IQS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.36Å	1.41Å	Aromatic
C1	C10	sing	1.40Å	1.42Å	Aromatic
C1	S	sing	1.76Å	1.78Å
C2	C3	sing	1.39Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.36Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.40Å	1.41Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	sing	1.40Å	1.39Å	Aromatic
C5	C10	doub	1.42Å	1.42Å	Aromatic
C6	N7	doub	1.31Å	1.37Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
N7	C8	sing	1.33Å	1.35Å	Aromatic
C8	C9	doub	1.36Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C10	sing	1.41Å	1.40Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
S	O1	doub	1.42Å	1.44Å
S	O2	doub	1.42Å	1.45Å
S	N1'	sing	1.66Å	1.61Å
N1'	C2'	sing	1.46Å	1.46Å
N1'	HN1	sing	0.97Å	1.02Å
C2'	C3'	sing	1.53Å	1.53Å
C2'	H2'1	sing	1.09Å	1.11Å
C2'	H2'2	sing	1.09Å	1.12Å
C3'	N4'	sing	1.47Å	1.48Å
C3'	H3'1	sing	1.09Å	1.12Å
C3'	H3'2	sing	1.09Å	1.11Å
N4'	C5'	sing	1.47Å	1.47Å
N4'	HN4	sing	1.01Å	1.02Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.11Å
C5'	H5'3	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C10	118.6°	119.4°
C2	C1	S	118.3°	120.2°
C1	C2	C3	120.6°	121.0°
C1	C2	H2	119.8°	119.5°
C10	C1	S	123.1°	120.3°
C1	C10	C5	120.1°	119.6°
C1	C10	C9	121.0°	122.2°
C1	S	O1	106.2°	105.8°
C1	S	O2	107.7°	105.8°
C1	S	N1'	102.9°	107.4°
C3	C2	H2	119.6°	119.5°
C2	C3	C4	121.4°	121.1°
C2	C3	H3	119.7°	119.4°
C4	C3	H3	118.9°	119.4°
C3	C4	C5	118.7°	119.5°
C3	C4	H4	120.2°	120.3°
C5	C4	H4	121.0°	120.2°
C4	C5	C6	119.9°	122.1°
C4	C5	C10	120.5°	119.3°
C6	C5	C10	119.6°	118.6°
C5	C6	N7	120.0°	119.9°
C5	C6	H6	121.0°	120.1°
C5	C10	C9	118.9°	118.2°
N7	C6	H6	119.0°	120.0°
C6	N7	C8	120.9°	122.8°
N7	C8	C9	122.1°	121.9°
N7	C8	H8	117.2°	119.0°
C9	C8	H8	120.7°	119.1°
C8	C9	C10	118.6°	118.7°
C8	C9	H9	120.5°	120.7°
C10	C9	H9	120.9°	120.7°
O1	S	O2	120.7°	125.3°
O1	S	N1'	105.8°	105.7°
O2	S	N1'	111.9°	105.8°
S	N1'	C2'	123.6°	120.0°
S	N1'	HN1	107.2°	120.1°
C2'	N1'	HN1	107.1°	120.0°
N1'	C2'	C3'	112.5°	109.5°
N1'	C2'	H2'1	111.1°	109.4°
N1'	C2'	H2'2	111.1°	109.5°
C3'	C2'	H2'1	111.1°	109.5°
C3'	C2'	H2'2	111.1°	109.5°
C2'	C3'	N4'	109.8°	109.5°
C2'	C3'	H3'1	112.0°	109.4°
C2'	C3'	H3'2	112.1°	109.5°
H2'1	C2'	H2'2	99.2°	109.4°
N4'	C3'	H3'1	112.1°	109.5°
N4'	C3'	H3'2	112.1°	109.5°
C3'	N4'	C5'	107.6°	106.7°
C3'	N4'	HN4	112.9°	106.7°
H3'1	C3'	H3'2	98.3°	109.4°
C5'	N4'	HN4	112.9°	106.7°
N4'	C5'	H5'1	107.6°	109.5°
N4'	C5'	H5'2	112.9°	109.5°
N4'	C5'	H5'3	112.8°	109.5°
H5'1	C5'	H5'2	112.9°	109.4°
H5'1	C5'	H5'3	112.9°	109.4°
H5'2	C5'	H5'3	97.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C10	S	179.7°	179.7°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H3	180.0°	179.9°
C2	C1	C10	C5	0.2°	0.6°
C2	C1	C10	C9	179.8°	179.8°
C2	C1	S	O1	129.8°	131.4°
C2	C1	S	O2	0.9°	3.4°
C2	C1	S	N1'	119.2°	116.0°
C10	C1	C2	C3	0.1°	0.3°
C10	C1	C2	H2	179.9°	179.7°
C1	C10	C5	C4	0.1°	0.5°
C1	C10	C5	C6	180.0°	179.6°
C1	C10	C5	C9	179.9°	179.2°
C1	C10	C9	C8	179.9°	179.7°
C1	C10	C9	H9	0.1°	0.6°
C10	C1	S	O1	50.5°	49.0°
C10	C1	S	O2	178.9°	176.2°
C10	C1	S	N1'	60.5°	63.6°
S	C1	C2	C3	179.8°	180.0°
S	C1	C2	H2	0.2°	0.1°
S	C1	C10	C5	179.9°	179.7°
S	C1	C10	C9	0.1°	0.6°
C1	S	O1	O2	122.8°	123.2°
C1	S	O1	N1'	108.9°	113.7°
C1	S	O2	N1'	112.4°	113.8°
C1	S	N1'	C2'	81.3°	65.0°
C1	S	N1'	HN1	44.0°	115.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.1°	0.1°
C2	C3	C4	H4	179.9°	180.0°
H2	C2	C3	C4	180.0°	179.9°
H2	C2	C3	H3	0.0°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	179.9°	180.0°
C3	C4	C5	C10	0.0°	0.2°
H3	C3	C4	C5	179.9°	180.0°
H3	C3	C4	H4	0.1°	0.0°
C4	C5	C6	C10	179.9°	179.8°
C4	C5	C6	N7	179.9°	180.0°
C4	C5	C6	H6	0.1°	0.0°
C4	C5	C10	C9	179.8°	179.7°
H4	C4	C5	C6	0.1°	0.0°
H4	C4	C5	C10	180.0°	179.8°
C5	C6	N7	H6	180.0°	180.0°
C5	C6	N7	C8	0.1°	0.0°
C6	C5	C10	C9	0.1°	0.5°
C10	C5	C6	N7	0.0°	0.2°
C10	C5	C6	H6	180.0°	179.8°
C5	C10	C9	C8	0.1°	0.5°
C5	C10	C9	H9	179.8°	179.8°
C6	N7	C8	C9	0.0°	0.0°
C6	N7	C8	H8	180.0°	180.0°
H6	C6	N7	C8	179.9°	180.0°
N7	C8	C9	H8	180.0°	180.0°
N7	C8	C9	C10	0.1°	0.3°
N7	C8	C9	H9	179.9°	180.0°
C8	C9	C10	H9	180.0°	179.7°
H8	C8	C9	C10	179.9°	179.7°
H8	C8	C9	H9	0.1°	0.0°
O1	S	O2	N1'	125.5°	123.0°
O1	S	N1'	C2'	167.5°	177.6°
O1	S	N1'	HN1	67.3°	2.4°
O2	S	N1'	C2'	34.1°	47.7°
O2	S	N1'	HN1	159.3°	132.3°
S	N1'	C2'	HN1	125.3°	180.0°
S	N1'	C2'	C3'	22.3°	175.0°
S	N1'	C2'	H2'1	147.6°	55.0°
S	N1'	C2'	H2'2	102.9°	64.9°
N1'	C2'	C3'	H2'1	125.3°	120.0°
N1'	C2'	C3'	H2'2	125.3°	120.0°
N1'	C2'	H2'1	H2'2	117.0°	119.9°
N1'	C2'	C3'	N4'	134.1°	180.0°
N1'	C2'	C3'	H3'1	100.7°	60.0°
N1'	C2'	C3'	H3'2	8.8°	59.9°
HN1	N1'	C2'	C3'	147.6°	5.0°
HN1	N1'	C2'	H2'1	87.1°	125.0°
HN1	N1'	C2'	H2'2	22.3°	115.1°
C3'	C2'	H2'1	H2'2	116.9°	120.1°
C2'	C3'	N4'	H3'1	125.2°	120.0°
C2'	C3'	N4'	H3'2	125.3°	120.1°
C2'	C3'	H3'1	H3'2	118.0°	120.0°
C2'	C3'	N4'	C5'	111.7°	179.9°
C2'	C3'	N4'	HN4	123.0°	66.2°
H2'1	C2'	C3'	N4'	8.8°	60.0°
H2'1	C2'	C3'	H3'1	134.0°	180.0°
H2'1	C2'	C3'	H3'2	116.5°	60.0°
H2'2	C2'	C3'	N4'	100.6°	60.0°
H2'2	C2'	C3'	H3'1	24.6°	60.1°
H2'2	C2'	C3'	H3'2	134.1°	180.0°
N4'	C3'	H3'1	H3'2	118.0°	120.0°
C3'	N4'	C5'	HN4	125.3°	113.8°
C3'	N4'	C5'	H5'1	180.0°	180.0°
C3'	N4'	C5'	H5'2	54.8°	60.1°
C3'	N4'	C5'	H5'3	54.7°	60.0°
H3'1	C3'	N4'	C5'	123.1°	60.0°
H3'1	C3'	N4'	HN4	2.2°	173.8°
H3'2	C3'	N4'	C5'	13.6°	60.0°
H3'2	C3'	N4'	HN4	111.7°	53.8°
N4'	C5'	H5'1	H5'2	125.2°	120.0°
N4'	C5'	H5'1	H5'3	125.2°	120.0°
N4'	C5'	H5'2	H5'3	118.8°	120.1°
HN4	N4'	C5'	H5'1	54.7°	66.2°
HN4	N4'	C5'	H5'2	70.5°	53.7°
HN4	N4'	C5'	H5'3	180.0°	173.8°
H5'1	C5'	H5'2	H5'3	118.9°	120.0°

Definition date:	1999-07-08
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1YDS