D20

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C1	sing	1.46Å	1.47Å
N	HN1	sing	1.00Å	1.02Å
N	HN2	sing	1.00Å	1.02Å
C1	C	sing	1.52Å	1.54Å
C1	C2	sing	1.54Å	1.55Å
C1	H1	sing	1.10Å	1.12Å
C	O	doub	1.22Å	1.26Å
C	O9	sing	1.36Å	1.26Å
C2	C3	sing	1.54Å	1.52Å
C2	H2C1	sing	1.10Å	1.11Å
C2	H2C2	sing	1.10Å	1.11Å
C3	C4	sing	1.53Å	1.56Å
C3	H3C1	sing	1.10Å	1.11Å
C3	H3C2	sing	1.10Å	1.12Å
C4	N5	sing	1.44Å	1.50Å
C4	H4C1	sing	1.10Å	1.11Å
C4	H4C2	sing	1.09Å	1.11Å
N5	C6	sing	1.38Å	1.34Å
N5	H5	sing	1.02Å	1.02Å
C6	N61	sing	1.38Å	1.38Å
C6	N62	doub	1.30Å	1.36Å
N61	C7	sing	1.44Å	1.46Å
N61	H61	sing	1.02Å	1.02Å
N62	H62	sing	1.02Å	1.02Å
C7	C10	sing	1.52Å	1.52Å
C7	H7C1	sing	1.09Å	1.12Å
C7	H7C2	sing	1.09Å	1.12Å
C8	O10	sing	1.42Å	1.46Å
C8	H8C1	sing	1.09Å	1.12Å
C8	H8C2	sing	1.09Å	1.12Å
C8	H8C3	sing	1.09Å	1.12Å
O9	H9	sing	0.98Å	0.95Å
O10	C10	sing	1.42Å	1.44Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.10Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N	HN1	110.3°	117.9°
C1	N	HN2	114.7°	117.9°
N	C1	C	114.7°	108.1°
N	C1	C2	108.5°	111.6°
N	C1	H1	107.2°	107.5°
HN1	N	HN2	110.3°	122.7°
C	C1	C2	111.2°	112.0°
C	C1	H1	104.2°	107.9°
C1	C	O	117.7°	125.5°
C1	C	O9	116.2°	111.9°
C2	C1	H1	110.9°	109.6°
C1	C2	C3	109.9°	114.6°
C1	C2	H2C1	112.0°	108.9°
C1	C2	H2C2	112.0°	108.8°
O	C	O9	126.1°	122.6°
C	O9	H9	116.2°	115.2°
C3	C2	H2C1	112.0°	109.1°
C3	C2	H2C2	112.0°	108.9°
C2	C3	C4	110.3°	112.4°
C2	C3	H3C1	111.9°	109.5°
C2	C3	H3C2	111.9°	110.0°
H2C1	C2	H2C2	98.4°	106.2°
C4	C3	H3C1	111.9°	108.1°
C4	C3	H3C2	111.9°	109.5°
C3	C4	N5	115.1°	111.0°
C3	C4	H4C1	110.1°	109.5°
C3	C4	H4C2	110.2°	110.6°
H3C1	C3	H3C2	98.5°	107.2°
N5	C4	H4C1	110.2°	108.5°
N5	C4	H4C2	110.1°	109.7°
C4	N5	C6	123.4°	125.6°
C4	N5	H5	107.3°	116.1°
H4C1	C4	H4C2	100.1°	107.4°
C6	N5	H5	107.3°	118.4°
N5	C6	N61	118.4°	111.9°
N5	C6	N62	117.8°	125.0°
N61	C6	N62	123.8°	123.1°
C6	N61	C7	123.9°	124.6°
C6	N61	H61	107.1°	118.8°
C6	N62	H62	61.1°	109.8°
C7	N61	H61	107.1°	116.6°
N61	C7	C10	112.8°	109.6°
N61	C7	H7C1	111.0°	108.3°
N61	C7	H7C2	111.0°	108.2°
C10	C7	H7C1	111.0°	111.2°
C10	C7	H7C2	111.0°	110.4°
C7	C10	O10	106.4°	109.4°
C7	C10	H101	113.3°	110.0°
C7	C10	H102	113.4°	111.6°
H7C1	C7	H7C2	99.4°	109.1°
O10	C8	H8C1	113.7°	109.6°
O10	C8	H8C2	113.8°	109.5°
O10	C8	H8C3	105.4°	109.0°
C8	O10	C10	105.4°	111.5°
H8C1	C8	H8C2	96.7°	110.1°
H8C1	C8	H8C3	113.7°	109.3°
H8C2	C8	H8C3	113.7°	109.3°
O10	C10	H101	113.4°	108.0°
O10	C10	H102	113.3°	108.8°
H101	C10	H102	97.1°	109.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N	HN1	HN2	127.7°	165.9°
N	C1	C	C2	123.6°	123.3°
N	C1	C	H1	116.9°	116.0°
N	C1	C2	H1	117.5°	119.0°
N	C1	C	O	2.8°	4.0°
N	C1	C	O9	177.3°	175.9°
N	C1	C2	C3	55.6°	63.8°
N	C1	C2	H2C1	69.7°	58.7°
N	C1	C2	H2C2	179.1°	174.0°
HN1	N	C1	C	54.7°	171.2°
HN1	N	C1	C2	70.3°	65.2°
HN1	N	C1	H1	169.9°	55.0°
HN2	N	C1	C	180.0°	22.2°
HN2	N	C1	C2	55.0°	101.3°
HN2	N	C1	H1	64.9°	138.4°
C	C1	C2	H1	115.5°	119.7°
C1	C	O	O9	179.9°	179.9°
C	C1	C2	C3	71.4°	57.5°
C	C1	C2	H2C1	163.3°	180.0°
C	C1	C2	H2C2	53.8°	64.6°
C1	C	O9	H9	180.0°	179.9°
C2	C1	C	O	120.7°	119.3°
C2	C1	C	O9	59.1°	60.8°
C1	C2	C3	H2C1	125.3°	122.4°
C1	C2	C3	H2C2	125.3°	122.1°
C1	C2	H2C1	H2C2	118.0°	117.0°
C1	C2	C3	C4	177.9°	177.7°
C1	C2	C3	H3C1	52.7°	57.5°
C1	C2	C3	H3C2	56.8°	60.0°
H1	C1	C	O	119.7°	120.0°
H1	C1	C	O9	60.4°	59.9°
H1	C1	C2	C3	173.1°	177.2°
H1	C1	C2	H2C1	47.8°	60.3°
H1	C1	C2	H2C2	61.6°	55.0°
O	C	O9	H9	0.1°	0.0°
C3	C2	H2C1	H2C2	117.9°	117.3°
C2	C3	C4	H3C1	125.3°	121.0°
C2	C3	C4	H3C2	125.3°	122.6°
C2	C3	H3C1	H3C2	117.8°	119.3°
C2	C3	C4	N5	59.7°	179.8°
C2	C3	C4	H4C1	175.0°	60.0°
C2	C3	C4	H4C2	65.5°	58.2°
H2C1	C2	C3	C4	56.8°	60.0°
H2C1	C2	C3	H3C1	177.9°	179.9°
H2C1	C2	C3	H3C2	68.5°	62.3°
H2C2	C2	C3	C4	52.7°	55.6°
H2C2	C2	C3	H3C1	72.6°	64.6°
H2C2	C2	C3	H3C2	177.9°	177.9°
C4	C3	H3C1	H3C2	117.8°	117.9°
C3	C4	N5	H4C1	125.2°	120.4°
C3	C4	N5	H4C2	125.3°	122.5°
C3	C4	H4C1	H4C2	116.0°	120.1°
C3	C4	N5	C6	86.6°	179.6°
C3	C4	N5	H5	148.1°	0.2°
H3C1	C3	C4	N5	65.6°	58.8°
H3C1	C3	C4	H4C1	59.7°	61.0°
H3C1	C3	C4	H4C2	169.2°	179.2°
H3C2	C3	C4	N5	175.0°	57.6°
H3C2	C3	C4	H4C1	49.8°	177.4°
H3C2	C3	C4	H4C2	59.7°	64.4°
N5	C4	H4C1	H4C2	116.0°	118.5°
C4	N5	C6	H5	125.3°	179.9°
C4	N5	C6	N61	0.4°	179.9°
C4	N5	C6	N62	178.0°	0.1°
H4C1	C4	N5	C6	38.7°	60.0°
H4C1	C4	N5	H5	86.6°	120.1°
H4C2	C4	N5	C6	148.2°	57.1°
H4C2	C4	N5	H5	22.9°	122.8°
N5	C6	N61	N62	178.3°	180.0°
N5	C6	N61	C7	179.5°	179.8°
N5	C6	N61	H61	54.3°	0.0°
N5	C6	N62	H62	26.6°	180.0°
H5	N5	C6	N61	125.7°	0.1°
H5	N5	C6	N62	52.8°	179.9°
C6	N61	C7	H61	125.3°	179.8°
N61	C6	N62	H62	155.1°	0.0°
C6	N61	C7	C10	88.9°	178.5°
C6	N61	C7	H7C1	36.4°	60.0°
C6	N61	C7	H7C2	145.9°	58.1°
N62	C6	N61	C7	2.1°	0.2°
N62	C6	N61	H61	127.4°	180.0°
N61	C7	C10	H7C1	125.3°	119.7°
N61	C7	C10	H7C2	125.3°	119.0°
N61	C7	H7C1	H7C2	116.9°	117.5°
N61	C7	C10	O10	75.6°	61.5°
N61	C7	C10	H101	159.1°	179.9°
N61	C7	C10	H102	49.6°	58.8°
H61	N61	C7	C10	145.9°	1.3°
H61	N61	C7	H7C1	88.9°	120.2°
H61	N61	C7	H7C2	20.6°	121.7°
C10	C7	H7C1	H7C2	116.9°	122.0°
C7	C10	O10	C8	166.2°	179.7°
C7	C10	O10	H101	125.3°	119.8°
C7	C10	O10	H102	125.3°	122.1°
C7	C10	H101	H102	119.3°	122.6°
H7C1	C7	C10	O10	49.6°	58.2°
H7C1	C7	C10	H101	75.6°	60.3°
H7C1	C7	C10	H102	174.9°	178.6°
H7C2	C7	C10	O10	159.1°	179.4°
H7C2	C7	C10	H101	33.8°	60.9°
H7C2	C7	C10	H102	75.6°	60.2°
O10	C8	H8C1	H8C2	119.7°	120.5°
O10	C8	H8C1	H8C3	120.7°	119.4°
O10	C8	H8C2	H8C3	120.7°	119.4°
C8	O10	C10	H101	68.5°	60.0°
C8	O10	C10	H102	41.0°	58.2°
H8C1	C8	H8C2	H8C3	119.6°	120.1°
H8C1	C8	O10	C10	54.8°	33.3°
H8C2	C8	O10	C10	54.7°	154.1°
H8C3	C8	O10	C10	180.0°	86.3°
O10	C10	H101	H102	119.2°	118.0°

Definition date:	2006-11-29
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2JAJ