IPT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.55Å
C1	O5	sing	1.42Å	1.52Å
C1	S1	sing	1.81Å	1.40Å
C1	H1	sing	1.09Å	1.11Å
C2	O2	sing	1.43Å	1.45Å
C2	C3	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.12Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.39Å
C3	C4	sing	1.53Å	1.69Å
C3	H3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.40Å
C4	C5	sing	1.53Å	1.49Å
C4	H4	sing	1.09Å	1.11Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.46Å
C5	C6	sing	1.53Å	1.55Å
C5	H5	sing	1.09Å	1.11Å
C6	O6	sing	1.43Å	1.37Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
O6	HO6	sing	0.97Å	0.95Å
S1	C1'	sing	1.81Å	1.48Å
C1'	C2'	sing	1.53Å	1.66Å
C1'	C3'	sing	1.53Å	1.62Å
C1'	H1'	sing	1.09Å	1.12Å
C2'	H2'1	sing	1.09Å	1.11Å
C2'	H2'2	sing	1.09Å	1.11Å
C2'	H2'3	sing	1.09Å	1.12Å
C3'	H3'1	sing	1.09Å	1.11Å
C3'	H3'2	sing	1.09Å	1.11Å
C3'	H3'3	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	118.7°	109.8°
C2	C1	S1	107.4°	109.4°
C2	C1	H1	107.8°	109.4°
C1	C2	O2	110.8°	109.6°
C1	C2	C3	100.0°	109.0°
C1	C2	H2	116.6°	109.6°
O5	C1	S1	117.6°	109.4°
O5	C1	H1	94.6°	109.4°
C1	O5	C5	125.0°	107.6°
S1	C1	H1	109.3°	109.4°
C1	S1	C1'	113.0°	100.0°
O2	C2	C3	114.6°	109.6°
O2	C2	H2	102.5°	109.5°
C2	O2	HO2	110.8°	106.9°
C3	C2	H2	112.8°	109.5°
C2	C3	O3	101.8°	109.8°
C2	C3	C4	119.6°	108.6°
C2	C3	H3	109.6°	109.6°
O3	C3	C4	113.4°	109.6°
O3	C3	H3	116.3°	109.6°
C3	O3	HO3	101.8°	106.8°
C4	C3	H3	97.0°	109.6°
C3	C4	O4	110.0°	109.7°
C3	C4	C5	120.5°	109.0°
C3	C4	H4	99.2°	109.5°
O4	C4	C5	102.0°	109.6°
O4	C4	H4	118.6°	109.5°
C4	O4	HO4	110.0°	106.8°
C5	C4	H4	107.6°	109.5°
C4	C5	O5	100.9°	109.8°
C4	C5	C6	112.0°	109.3°
C4	C5	H5	112.1°	109.4°
O5	C5	C6	105.3°	109.5°
O5	C5	H5	118.2°	109.4°
C6	C5	H5	108.1°	109.4°
C5	C6	O6	114.0°	109.4°
C5	C6	H61	110.5°	109.5°
C5	C6	H62	110.5°	109.4°
O6	C6	H61	110.5°	109.6°
O6	C6	H62	110.5°	109.4°
C6	O6	HO6	114.1°	106.8°
H61	C6	H62	99.8°	109.5°
S1	C1'	C2'	121.8°	109.5°
S1	C1'	C3'	117.3°	109.5°
S1	C1'	H1'	91.3°	109.4°
C2'	C1'	C3'	108.7°	109.5°
C2'	C1'	H1'	104.1°	109.5°
C1'	C2'	H2'1	121.9°	109.5°
C1'	C2'	H2'2	107.8°	109.5°
C1'	C2'	H2'3	107.8°	109.5°
C3'	C1'	H1'	110.8°	109.4°
C1'	C3'	H3'1	117.3°	109.4°
C1'	C3'	H3'2	109.3°	109.5°
C1'	C3'	H3'3	109.4°	109.5°
H2'1	C2'	H2'2	107.8°	109.5°
H2'1	C2'	H2'3	107.8°	109.4°
H2'2	C2'	H2'3	102.0°	109.6°
H3'1	C3'	H3'2	109.4°	109.5°
H3'1	C3'	H3'3	109.4°	109.5°
H3'2	C3'	H3'3	100.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	S1	132.2°	120.1°
C2	C1	O5	H1	113.2°	120.1°
C2	C1	S1	H1	116.8°	119.8°
C1	C2	O2	C3	112.3°	119.6°
C1	C2	O2	H2	125.1°	120.3°
C1	C2	C3	H2	124.6°	119.9°
C1	C2	O2	HO2	180.0°	60.4°
C1	C2	C3	O3	165.7°	173.6°
C1	C2	C3	C4	39.9°	53.8°
C1	C2	C3	H3	70.6°	66.0°
C2	C1	O5	C5	61.2°	67.6°
C2	C1	S1	C1'	118.1°	179.8°
O5	C1	S1	H1	106.2°	119.8°
O5	C1	C2	O2	167.8°	178.8°
O5	C1	C2	C3	46.4°	61.3°
O5	C1	C2	H2	75.5°	58.6°
C1	O5	C5	C4	49.1°	67.6°
C1	O5	C5	C6	165.7°	172.4°
C1	O5	C5	H5	73.4°	52.6°
O5	C1	S1	C1'	18.9°	59.8°
S1	C1	C2	O2	55.8°	58.7°
S1	C1	C2	C3	177.1°	178.6°
S1	C1	C2	H2	60.9°	61.5°
S1	C1	O5	C5	166.7°	172.3°
C1	S1	C1'	C2'	45.5°	180.0°
C1	S1	C1'	C3'	92.7°	60.0°
C1	S1	C1'	H1'	153.0°	59.9°
H1	C1	C2	O2	62.0°	61.1°
H1	C1	C2	C3	59.4°	58.8°
H1	C1	C2	H2	178.7°	178.7°
H1	C1	O5	C5	52.0°	52.5°
H1	C1	S1	C1'	125.1°	60.0°
O2	C2	C3	H2	116.9°	120.1°
O2	C2	C3	O3	75.7°	66.5°
O2	C2	C3	C4	158.5°	173.7°
O2	C2	C3	H3	47.9°	53.9°
C3	C2	O2	HO2	67.7°	180.0°
C2	C3	O3	C4	129.7°	119.2°
C2	C3	O3	H3	119.0°	120.4°
C2	C3	C4	H3	117.3°	119.8°
C2	C3	O3	HO3	180.0°	60.8°
C2	C3	C4	O4	74.2°	66.2°
C2	C3	C4	C5	43.9°	53.8°
C2	C3	C4	H4	160.7°	173.6°
H2	C2	O2	HO2	54.9°	59.8°
H2	C2	C3	O3	41.1°	53.7°
H2	C2	C3	C4	84.6°	66.1°
H2	C2	C3	H3	164.8°	174.1°
O3	C3	C4	H3	122.6°	120.3°
O3	C3	C4	O4	45.9°	53.7°
O3	C3	C4	C5	164.0°	173.7°
O3	C3	C4	H4	79.2°	66.5°
C4	C3	O3	HO3	50.3°	180.0°
C3	C4	O4	C5	129.0°	119.6°
C3	C4	O4	H4	113.1°	120.2°
C3	C4	C5	H4	112.4°	119.8°
C3	C4	O4	HO4	180.0°	60.5°
C3	C4	C5	O5	38.8°	61.3°
C3	C4	C5	C6	150.4°	178.6°
C3	C4	C5	H5	87.8°	58.8°
H3	C3	O3	HO3	61.0°	59.7°
H3	C3	C4	O4	168.5°	174.0°
H3	C3	C4	C5	73.4°	66.0°
H3	C3	C4	H4	43.4°	53.8°
O4	C4	C5	H4	125.5°	120.2°
O4	C4	C5	O5	83.2°	58.7°
O4	C4	C5	C6	28.4°	61.4°
O4	C4	C5	H5	150.1°	178.8°
C5	C4	O4	HO4	51.0°	180.0°
C4	C5	O5	C6	116.6°	120.0°
C4	C5	O5	H5	122.5°	120.1°
C4	C5	C6	H5	124.0°	119.8°
C4	C5	C6	O6	45.0°	179.8°
C4	C5	C6	H61	80.2°	59.7°
C4	C5	C6	H62	170.3°	60.4°
H4	C4	O4	HO4	66.9°	59.8°
H4	C4	C5	O5	151.3°	178.9°
H4	C4	C5	C6	97.1°	58.8°
H4	C4	C5	H5	24.6°	61.0°
O5	C5	C6	H5	127.2°	119.9°
O5	C5	C6	O6	153.8°	59.9°
O5	C5	C6	H61	28.6°	180.0°
O5	C5	C6	H62	80.9°	60.0°
C5	C6	O6	H61	125.2°	120.1°
C5	C6	O6	H62	125.3°	119.9°
C5	C6	H61	H62	116.4°	119.9°
C5	C6	O6	HO6	180.0°	180.0°
H5	C5	C6	O6	79.0°	59.9°
H5	C5	C6	H61	155.8°	60.2°
H5	C5	C6	H62	46.3°	179.8°
O6	C6	H61	H62	116.4°	120.0°
H61	C6	O6	HO6	54.8°	59.9°
H62	C6	O6	HO6	54.8°	60.1°
S1	C1'	C2'	C3'	141.3°	120.0°
S1	C1'	C2'	H1'	100.6°	120.0°
S1	C1'	C3'	H1'	102.9°	120.0°
S1	C1'	C2'	H2'1	180.0°	180.0°
S1	C1'	C2'	H2'2	54.7°	60.0°
S1	C1'	C2'	H2'3	54.7°	60.1°
S1	C1'	C3'	H3'1	180.0°	60.0°
S1	C1'	C3'	H3'2	54.8°	60.0°
S1	C1'	C3'	H3'3	54.7°	180.0°
C2'	C1'	C3'	H1'	113.8°	120.0°
C1'	C2'	H2'1	H2'2	125.3°	120.0°
C1'	C2'	H2'1	H2'3	125.3°	120.0°
C1'	C2'	H2'2	H2'3	113.4°	120.1°
C2'	C1'	C3'	H3'1	36.7°	60.0°
C2'	C1'	C3'	H3'2	162.0°	180.0°
C2'	C1'	C3'	H3'3	88.6°	60.0°
C3'	C1'	C2'	H2'1	38.7°	60.0°
C3'	C1'	C2'	H2'2	86.6°	179.9°
C3'	C1'	C2'	H2'3	164.0°	59.9°
C1'	C3'	H3'1	H3'2	125.2°	120.0°
C1'	C3'	H3'1	H3'3	125.2°	120.0°
C1'	C3'	H3'2	H3'3	115.1°	120.0°
H1'	C1'	C2'	H2'1	79.4°	60.0°
H1'	C1'	C2'	H2'2	155.2°	60.0°
H1'	C1'	C2'	H2'3	45.8°	179.9°
H1'	C1'	C3'	H3'1	77.1°	179.9°
H1'	C1'	C3'	H3'2	48.1°	60.0°
H1'	C1'	C3'	H3'3	157.6°	60.0°
H2'1	C2'	H2'2	H2'3	113.3°	119.9°
H3'1	C3'	H3'2	H3'3	115.2°	120.1°

Definition date:	1999-07-08
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1LBH