SAB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.40Å	1.37Å	Aromatic
C1	C6	sing	1.40Å	1.37Å	Aromatic
C1	C7	sing	1.48Å	1.45Å
C2	C3	sing	1.38Å	1.43Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.44Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.38Å	1.44Å	Aromatic
C4	S	sing	1.76Å	1.65Å
C5	C6	doub	1.38Å	1.43Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C7	O7	doub	1.22Å	1.19Å
C7	N	sing	1.35Å	1.45Å
N	C1'	sing	1.46Å	1.46Å
N	HN	sing	0.97Å	1.02Å
C1'	C2'	sing	1.53Å	1.47Å
C1'	H1'1	sing	1.09Å	1.12Å
C1'	H1'2	sing	1.09Å	1.11Å
C2'	C3'	sing	1.53Å	1.43Å
C2'	H2'1	sing	1.09Å	1.12Å
C2'	H2'2	sing	1.09Å	1.11Å
C3'	C4'	sing	1.53Å	1.43Å
C3'	H3'1	sing	1.09Å	1.11Å
C3'	H3'2	sing	1.09Å	1.12Å
C4'	N4'	sing	1.47Å	1.49Å
C4'	H4'1	sing	1.09Å	1.11Å
C4'	H4'2	sing	1.09Å	1.11Å
N4'	HN41	sing	1.01Å	1.02Å
N4'	HN42	sing	1.01Å	1.02Å
S	O1S	doub	1.42Å	1.37Å
S	O2S	doub	1.42Å	1.52Å
S	N3S	sing	1.66Å	1.44Å
N3S	HN31	sing	0.97Å	1.02Å
N3S	HN32	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	123.3°	119.7°
C2	C1	C7	118.6°	120.2°
C1	C2	C3	119.4°	119.9°
C1	C2	H2	118.0°	120.1°
C6	C1	C7	118.1°	120.2°
C1	C6	C5	119.4°	119.9°
C1	C6	H6	118.0°	120.1°
C1	C7	O7	127.5°	120.0°
C1	C7	N	116.8°	120.0°
C3	C2	H2	122.6°	120.0°
C2	C3	C4	120.0°	120.2°
C2	C3	H3	119.9°	120.0°
C4	C3	H3	120.1°	119.9°
C3	C4	C5	117.6°	120.2°
C3	C4	S	121.2°	119.9°
C5	C4	S	121.1°	119.9°
C4	C5	C6	120.3°	120.1°
C4	C5	H5	120.0°	119.9°
C4	S	O1S	114.7°	105.8°
C4	S	O2S	101.2°	105.8°
C4	S	N3S	104.1°	107.4°
C6	C5	H5	119.7°	120.0°
C5	C6	H6	122.7°	120.0°
O7	C7	N	115.7°	119.9°
C7	N	C1'	119.1°	120.0°
C7	N	HN	120.3°	120.0°
C1'	N	HN	120.6°	120.0°
N	C1'	C2'	120.1°	109.5°
N	C1'	H1'1	108.4°	109.5°
N	C1'	H1'2	108.4°	109.4°
C2'	C1'	H1'1	108.4°	109.5°
C2'	C1'	H1'2	108.4°	109.4°
C1'	C2'	C3'	113.2°	109.5°
C1'	C2'	H2'1	110.8°	109.5°
C1'	C2'	H2'2	110.8°	109.4°
H1'1	C1'	H1'2	101.6°	109.4°
C3'	C2'	H2'1	110.8°	109.5°
C3'	C2'	H2'2	110.8°	109.5°
C2'	C3'	C4'	111.0°	109.5°
C2'	C3'	H3'1	111.6°	109.5°
C2'	C3'	H3'2	111.6°	109.4°
H2'1	C2'	H2'2	99.5°	109.4°
C4'	C3'	H3'1	111.7°	109.5°
C4'	C3'	H3'2	111.7°	109.4°
C3'	C4'	N4'	111.5°	109.5°
C3'	C4'	H4'1	111.4°	109.5°
C3'	C4'	H4'2	111.4°	109.4°
H3'1	C3'	H3'2	98.7°	109.5°
N4'	C4'	H4'1	111.5°	109.5°
N4'	C4'	H4'2	111.4°	109.4°
C4'	N4'	HN41	111.5°	106.7°
C4'	N4'	HN42	111.4°	106.6°
H4'1	C4'	H4'2	99.0°	109.4°
HN41	N4'	HN42	111.5°	106.7°
O1S	S	O2S	116.1°	125.3°
O1S	S	N3S	106.8°	105.7°
O2S	S	N3S	113.4°	105.8°
S	N3S	HN31	104.1°	120.0°
S	N3S	HN32	114.2°	120.0°
HN31	N3S	HN32	114.2°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	178.9°	179.8°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.1°	0.0°
C1	C2	C3	H3	179.9°	180.0°
C2	C1	C6	C5	0.1°	0.5°
C2	C1	C6	H6	179.9°	180.0°
C2	C1	C7	O7	179.3°	0.1°
C2	C1	C7	N	0.0°	179.9°
C6	C1	C2	C3	0.2°	0.3°
C6	C1	C2	H2	179.7°	179.8°
C1	C6	C5	C4	0.2°	0.5°
C1	C6	C5	H6	180.0°	179.5°
C1	C6	C5	H5	179.8°	179.7°
C6	C1	C7	O7	0.4°	179.7°
C6	C1	C7	N	178.9°	0.2°
C7	C1	C2	C3	178.6°	179.9°
C7	C1	C2	H2	1.4°	0.1°
C7	C1	C6	C5	178.8°	179.7°
C7	C1	C6	H6	1.3°	0.2°
C1	C7	O7	N	179.3°	179.9°
C1	C7	N	C1'	172.4°	180.0°
C1	C7	N	HN	7.6°	0.1°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.1°
C2	C3	C4	S	179.2°	180.0°
H2	C2	C3	C4	179.8°	179.8°
H2	C2	C3	H3	0.1°	0.1°
C3	C4	C5	S	179.3°	179.9°
C3	C4	C5	C6	0.3°	0.2°
C3	C4	C5	H5	179.7°	180.0°
C3	C4	S	O1S	79.6°	157.4°
C3	C4	S	O2S	154.5°	22.7°
C3	C4	S	N3S	36.7°	90.0°
H3	C3	C4	C5	179.8°	180.0°
H3	C3	C4	S	0.9°	0.0°
C4	C5	C6	H5	180.0°	179.8°
C4	C5	C6	H6	179.9°	180.0°
C5	C4	S	O1S	99.6°	22.6°
C5	C4	S	O2S	26.2°	157.4°
C5	C4	S	N3S	144.1°	89.9°
S	C4	C5	C6	179.0°	179.7°
S	C4	C5	H5	1.0°	0.1°
C4	S	O1S	O2S	117.6°	123.1°
C4	S	O1S	N3S	114.8°	113.8°
C4	S	O2S	N3S	110.9°	113.8°
C4	S	N3S	HN31	180.0°	180.0°
C4	S	N3S	HN32	54.7°	0.0°
H5	C5	C6	H6	0.1°	0.2°
O7	C7	N	C1'	8.3°	0.1°
O7	C7	N	HN	171.8°	180.0°
C7	N	C1'	HN	179.9°	179.9°
C7	N	C1'	C2'	82.4°	180.0°
C7	N	C1'	H1'1	152.3°	59.9°
C7	N	C1'	H1'2	42.9°	60.1°
N	C1'	C2'	H1'1	125.3°	120.1°
N	C1'	C2'	H1'2	125.3°	120.0°
N	C1'	H1'1	H1'2	114.1°	120.0°
N	C1'	C2'	C3'	29.2°	180.0°
N	C1'	C2'	H2'1	154.4°	59.9°
N	C1'	C2'	H2'2	96.1°	60.0°
HN	N	C1'	C2'	97.6°	0.1°
HN	N	C1'	H1'1	27.6°	120.0°
HN	N	C1'	H1'2	137.1°	120.0°
C2'	C1'	H1'1	H1'2	114.0°	119.9°
C1'	C2'	C3'	H2'1	125.2°	120.1°
C1'	C2'	C3'	H2'2	125.3°	119.9°
C1'	C2'	H2'1	H2'2	116.7°	119.9°
C1'	C2'	C3'	C4'	150.7°	180.0°
C1'	C2'	C3'	H3'1	25.5°	60.0°
C1'	C2'	C3'	H3'2	84.0°	60.1°
H1'1	C1'	C2'	C3'	96.1°	59.9°
H1'1	C1'	C2'	H2'1	29.2°	180.0°
H1'1	C1'	C2'	H2'2	138.7°	60.1°
H1'2	C1'	C2'	C3'	154.5°	60.0°
H1'2	C1'	C2'	H2'1	80.3°	60.1°
H1'2	C1'	C2'	H2'2	29.2°	180.0°
C3'	C2'	H2'1	H2'2	116.7°	120.0°
C2'	C3'	C4'	H3'1	125.3°	120.1°
C2'	C3'	C4'	H3'2	125.3°	119.9°
C2'	C3'	H3'1	H3'2	117.5°	120.0°
C2'	C3'	C4'	N4'	84.3°	180.0°
C2'	C3'	C4'	H4'1	41.0°	59.9°
C2'	C3'	C4'	H4'2	150.5°	60.1°
H2'1	C2'	C3'	C4'	84.0°	59.9°
H2'1	C2'	C3'	H3'1	150.7°	179.9°
H2'1	C2'	C3'	H3'2	41.2°	60.0°
H2'2	C2'	C3'	C4'	25.5°	60.1°
H2'2	C2'	C3'	H3'1	99.8°	60.0°
H2'2	C2'	C3'	H3'2	150.7°	180.0°
C4'	C3'	H3'1	H3'2	117.6°	119.9°
C3'	C4'	N4'	H4'1	125.3°	120.1°
C3'	C4'	N4'	H4'2	125.2°	119.9°
C3'	C4'	H4'1	H4'2	117.3°	119.9°
C3'	C4'	N4'	HN41	180.0°	180.0°
C3'	C4'	N4'	HN42	54.7°	66.3°
H3'1	C3'	C4'	N4'	150.4°	59.9°
H3'1	C3'	C4'	H4'1	84.3°	179.9°
H3'1	C3'	C4'	H4'2	25.2°	60.0°
H3'2	C3'	C4'	N4'	40.9°	60.1°
H3'2	C3'	C4'	H4'1	166.2°	60.1°
H3'2	C3'	C4'	H4'2	84.3°	180.0°
N4'	C4'	H4'1	H4'2	117.4°	120.0°
C4'	N4'	HN41	HN42	125.3°	113.7°
H4'1	C4'	N4'	HN41	54.8°	59.9°
H4'1	C4'	N4'	HN42	70.6°	53.8°
H4'2	C4'	N4'	HN41	54.8°	60.1°
H4'2	C4'	N4'	HN42	179.9°	173.8°
O1S	S	O2S	N3S	124.3°	123.1°
O1S	S	N3S	HN31	58.3°	67.4°
O1S	S	N3S	HN32	67.0°	112.7°
O2S	S	N3S	HN31	70.9°	67.3°
O2S	S	N3S	HN32	163.8°	112.6°
S	N3S	HN31	HN32	125.3°	179.9°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1OKM