.4°
C2	N2	C7	S1	3.0°	0.3°
HC2	C2	C3	C4	78.3°	90.2°
HC2	C2	C3	O3	45.3°	30.4°
HC2	C2	C3	HC3	164.6°	149.2°
HC2	C2	N2	C7	144.7°	132.8°
C4	C3	O3	HC3	117.3°	118.7°
C3	C4	C5	O4	120.4°	119.7°
C3	C4	C5	HC4	119.8°	119.4°
C3	C4	O4	HC4	119.8°	120.9°
C3	C4	C5	C6	178.9°	170.4°
C3	C4	C5	O5	58.0°	69.9°
C3	C4	C5	HC5	63.0°	49.6°
C4	C3	O3	HO3	55.0°	57.6°
C3	C4	O4	HO4	180.0°	180.0°
O3	C3	C4	C5	176.5°	172.9°
O3	C3	C4	O4	62.4°	67.4°
O3	C3	C4	HC4	57.4°	53.5°
HC3	C3	C4	C5	64.2°	68.4°
HC3	C3	C4	O4	56.9°	51.3°
HC3	C3	C4	HC4	176.7°	172.2°
HC3	C3	O3	HO3	62.2°	61.1°
C5	C4	O4	HC4	119.1°	120.9°
C4	C5	C6	O5	122.3°	118.4°
C4	C5	C6	HC5	116.7°	120.8°
C4	C5	O5	HC5	116.9°	119.5°
C4	C5	C6	O6	172.6°	179.9°
C4	C5	C6	HC61	47.4°	60.0°
C4	C5	C6	HC62	62.2°	60.0°
C5	C4	O4	HO4	58.9°	61.8°
O4	C4	C5	C6	60.7°	50.8°
O4	C4	C5	O5	178.4°	170.4°
O4	C4	C5	HC5	57.5°	70.1°
HC4	C4	C5	C6	59.1°	70.1°
HC4	C4	C5	O5	61.8°	49.5°
HC4	C4	C5	HC5	177.2°	169.0°
HC4	C4	O4	HO4	60.2°	59.0°
C6	C5	O5	HC5	118.5°	120.9°
C5	C6	O6	HC61	125.2°	119.9°
C5	C6	O6	HC62	125.3°	120.1°
C5	C6	HC61	HC62	117.7°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	65.2°	61.7°
O5	C5	C6	HC61	169.6°	178.4°
O5	C5	C6	HC62	60.1°	58.4°
HC5	C5	C6	O6	55.9°	59.1°
HC5	C5	C6	HC61	69.3°	60.8°
HC5	C5	C6	HC62	178.8°	179.2°
O6	C6	HC61	HC62	117.6°	120.0°
HC61	C6	O6	HO6	54.8°	60.1°
HC62	C6	O6	HO6	54.7°	59.9°
C8	C7	N2	S1	179.1°	179.7°
C7	C8	HC81	HC82	125.3°	120.0°
C7	C8	HC81	HC83	125.2°	120.0°
C7	C8	HC82	HC83	111.8°	120.0°
N2	C7	C8	HC81	180.0°	180.0°
N2	C7	C8	HC82	54.7°	60.0°
N2	C7	C8	HC83	54.8°	60.0°
S1	C7	C8	HC81	1.0°	0.3°
S1	C7	C8	HC82	124.3°	119.7°
S1	C7	C8	HC83	126.2°	120.3°
HC81	C8	HC82	HC83	111.7°	120.0°

Definition date:	2001-01-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1HP5