15A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	C6	sing	1.43Å	1.32Å
C6	C5	sing	1.53Å	1.55Å
C5	C4	sing	1.53Å	1.56Å
C5	N5	sing	1.47Å	1.42Å
C4	O4	sing	1.43Å	1.36Å
C4	C3	sing	1.53Å	1.57Å
C3	O3	sing	1.43Å	1.32Å
C3	C2	sing	1.53Å	1.57Å
C2	O2	sing	1.43Å	1.36Å
C2	C1	sing	1.51Å	1.52Å
N5	C1	sing	1.38Å	1.35Å
C1	N1	doub	1.29Å	1.35Å
N1	C7	sing	1.46Å	1.43Å
C7	C8	sing	1.53Å	1.56Å
C8	N2	sing	1.47Å	1.48Å
O6	H6	sing	0.97Å	0.95Å
C6	H6C1	sing	1.09Å	1.10Å
C6	H6C2	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
N5	HA	sing	0.97Å	1.00Å
O4	HB	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HC	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
O2	HD	sing	0.97Å	0.95Å
C7	H7C1	sing	1.09Å	1.10Å
C7	H7C2	sing	1.09Å	1.10Å
C8	H8C1	sing	1.09Å	1.10Å
C8	H8C2	sing	1.09Å	1.10Å
N2	H2N1	sing	1.01Å	1.00Å
N2	H2N2	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	C6	C5	107.8°	109.5°
C6	O6	H6	109.5°	114.0°
O6	C6	H6C1	110.0°	109.4°
O6	C6	H6C2	110.4°	109.5°
C6	C5	C4	117.3°	109.6°
C6	C5	N5	107.6°	109.6°
C5	C6	H6C1	110.0°	109.4°
C5	C6	H6C2	110.4°	109.5°
C6	C5	H5	105.7°	109.6°
C4	C5	N5	110.6°	108.8°
C5	C4	O4	110.0°	109.5°
C5	C4	C3	114.0°	109.5°
C4	C5	H5	102.4°	109.6°
C5	C4	H4	106.9°	109.5°
C5	N5	C1	124.3°	117.6°
N5	C5	H5	113.2°	109.7°
C5	N5	HA	117.9°	121.2°
O4	C4	C3	112.3°	109.4°
O4	C4	H4	108.9°	109.5°
C4	O4	HB	109.5°	114.0°
C4	C3	O3	113.5°	109.5°
C4	C3	C2	112.9°	109.3°
C3	C4	H4	104.3°	109.4°
C4	C3	H3	104.0°	109.5°
O3	C3	C2	109.0°	109.5°
O3	C3	H3	108.2°	109.5°
C3	O3	HC	109.5°	114.0°
C3	C2	O2	116.4°	109.6°
C3	C2	C1	109.9°	108.4°
C2	C3	H3	108.9°	109.5°
C3	C2	H2	105.6°	109.7°
O2	C2	C1	113.3°	109.7°
O2	C2	H2	101.6°	109.7°
C2	O2	HD	109.5°	114.0°
C2	C1	N5	114.7°	117.5°
C2	C1	N1	121.0°	121.2°
C1	C2	H2	109.3°	109.7°
N5	C1	N1	124.3°	121.3°
C1	N5	HA	117.8°	121.2°
C1	N1	C7	126.5°	120.0°
N1	C7	C8	118.0°	109.5°
N1	C7	H7C1	106.7°	109.5°
N1	C7	H7C2	104.8°	109.5°
C7	C8	N2	109.9°	109.4°
C8	C7	H7C1	106.7°	109.5°
C8	C7	H7C2	104.7°	109.5°
C7	C8	H8C1	109.4°	109.5°
C7	C8	H8C2	109.2°	109.4°
N2	C8	H8C1	109.3°	109.5°
N2	C8	H8C2	109.2°	109.5°
C8	N2	H2N1	109.5°	111.0°
C8	N2	H2N2	109.5°	111.0°
H6C1	C6	H6C2	108.2°	109.4°
H7C1	C7	H7C2	116.4°	109.5°
H8C1	C8	H8C2	109.8°	109.5°
H2N1	N2	H2N2	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C6	C5	H6C1	120.0°	120.0°
O6	C6	C5	H6C2	120.6°	120.1°
O6	C6	C5	C4	77.3°	175.0°
O6	C6	C5	N5	48.0°	65.6°
O6	C6	H6C1	H6C2	120.7°	120.0°
O6	C6	C5	H5	169.3°	54.8°
C6	C5	C4	N5	123.9°	119.8°
C6	C5	C4	H5	115.2°	120.3°
C6	C5	N5	H5	116.4°	120.3°
C6	C5	C4	O4	62.3°	63.4°
C6	C5	C4	C3	170.5°	176.6°
C6	C5	N5	C1	157.8°	169.4°
C5	C6	O6	H6	125.4°	180.0°
C5	C6	H6C1	H6C2	120.7°	120.0°
C6	C5	C4	H4	55.7°	56.6°
C6	C5	N5	HA	22.2°	10.6°
C4	C5	N5	H5	114.3°	119.8°
C5	C4	O4	C3	128.2°	120.0°
C5	C4	O4	H4	116.9°	120.0°
C5	C4	C3	H4	116.3°	120.0°
C5	C4	C3	O3	139.7°	177.8°
C5	C4	C3	C2	14.9°	62.2°
C4	C5	N5	C1	28.5°	49.6°
C4	C5	C6	H6C1	42.7°	65.0°
C4	C5	C6	H6C2	162.0°	55.0°
C4	C5	N5	HA	151.6°	130.4°
C5	C4	O4	HB	115.2°	180.0°
C5	C4	C3	H3	103.0°	57.7°
N5	C5	C4	O4	173.8°	176.8°
N5	C5	C4	C3	46.6°	56.8°
C5	N5	C1	C2	23.3°	46.7°
C5	N5	C1	HA	180.0°	180.0°
C5	N5	C1	N1	157.8°	133.3°
N5	C5	C6	H6C1	168.1°	54.3°
N5	C5	C6	H6C2	72.6°	174.3°
N5	C5	C4	H4	68.1°	63.2°
O4	C4	C3	H4	117.7°	120.0°
O4	C4	C3	O3	94.3°	57.8°
O4	C4	C3	C2	140.9°	177.8°
O4	C4	C5	H5	52.9°	56.8°
O4	C4	C3	H3	23.0°	62.3°
C4	C3	O3	C2	126.8°	119.8°
C4	C3	O3	H3	114.9°	120.1°
C4	C3	C2	H3	114.9°	119.9°
C4	C3	C2	O2	163.4°	65.1°
C4	C3	C2	C1	33.0°	54.6°
C3	C4	C5	H5	74.3°	63.1°
C3	C4	O4	HB	13.0°	60.0°
C4	C3	O3	HC	64.3°	180.0°
C4	C3	C2	H2	84.8°	174.4°
O3	C3	C2	H3	117.9°	120.1°
O3	C3	C2	O2	36.2°	54.9°
O3	C3	C2	C1	94.2°	174.6°
O3	C3	C4	H4	23.4°	62.2°
O3	C3	C2	H2	148.0°	65.6°
C3	C2	O2	C1	128.8°	118.9°
C3	C2	O2	H2	114.1°	120.5°
C3	C2	C1	H2	115.4°	119.7°
C3	C2	C1	N5	55.1°	47.6°
C3	C2	C1	N1	126.0°	132.5°
C2	C3	C4	H4	101.4°	57.8°
C2	C3	O3	HC	62.6°	60.2°
C3	C2	O2	HD	136.4°	180.0°
O2	C2	C1	H2	112.5°	120.6°
O2	C2	C1	N5	172.8°	72.1°
O2	C2	C1	N1	6.1°	107.9°
O2	C2	C3	H3	81.6°	175.0°
C2	C1	N5	N1	178.9°	180.0°
C2	C1	N1	C7	165.3°	180.0°
C2	C1	N5	HA	156.6°	133.3°
C1	C2	C3	H3	147.9°	65.3°
C1	C2	O2	HD	7.5°	61.1°
N5	C1	N1	C7	15.9°	0.0°
C1	N5	C5	H5	85.8°	70.3°
N5	C1	C2	H2	60.4°	167.3°
C1	N1	C7	C8	77.1°	115.0°
N1	C1	N5	HA	22.2°	46.7°
N1	C1	C2	H2	118.5°	12.7°
C1	N1	C7	H7C1	162.9°	125.1°
C1	N1	C7	H7C2	38.9°	5.0°
N1	C7	C8	H7C1	120.0°	120.0°
N1	C7	C8	H7C2	116.0°	120.0°
N1	C7	C8	N2	71.1°	180.0°
N1	C7	H7C1	H7C2	116.5°	120.0°
N1	C7	C8	H8C1	168.9°	60.0°
N1	C7	C8	H8C2	48.7°	60.0°
C7	C8	N2	H8C1	120.0°	120.0°
C7	C8	N2	H8C2	119.8°	119.9°
C8	C7	H7C1	H7C2	116.5°	120.0°
C7	C8	H8C1	H8C2	119.8°	120.0°
C7	C8	N2	H2N1	113.1°	180.0°
C7	C8	N2	H2N2	126.9°	56.1°
N2	C8	C7	H7C1	48.9°	60.0°
N2	C8	C7	H7C2	172.9°	60.0°
N2	C8	H8C1	H8C2	119.8°	120.1°
C8	N2	H2N1	H2N2	120.0°	124.0°
H6	O6	C6	H6C1	114.6°	60.1°
H6	O6	C6	H6C2	4.7°	59.9°
H6C1	C6	C5	H5	70.7°	174.7°
H6C2	C6	C5	H5	48.6°	65.3°
H5	C5	C4	H4	171.0°	176.9°
H5	C5	N5	HA	94.2°	109.7°
H4	C4	O4	HB	128.0°	60.0°
H4	C4	C3	H3	140.8°	177.8°
H3	C3	O3	HC	179.1°	59.9°
H3	C3	C2	H2	30.1°	54.5°
H2	C2	O2	HD	109.6°	59.5°
H7C1	C7	C8	H8C1	71.1°	180.0°
H7C1	C7	C8	H8C2	168.7°	60.0°
H7C2	C7	C8	H8C1	52.9°	60.0°
H7C2	C7	C8	H8C2	67.3°	180.0°
H8C1	C8	N2	H2N1	6.9°	60.0°
H8C1	C8	N2	H2N2	113.1°	176.0°
H8C2	C8	N2	H2N1	127.0°	60.1°
H8C2	C8	N2	H2N2	7.0°	63.9°

Definition date:	2008-03-18
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2VQT