IQB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.36Å	1.40Å	Aromatic
C1	C10	sing	1.40Å	1.41Å	Aromatic
C1	S	sing	1.76Å	1.78Å
C2	C3	sing	1.39Å	1.40Å	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	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	sing	1.40Å	1.40Å	Aromatic
C5	C10	doub	1.42Å	1.41Å	Aromatic
C6	N7	doub	1.31Å	1.36Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
N7	C8	sing	1.33Å	1.35Å	Aromatic
C8	C9	doub	1.36Å	1.40Å	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	1.65Å	1.61Å
N1'	C2'	sing	1.47Å	1.45Å
N1'	HN1	sing	0.97Å	1.02Å
C2'	C3'	sing	1.53Å	1.54Å
C2'	H2'1	sing	1.09Å	1.11Å
C2'	H2'2	sing	1.09Å	1.12Å
C3'	N4'	sing	1.47Å	1.47Å
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'	C6'	sing	1.51Å	1.51Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.11Å
C6'	C7'	doub	1.33Å	1.34Å
C6'	H6'	sing	1.08Å	1.10Å
C7'	C1'	sing	1.48Å	1.51Å
C7'	H7'	sing	1.08Å	1.10Å
C1'	C2B	doub	1.40Å	1.40Å	Aromatic
C1'	C6B	sing	1.39Å	1.40Å	Aromatic
C2B	C3B	sing	1.38Å	1.40Å	Aromatic
C2B	H2'	sing	1.08Å	1.10Å
C3B	C4'	doub	1.38Å	1.40Å	Aromatic
C3B	H3'	sing	1.08Å	1.10Å
C4'	BR4'	sing	1.89Å	1.86Å
C4'	C5B	sing	1.38Å	1.39Å	Aromatic
C5B	C6B	doub	1.38Å	1.40Å	Aromatic
C5B	H5'	sing	1.08Å	1.10Å
C6B	H6B	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C10	119.3°	119.4°
C2	C1	S	118.8°	120.3°
C1	C2	C3	120.4°	121.0°
C1	C2	H2	119.9°	119.4°
C10	C1	S	121.9°	120.3°
C1	C10	C5	120.0°	119.6°
C1	C10	C9	121.3°	122.2°
C1	S	O1	108.5°	105.8°
C1	S	O2	108.7°	105.7°
C1	S	N1'	100.6°	107.4°
C3	C2	H2	119.6°	119.5°
C2	C3	C4	120.5°	121.1°
C2	C3	H3	119.8°	119.5°
C4	C3	H3	119.7°	119.4°
C3	C4	C5	119.4°	119.5°
C3	C4	H4	120.3°	120.3°
C5	C4	H4	120.3°	120.2°
C4	C5	C6	120.2°	122.1°
C4	C5	C10	120.4°	119.3°
C6	C5	C10	119.4°	118.6°
C5	C6	N7	120.4°	119.8°
C5	C6	H6	121.3°	120.1°
C5	C10	C9	118.7°	118.2°
N7	C6	H6	118.3°	120.1°
C6	N7	C8	121.7°	122.8°
N7	C8	C9	120.0°	121.9°
N7	C8	H8	118.3°	119.0°
C9	C8	H8	121.7°	119.1°
C8	C9	C10	119.8°	118.7°
C8	C9	H9	120.0°	120.7°
C10	C9	H9	120.2°	120.7°
O1	S	O2	118.9°	125.3°
O1	S	N1'	108.4°	105.8°
O2	S	N1'	110.1°	105.8°
S	N1'	C2'	121.1°	120.1°
S	N1'	HN1	108.0°	120.0°
C2'	N1'	HN1	108.0°	119.9°
N1'	C2'	C3'	110.5°	109.5°
N1'	C2'	H2'1	111.9°	109.4°
N1'	C2'	H2'2	111.8°	109.5°
C3'	C2'	H2'1	111.8°	109.4°
C3'	C2'	H2'2	111.8°	109.5°
C2'	C3'	N4'	110.4°	109.4°
C2'	C3'	H3'1	111.8°	109.4°
C2'	C3'	H3'2	111.8°	109.5°
H2'1	C2'	H2'2	98.5°	109.4°
N4'	C3'	H3'1	111.9°	109.4°
N4'	C3'	H3'2	111.9°	109.5°
C3'	N4'	C5'	109.8°	106.6°
C3'	N4'	HN4	112.0°	106.6°
H3'1	C3'	H3'2	98.6°	109.5°
C5'	N4'	HN4	112.1°	106.7°
N4'	C5'	C6'	110.7°	109.5°
N4'	C5'	H5'1	111.7°	109.5°
N4'	C5'	H5'2	111.7°	109.5°
C6'	C5'	H5'1	111.8°	109.5°
C6'	C5'	H5'2	111.7°	109.5°
C5'	C6'	C7'	120.9°	120.0°
C5'	C6'	H6'	125.4°	120.0°
H5'1	C5'	H5'2	98.7°	109.5°
C7'	C6'	H6'	113.7°	119.9°
C6'	C7'	C1'	121.8°	120.0°
C6'	C7'	H7'	113.1°	120.0°
C1'	C7'	H7'	125.1°	120.0°
C7'	C1'	C2B	121.5°	120.1°
C7'	C1'	C6B	119.2°	120.1°
C2B	C1'	C6B	119.3°	119.7°
C1'	C2B	C3B	120.2°	119.9°
C1'	C2B	H2'	119.9°	120.1°
C1'	C6B	C5B	120.7°	119.9°
C1'	C6B	H6B	119.6°	120.0°
C3B	C2B	H2'	119.8°	120.1°
C2B	C3B	C4'	119.8°	120.2°
C2B	C3B	H3'	120.1°	120.0°
C4'	C3B	H3'	120.1°	119.9°
C3B	C4'	BR4'	120.6°	119.9°
C3B	C4'	C5B	120.1°	120.3°
BR4'	C4'	C5B	119.3°	119.9°
C4'	C5B	C6B	119.8°	120.1°
C4'	C5B	H5'	119.9°	120.0°
C6B	C5B	H5'	120.2°	119.9°
C5B	C6B	H6B	119.7°	120.1°

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°	180.0°
C1	C2	C3	C4	0.2°	0.1°
C1	C2	C3	H3	179.8°	180.0°
C2	C1	C10	C5	0.1°	0.5°
C2	C1	C10	C9	180.0°	179.7°
C2	C1	S	O1	135.4°	131.3°
C2	C1	S	O2	4.6°	3.5°
C2	C1	S	N1'	111.0°	116.0°
C10	C1	C2	C3	0.1°	0.2°
C10	C1	C2	H2	179.9°	179.8°
C1	C10	C5	C4	0.1°	0.5°
C1	C10	C5	C6	180.0°	179.7°
C1	C10	C5	C9	179.9°	179.2°
C1	C10	C9	C8	179.9°	179.7°
C1	C10	C9	H9	0.0°	0.7°
C10	C1	S	O1	44.3°	49.0°
C10	C1	S	O2	175.0°	176.3°
C10	C1	S	N1'	69.3°	63.7°
S	C1	C2	C3	179.8°	180.0°
S	C1	C2	H2	0.2°	0.0°
S	C1	C10	C5	179.8°	179.7°
S	C1	C10	C9	0.4°	0.6°
C1	S	O1	O2	124.9°	123.1°
C1	S	O1	N1'	108.4°	113.8°
C1	S	O2	N1'	109.3°	113.7°
C1	S	N1'	C2'	78.0°	64.9°
C1	S	N1'	HN1	47.2°	115.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.2°	0.0°
C2	C3	C4	H4	179.9°	179.9°
H2	C2	C3	C4	179.9°	180.0°
H2	C2	C3	H3	0.2°	0.0°
C3	C4	C5	H4	179.9°	180.0°
C3	C4	C5	C6	180.0°	180.0°
C3	C4	C5	C10	0.1°	0.3°
H3	C3	C4	C5	179.8°	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	0.0°	0.0°
C4	C5	C10	C9	179.9°	179.7°
H4	C4	C5	C6	0.0°	0.0°
H4	C4	C5	C10	179.9°	179.8°
C5	C6	N7	H6	180.0°	179.9°
C5	C6	N7	C8	0.1°	0.0°
C6	C5	C10	C9	0.2°	0.5°
C10	C5	C6	N7	0.2°	0.3°
C10	C5	C6	H6	179.9°	179.8°
C5	C10	C9	C8	0.1°	0.6°
C5	C10	C9	H9	179.9°	179.8°
C6	N7	C8	C9	0.0°	0.1°
C6	N7	C8	H8	180.0°	180.0°
H6	C6	N7	C8	180.0°	180.0°
N7	C8	C9	H8	180.0°	179.9°
N7	C8	C9	C10	0.0°	0.4°
N7	C8	C9	H9	180.0°	180.0°
C8	C9	C10	H9	180.0°	179.6°
H8	C8	C9	C10	180.0°	179.8°
H8	C8	C9	H9	0.0°	0.1°
O1	S	O2	N1'	125.8°	123.2°
O1	S	N1'	C2'	168.2°	177.5°
O1	S	N1'	HN1	66.6°	2.4°
O2	S	N1'	C2'	36.6°	47.7°
O2	S	N1'	HN1	161.8°	132.4°
S	N1'	C2'	HN1	125.2°	179.9°
S	N1'	C2'	C3'	47.5°	175.0°
S	N1'	C2'	H2'1	172.8°	55.0°
S	N1'	C2'	H2'2	77.8°	64.9°
N1'	C2'	C3'	H2'1	125.3°	119.9°
N1'	C2'	C3'	H2'2	125.3°	120.1°
N1'	C2'	H2'1	H2'2	117.7°	120.0°
N1'	C2'	C3'	N4'	116.1°	180.0°
N1'	C2'	C3'	H3'1	118.7°	60.1°
N1'	C2'	C3'	H3'2	9.2°	60.0°
HN1	N1'	C2'	C3'	172.7°	5.1°
HN1	N1'	C2'	H2'1	62.0°	125.1°
HN1	N1'	C2'	H2'2	47.5°	115.0°
C3'	C2'	H2'1	H2'2	117.7°	120.0°
C2'	C3'	N4'	H3'1	125.2°	119.9°
C2'	C3'	N4'	H3'2	125.3°	120.1°
C2'	C3'	H3'1	H3'2	117.7°	120.1°
C2'	C3'	N4'	C5'	127.6°	179.9°
C2'	C3'	N4'	HN4	107.1°	66.4°
H2'1	C2'	C3'	N4'	9.2°	60.1°
H2'1	C2'	C3'	H3'1	116.0°	180.0°
H2'1	C2'	C3'	H3'2	134.5°	59.9°
H2'2	C2'	C3'	N4'	118.6°	59.9°
H2'2	C2'	C3'	H3'1	6.6°	60.0°
H2'2	C2'	C3'	H3'2	116.1°	179.9°
N4'	C3'	H3'1	H3'2	117.8°	120.0°
C3'	N4'	C5'	HN4	125.2°	113.7°
C3'	N4'	C5'	C6'	52.8°	180.0°
C3'	N4'	C5'	H5'1	72.5°	60.0°
C3'	N4'	C5'	H5'2	178.0°	60.0°
H3'1	C3'	N4'	C5'	107.2°	60.0°
H3'1	C3'	N4'	HN4	18.1°	173.7°
H3'2	C3'	N4'	C5'	2.3°	60.0°
H3'2	C3'	N4'	HN4	127.6°	53.7°
N4'	C5'	C6'	H5'1	125.2°	120.0°
N4'	C5'	C6'	H5'2	125.2°	120.0°
N4'	C5'	H5'1	H5'2	117.6°	120.0°
N4'	C5'	C6'	C7'	120.9°	120.0°
N4'	C5'	C6'	H6'	59.1°	59.9°
HN4	N4'	C5'	C6'	72.4°	66.3°
HN4	N4'	C5'	H5'1	162.3°	173.7°
HN4	N4'	C5'	H5'2	52.8°	53.7°
C6'	C5'	H5'1	H5'2	117.7°	120.0°
C5'	C6'	C7'	H6'	180.0°	179.9°
C5'	C6'	C7'	C1'	179.9°	180.0°
C5'	C6'	C7'	H7'	0.0°	0.0°
H5'1	C5'	C6'	C7'	4.3°	120.0°
H5'1	C5'	C6'	H6'	175.7°	60.1°
H5'2	C5'	C6'	C7'	113.9°	0.0°
H5'2	C5'	C6'	H6'	66.2°	179.9°
C6'	C7'	C1'	H7'	180.0°	180.0°
C6'	C7'	C1'	C2B	23.4°	180.0°
C6'	C7'	C1'	C6B	156.5°	0.0°
H6'	C6'	C7'	C1'	0.0°	0.0°
H6'	C6'	C7'	H7'	180.0°	179.9°
C7'	C1'	C2B	C6B	179.9°	180.0°
C7'	C1'	C2B	C3B	179.9°	180.0°
C7'	C1'	C2B	H2'	0.1°	0.0°
C7'	C1'	C6B	C5B	180.0°	179.7°
C7'	C1'	C6B	H6B	0.0°	0.0°
H7'	C7'	C1'	C2B	156.6°	0.0°
H7'	C7'	C1'	C6B	23.4°	180.0°
C1'	C2B	C3B	H2'	180.0°	179.9°
C1'	C2B	C3B	C4'	0.1°	0.0°
C1'	C2B	C3B	H3'	179.9°	179.9°
C2B	C1'	C6B	C5B	0.0°	0.3°
C2B	C1'	C6B	H6B	180.0°	180.0°
C6B	C1'	C2B	C3B	0.0°	0.0°
C6B	C1'	C2B	H2'	180.0°	180.0°
C1'	C6B	C5B	C4'	0.1°	0.6°
C1'	C6B	C5B	H6B	180.0°	179.8°
C1'	C6B	C5B	H5'	180.0°	179.9°
C2B	C3B	C4'	H3'	180.0°	179.9°
C2B	C3B	C4'	BR4'	179.8°	180.0°
C2B	C3B	C4'	C5B	0.0°	0.3°
H2'	C2B	C3B	C4'	180.0°	180.0°
H2'	C2B	C3B	H3'	0.1°	0.0°
C3B	C4'	BR4'	C5B	179.8°	179.7°
C3B	C4'	C5B	C6B	0.0°	0.6°
C3B	C4'	C5B	H5'	180.0°	180.0°
H3'	C3B	C4'	BR4'	0.2°	0.1°
H3'	C3B	C4'	C5B	180.0°	179.8°
BR4'	C4'	C5B	C6B	179.8°	179.7°
BR4'	C4'	C5B	H5'	0.2°	0.4°
C4'	C5B	C6B	H5'	180.0°	179.4°
C4'	C5B	C6B	H6B	179.9°	179.7°
H5'	C5B	C6B	H6B	0.1°	0.3°

Definition date:	1999-07-08
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1YDT