ADH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.55Å
C1	C7	sing	1.50Å	1.45Å
C1	N1	sing	1.47Å	1.50Å
C1	H1	sing	1.09Å	1.12Å
C2	C3	sing	1.53Å	1.51Å
C2	O2	sing	1.43Å	1.43Å
C2	H2	sing	1.09Å	1.12Å
C3	C4	sing	1.53Å	1.55Å
C3	O3	sing	1.43Å	1.43Å
C3	H3	sing	1.09Å	1.11Å
C4	C5	sing	1.50Å	1.44Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	C6	sing	1.51Å	1.51Å
C5	C7	doub	1.29Å	1.44Å
C6	O6	sing	1.43Å	1.43Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	H71	sing	1.08Å	1.10Å
N1	HN12	sing	1.01Å	1.02Å
N1	HN22	sing	1.01Å	1.02Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C7	113.4°	110.0°
C2	C1	N1	108.8°	109.4°
C2	C1	H1	107.8°	109.4°
C1	C2	C3	107.4°	108.6°
C1	C2	O2	107.7°	109.7°
C1	C2	H2	113.5°	109.6°
C7	C1	N1	111.2°	109.4°
C7	C1	H1	105.3°	109.4°
C1	C7	C5	122.4°	124.1°
C1	C7	H71	119.2°	117.9°
N1	C1	H1	110.2°	109.3°
C1	N1	HN12	108.8°	106.7°
C1	N1	HN22	112.4°	106.7°
C3	C2	O2	113.7°	109.7°
C3	C2	H2	107.5°	109.7°
C2	C3	C4	107.5°	108.4°
C2	C3	O3	111.2°	109.9°
C2	C3	H3	109.0°	109.6°
O2	C2	H2	107.1°	109.7°
C2	O2	HO2	107.7°	106.8°
C4	C3	O3	107.3°	109.6°
C4	C3	H3	112.8°	109.7°
C3	C4	C5	117.0°	110.1°
C3	C4	H41	109.5°	109.4°
C3	C4	H42	109.4°	109.4°
O3	C3	H3	109.1°	109.6°
C3	O3	HO3	111.2°	106.8°
C5	C4	H41	109.5°	109.4°
C5	C4	H42	109.5°	109.3°
C4	C5	C6	115.4°	118.0°
C4	C5	C7	118.6°	124.0°
H41	C4	H42	100.7°	109.3°
C6	C5	C7	104.2°	118.0°
C5	C6	O6	115.4°	109.5°
C5	C6	H61	110.0°	109.5°
C5	C6	H62	110.1°	109.6°
C5	C7	H71	118.5°	118.0°
O6	C6	H61	110.0°	109.4°
O6	C6	H62	110.0°	109.5°
C6	O6	HO6	115.5°	106.8°
H61	C6	H62	100.2°	109.4°
HN12	N1	HN22	112.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C7	N1	123.0°	120.2°
C2	C1	C7	H1	117.6°	120.1°
C2	C1	N1	H1	118.0°	119.7°
C1	C2	C3	O2	119.1°	119.8°
C1	C2	C3	H2	122.5°	119.7°
C1	C2	O2	H2	122.4°	120.4°
C1	C2	C3	C4	64.0°	67.5°
C1	C2	C3	O3	178.8°	172.8°
C1	C2	C3	H3	58.5°	52.2°
C2	C1	C7	C5	22.1°	17.1°
C2	C1	C7	H71	157.9°	163.0°
C2	C1	N1	HN12	180.0°	179.8°
C2	C1	N1	HN22	54.7°	65.9°
C1	C2	O2	HO2	180.0°	60.8°
C7	C1	N1	H1	116.4°	119.7°
C7	C1	C2	C3	53.1°	49.5°
C7	C1	C2	O2	175.9°	169.3°
C7	C1	C2	H2	65.6°	70.3°
C1	C7	C5	C4	3.1°	0.6°
C1	C7	C5	C6	133.0°	179.5°
C1	C7	C5	H71	180.0°	179.9°
C7	C1	N1	HN12	54.4°	59.7°
C7	C1	N1	HN22	70.9°	173.6°
N1	C1	C2	C3	71.2°	70.7°
N1	C1	C2	O2	51.6°	49.1°
N1	C1	C2	H2	170.1°	169.5°
N1	C1	C7	C5	100.9°	103.0°
N1	C1	C7	H71	79.1°	76.9°
C1	N1	HN12	HN22	125.3°	113.9°
H1	C1	C2	C3	169.3°	169.6°
H1	C1	C2	O2	67.9°	70.6°
H1	C1	C2	H2	50.6°	49.8°
H1	C1	C7	C5	139.7°	137.3°
H1	C1	C7	H71	40.3°	42.8°
H1	C1	N1	HN12	61.9°	60.1°
H1	C1	N1	HN22	172.7°	53.8°
C3	C2	O2	H2	118.6°	120.5°
C2	C3	C4	O3	119.7°	119.9°
C2	C3	C4	H3	120.2°	119.7°
C2	C3	O3	H3	120.2°	120.6°
C2	C3	C4	C5	47.6°	49.5°
C2	C3	C4	H41	172.9°	70.8°
C2	C3	C4	H42	77.7°	169.6°
C3	C2	O2	HO2	61.1°	180.0°
C2	C3	O3	HO3	180.0°	179.1°
O2	C2	C3	C4	176.9°	172.7°
O2	C2	C3	O3	59.7°	52.9°
O2	C2	C3	H3	60.6°	67.6°
H2	C2	C3	C4	58.5°	52.2°
H2	C2	C3	O3	58.7°	67.5°
H2	C2	C3	H3	179.0°	171.9°
H2	C2	O2	HO2	57.5°	59.5°
C4	C3	O3	H3	122.5°	120.4°
C3	C4	C5	H41	125.3°	120.2°
C3	C4	C5	H42	125.2°	120.2°
C3	C4	H41	H42	115.2°	119.7°
C3	C4	C5	C6	140.8°	162.9°
C3	C4	C5	C7	16.2°	17.2°
C4	C3	O3	HO3	62.7°	60.1°
O3	C3	C4	C5	167.3°	169.4°
O3	C3	C4	H41	67.5°	49.1°
O3	C3	C4	H42	42.0°	70.5°
H3	C3	C4	C5	72.6°	70.2°
H3	C3	C4	H41	52.7°	169.5°
H3	C3	C4	H42	162.2°	49.9°
H3	C3	O3	HO3	59.8°	60.4°
C5	C4	H41	H42	115.3°	119.7°
C4	C5	C6	C7	131.8°	179.9°
C4	C5	C6	O6	45.0°	180.0°
C4	C5	C6	H61	170.2°	60.1°
C4	C5	C6	H62	80.2°	59.9°
C4	C5	C7	H71	176.9°	179.5°
H41	C4	C5	C6	93.9°	76.9°
H41	C4	C5	C7	141.4°	103.0°
H42	C4	C5	C6	15.6°	42.8°
H42	C4	C5	C7	109.1°	137.4°
C5	C6	O6	H61	125.3°	120.0°
C5	C6	O6	H62	125.3°	120.1°
C5	C6	H61	H62	115.9°	120.1°
C6	C5	C7	H71	47.0°	0.4°
C5	C6	O6	HO6	180.0°	179.9°
C7	C5	C6	O6	86.9°	0.1°
C7	C5	C6	H61	38.4°	120.0°
C7	C5	C6	H62	147.9°	120.0°
O6	C6	H61	H62	115.8°	120.0°
H61	C6	O6	HO6	54.8°	60.0°
H62	C6	O6	HO6	54.7°	59.9°

Definition date:	2001-11-30
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1KCK