123

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.40Å	1.43Å	Aromatic
C1	C6	doub	1.39Å	1.42Å	Aromatic
C1	C7	sing	1.48Å	1.41Å
C2	C3	doub	1.37Å	1.39Å	Aromatic
C2	HC2	sing	1.08Å	1.08Å
C3	C4	sing	1.39Å	1.38Å	Aromatic
C3	HC3	sing	1.08Å	1.08Å
C4	C5	doub	1.41Å	1.35Å	Aromatic
C4	N3	sing	1.38Å	1.28Å	Aromatic
C5	C6	sing	1.40Å	1.40Å	Aromatic
C5	N4	sing	1.36Å	1.32Å	Aromatic
C6	HC6	sing	1.08Å	1.08Å
C7	N1	sing	1.33Å	1.32Å
C7	N2	doub	1.33Å	1.32Å
N1	HH11	sing	0.97Å	1.01Å
N1	HH12	sing	0.97Å	1.00Å
N2	HH21	sing	0.97Å	1.01Å
N2	HH22	sing	0.97Å	1.00Å
N3	C8	sing	1.37Å	1.29Å	Aromatic
N3	HN3	sing	0.97Å	0.98Å
N4	C8	doub	1.31Å	1.33Å	Aromatic
C8	C1'	sing	1.48Å	1.41Å	Aromatic
C1'	C2'	doub	1.40Å	1.39Å	Aromatic
C1'	C6'	sing	1.40Å	1.42Å	Aromatic
C2'	C3'	sing	1.38Å	1.40Å	Aromatic
C2'	HC2'	sing	1.08Å	1.08Å
C3'	O3'	sing	1.36Å	1.38Å
C3'	C4'	doub	1.39Å	1.39Å	Aromatic
O3'	CM3	sing	1.43Å	1.43Å
CM3	H3'1	sing	1.09Å	1.08Å
CM3	H3'2	sing	1.09Å	1.08Å
CM3	H3'3	sing	1.09Å	1.08Å
C4'	C5'	sing	1.38Å	1.39Å	Aromatic
C4'	HC4'	sing	1.08Å	1.08Å
C5'	C6'	doub	1.39Å	1.40Å	Aromatic
C5'	HC5'	sing	1.08Å	1.08Å
C6'	O6'	sing	1.36Å	1.39Å
O6'	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.2°	120.2°
C2	C1	C7	118.6°	119.9°
C1	C2	C3	121.2°	120.5°
C1	C2	HC2	121.5°	119.8°
C6	C1	C7	122.1°	119.9°
C1	C6	C5	118.0°	119.5°
C1	C6	HC6	121.4°	120.3°
C1	C7	N1	121.0°	120.0°
C1	C7	N2	117.8°	120.0°
C3	C2	HC2	117.3°	119.7°
C2	C3	C4	117.2°	120.2°
C2	C3	HC3	121.9°	119.9°
C4	C3	HC3	121.0°	119.9°
C3	C4	C5	123.9°	120.1°
C3	C4	N3	130.4°	133.7°
C5	C4	N3	105.6°	106.2°
C4	C5	C6	120.4°	119.5°
C4	C5	N4	112.1°	107.2°
C4	N3	C8	107.7°	107.3°
C4	N3	HN3	129.2°	126.4°
C6	C5	N4	127.5°	133.3°
C5	C6	HC6	120.6°	120.2°
C5	N4	C8	100.6°	109.5°
N1	C7	N2	121.2°	120.0°
C7	N1	HH11	118.4°	120.0°
C7	N1	HH12	125.7°	120.0°
C7	N2	HH21	119.8°	120.0°
C7	N2	HH22	123.2°	120.0°
HH11	N1	HH12	115.9°	120.0°
HH21	N2	HH22	117.1°	119.9°
C8	N3	HN3	123.1°	126.4°
N3	C8	N4	114.0°	109.8°
N3	C8	C1'	119.9°	125.1°
N4	C8	C1'	126.2°	125.1°
C8	C1'	C2'	120.9°	120.1°
C8	C1'	C6'	119.8°	120.2°
C2'	C1'	C6'	119.2°	119.7°
C1'	C2'	C3'	120.2°	119.8°
C1'	C2'	HC2'	119.9°	120.1°
C1'	C6'	C5'	120.0°	119.8°
C1'	C6'	O6'	121.6°	120.1°
C3'	C2'	HC2'	119.9°	120.1°
C2'	C3'	O3'	121.6°	119.9°
C2'	C3'	C4'	120.2°	120.2°
O3'	C3'	C4'	118.2°	119.9°
C3'	O3'	CM3	122.4°	106.9°
C3'	C4'	C5'	120.4°	120.3°
C3'	C4'	HC4'	120.0°	119.8°
O3'	CM3	H3'1	109.3°	109.4°
O3'	CM3	H3'2	109.6°	109.5°
O3'	CM3	H3'3	109.3°	109.4°
H3'1	CM3	H3'2	109.4°	109.5°
H3'1	CM3	H3'3	109.5°	109.5°
H3'2	CM3	H3'3	109.7°	109.4°
C5'	C4'	HC4'	119.6°	119.9°
C4'	C5'	C6'	120.0°	120.2°
C4'	C5'	HC5'	119.8°	119.9°
C6'	C5'	HC5'	120.1°	119.9°
C5'	C6'	O6'	118.4°	120.1°
C6'	O6'	HO6	109.5°	106.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	179.9°	180.0°
C1	C2	C3	HC2	179.8°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C1	C2	C3	HC3	180.0°	180.0°
C2	C1	C6	C5	0.0°	0.0°
C2	C1	C6	HC6	179.9°	179.9°
C2	C1	C7	N1	166.8°	0.0°
C2	C1	C7	N2	14.0°	180.0°
C6	C1	C2	C3	0.0°	0.0°
C6	C1	C2	HC2	179.8°	180.0°
C1	C6	C5	C4	0.1°	0.1°
C1	C6	C5	HC6	179.9°	180.0°
C1	C6	C5	N4	179.7°	179.6°
C6	C1	C7	N1	13.3°	180.0°
C6	C1	C7	N2	165.9°	0.0°
C7	C1	C2	C3	179.9°	180.0°
C7	C1	C2	HC2	0.3°	0.0°
C7	C1	C6	C5	179.9°	180.0°
C7	C1	C6	HC6	0.0°	0.1°
C1	C7	N1	N2	179.2°	179.9°
C1	C7	N1	HH11	0.2°	0.1°
C1	C7	N1	HH12	179.3°	180.0°
C1	C7	N2	HH21	2.4°	179.9°
C1	C7	N2	HH22	176.9°	0.0°
C2	C3	C4	HC3	179.9°	180.0°
C2	C3	C4	C5	0.0°	0.0°
C2	C3	C4	N3	179.7°	179.9°
HC2	C2	C3	C4	179.7°	180.0°
HC2	C2	C3	HC3	0.2°	0.0°
C3	C4	C5	N3	179.8°	179.9°
C3	C4	C5	C6	0.0°	0.0°
C3	C4	C5	N4	179.8°	179.7°
C3	C4	N3	C8	179.9°	179.9°
C3	C4	N3	HN3	0.2°	0.1°
HC3	C3	C4	C5	180.0°	180.0°
HC3	C3	C4	N3	0.2°	0.1°
C4	C5	C6	N4	179.8°	179.7°
C4	C5	C6	HC6	179.8°	179.9°
C5	C4	N3	C8	0.1°	0.0°
C5	C4	N3	HN3	180.0°	180.0°
C4	C5	N4	C8	0.1°	0.4°
N3	C4	C5	C6	179.8°	180.0°
N3	C4	C5	N4	0.0°	0.2°
C4	N3	C8	HN3	180.0°	180.0°
C4	N3	C8	N4	0.1°	0.3°
C4	N3	C8	C1'	179.3°	180.0°
C6	C5	N4	C8	179.9°	179.9°
N4	C5	C6	HC6	0.4°	0.4°
C5	N4	C8	N3	0.1°	0.4°
C5	N4	C8	C1'	179.3°	179.8°
C7	N1	HH11	HH12	179.5°	179.9°
N1	C7	N2	HH21	176.8°	0.0°
N1	C7	N2	HH22	3.9°	180.0°
N2	C7	N1	HH11	179.4°	180.0°
N2	C7	N1	HH12	0.0°	0.1°
C7	N2	HH21	HH22	179.3°	180.0°
N3	C8	N4	C1'	179.4°	179.7°
N3	C8	C1'	C2'	164.3°	139.8°
N3	C8	C1'	C6'	15.9°	40.0°
HN3	N3	C8	N4	179.9°	179.7°
HN3	N3	C8	C1'	0.6°	0.0°
N4	C8	C1'	C2'	16.3°	39.9°
N4	C8	C1'	C6'	163.5°	140.3°
C8	C1'	C2'	C6'	179.8°	179.7°
C8	C1'	C2'	C3'	179.8°	179.7°
C8	C1'	C2'	HC2'	0.3°	0.2°
C8	C1'	C6'	C5'	179.9°	179.9°
C8	C1'	C6'	O6'	1.5°	0.0°
C1'	C2'	C3'	HC2'	179.9°	179.5°
C1'	C2'	C3'	O3'	178.5°	179.7°
C1'	C2'	C3'	C4'	0.3°	0.5°
C2'	C1'	C6'	C5'	0.3°	0.3°
C2'	C1'	C6'	O6'	178.3°	179.7°
C6'	C1'	C2'	C3'	0.0°	0.5°
C6'	C1'	C2'	HC2'	179.9°	179.9°
C1'	C6'	C5'	C4'	0.3°	0.1°
C1'	C6'	C5'	O6'	178.7°	179.9°
C1'	C6'	C5'	HC5'	179.6°	180.0°
C1'	C6'	O6'	HO6	173.1°	90.0°
C2'	C3'	O3'	C4'	178.8°	179.7°
C2'	C3'	O3'	CM3	17.5°	179.7°
C2'	C3'	C4'	C5'	0.3°	0.3°
C2'	C3'	C4'	HC4'	179.8°	179.8°
HC2'	C2'	C3'	O3'	1.5°	0.2°
HC2'	C2'	C3'	C4'	179.6°	179.9°
C3'	O3'	CM3	H3'1	171.7°	60.0°
C3'	O3'	CM3	H3'2	51.8°	180.0°
C3'	O3'	CM3	H3'3	68.5°	60.0°
O3'	C3'	C4'	C5'	178.6°	180.0°
O3'	C3'	C4'	HC4'	1.4°	0.0°
C4'	C3'	O3'	CM3	161.4°	0.0°
C3'	C4'	C5'	HC4'	179.9°	180.0°
C3'	C4'	C5'	C6'	0.0°	0.0°
C3'	C4'	C5'	HC5'	179.9°	180.0°
O3'	CM3	H3'1	H3'2	120.0°	120.1°
O3'	CM3	H3'1	H3'3	119.6°	119.9°
O3'	CM3	H3'2	H3'3	120.0°	120.0°
H3'1	CM3	H3'2	H3'3	120.2°	120.0°
C4'	C5'	C6'	HC5'	179.9°	179.9°
C4'	C5'	C6'	O6'	178.4°	180.0°
HC4'	C4'	C5'	C6'	179.9°	180.0°
HC4'	C4'	C5'	HC5'	0.2°	0.1°
C5'	C6'	O6'	HO6	8.2°	90.1°
HC5'	C5'	C6'	O6'	1.7°	0.1°

Definition date:	2001-01-31
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1GI5