YH6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N08	C02	sing	1.37Å	1.40Å
N03	C02	doub	1.31Å	1.32Å
N03	C04	sing	1.35Å	1.36Å
C02	N01	sing	1.36Å	1.34Å
C04	N09	sing	1.34Å	1.36Å	Aromatic
C04	C05	doub	1.40Å	1.39Å	Aromatic
N01	C06	sing	1.35Å	1.33Å
N09	C10	doub	1.32Å	1.34Å	Aromatic
C05	C06	sing	1.40Å	1.41Å
C05	N11	sing	1.39Å	1.37Å	Aromatic
C06	O07	doub	1.22Å	1.36Å
C10	N11	sing	1.36Å	1.34Å	Aromatic
C10	S12	sing	1.76Å	1.73Å
S12	C13	sing	1.81Å	1.78Å
C20	C21	doub	1.38Å	1.39Å	Aromatic
C20	C19	sing	1.38Å	1.39Å	Aromatic
C22	C19	sing	1.51Å	1.49Å
C21	C15	sing	1.40Å	1.39Å	Aromatic
C19	C18	doub	1.38Å	1.39Å	Aromatic
C15	C14	sing	1.47Å	1.50Å
C15	C17	doub	1.40Å	1.39Å	Aromatic
C18	C17	sing	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.51Å	1.50Å
C14	O16	doub	1.21Å	1.22Å
N01	H1	sing	0.97Å	1.00Å
N08	H2	sing	0.97Å	1.00Å
N08	H3	sing	0.97Å	1.00Å
N11	H4	sing	0.97Å	1.00Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C22	H10	sing	1.09Å	1.10Å
C22	H11	sing	1.09Å	1.10Å
C22	H12	sing	1.09Å	1.10Å
C20	H13	sing	1.08Å	1.08Å
C21	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N08	C02	N03	118.8°	119.1°
N08	C02	N01	117.8°	119.0°
C02	N08	H2	120.0°	120.0°
C02	N08	H3	120.0°	119.9°
C02	N03	C04	116.5°	121.0°
N03	C02	N01	123.3°	122.0°
N03	C04	N09	130.0°	133.5°
N03	C04	C05	122.4°	119.2°
C02	N01	C06	122.6°	120.3°
C02	N01	H1	118.7°	119.9°
N09	C04	C05	107.6°	107.2°
C04	N09	C10	106.6°	110.0°
C04	C05	C06	118.4°	119.1°
C04	C05	N11	107.9°	106.3°
N01	C06	C05	116.7°	118.5°
N01	C06	O07	120.5°	120.8°
C06	N01	H1	118.7°	119.8°
N09	C10	N11	112.4°	109.6°
N09	C10	S12	122.5°	125.2°
C06	C05	N11	133.7°	134.6°
C05	C06	O07	122.8°	120.8°
C05	N11	C10	105.4°	106.9°
C05	N11	H4	127.3°	126.6°
N11	C10	S12	125.0°	125.2°
C10	N11	H4	127.3°	126.6°
C10	S12	C13	99.8°	100.0°
S12	C13	C14	120.0°	109.5°
S12	C13	H6	106.8°	109.5°
S12	C13	H7	106.8°	109.5°
C21	C20	C19	120.5°	120.1°
C20	C21	C15	119.7°	119.8°
C21	C20	H13	119.8°	119.9°
C20	C21	H14	120.1°	120.1°
C20	C19	C22	120.6°	119.8°
C20	C19	C18	119.7°	120.3°
C19	C20	H13	119.8°	120.0°
C22	C19	C18	119.7°	119.9°
C19	C22	H10	109.5°	109.5°
C19	C22	H11	109.5°	109.5°
C19	C22	H12	109.4°	109.4°
C21	C15	C14	122.3°	120.2°
C21	C15	C17	119.5°	119.7°
C15	C21	H14	120.2°	120.1°
C19	C18	C17	119.9°	120.2°
C19	C18	H9	120.1°	119.9°
C14	C15	C17	118.1°	120.2°
C15	C14	C13	122.3°	120.0°
C15	C14	O16	118.0°	120.0°
C15	C17	C18	120.7°	119.8°
C15	C17	H8	119.6°	120.1°
C18	C17	H8	119.7°	120.1°
C17	C18	H9	120.1°	119.9°
C13	C14	O16	119.6°	120.0°
C14	C13	H6	106.8°	109.5°
C14	C13	H7	106.8°	109.4°
H2	N08	H3	120.0°	120.0°
H6	C13	H7	109.4°	109.5°
H10	C22	H11	109.5°	109.5°
H10	C22	H12	109.5°	109.5°
H11	C22	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N08	C02	N03	N01	179.7°	180.0°
N08	C02	N03	C04	179.5°	180.0°
N08	C02	N01	C06	179.7°	180.0°
N08	C02	N01	H1	0.3°	0.0°
C02	N08	H2	H3	180.0°	179.9°
C02	N03	C04	N09	179.2°	179.9°
C02	N03	C04	C05	0.4°	0.2°
N03	C02	N01	C06	0.6°	0.1°
N03	C02	N01	H1	179.4°	180.0°
N03	C02	N08	H2	0.0°	180.0°
N03	C02	N08	H3	180.0°	0.1°
C04	N03	C02	N01	0.2°	0.0°
N03	C04	N09	C05	179.6°	179.9°
N03	C04	N09	C10	179.8°	179.9°
N03	C04	C05	C06	0.1°	0.5°
N03	C04	C05	N11	180.0°	179.9°
C02	N01	C06	H1	180.0°	180.0°
C02	N01	C06	C05	1.1°	0.3°
C02	N01	C06	O07	179.7°	180.0°
N01	C02	N08	H2	179.8°	0.0°
N01	C02	N08	H3	0.3°	180.0°
N09	C04	C05	C06	179.8°	179.6°
N09	C04	C05	N11	0.4°	0.2°
C04	N09	C10	N11	0.6°	0.3°
C04	N09	C10	S12	177.3°	179.9°
C04	C05	C06	N01	0.9°	0.6°
C05	C04	N09	C10	0.6°	0.3°
C04	C05	C06	N11	179.8°	179.2°
C04	C05	C06	O07	179.9°	179.8°
C04	C05	N11	C10	0.0°	0.0°
C04	C05	N11	H4	180.0°	179.9°
N01	C06	C05	O07	179.2°	179.7°
N01	C06	C05	N11	179.3°	179.8°
N09	C10	N11	C05	0.3°	0.1°
N09	C10	N11	S12	176.7°	179.7°
N09	C10	S12	C13	90.6°	0.0°
N09	C10	N11	H4	179.7°	179.8°
C06	C05	N11	C10	179.8°	179.3°
C05	C06	N01	H1	178.9°	179.7°
C06	C05	N11	H4	0.2°	0.8°
N11	C05	C06	O07	0.1°	0.6°
C05	N11	C10	H4	180.0°	179.9°
C05	N11	C10	S12	177.0°	179.8°
O07	C06	N01	H1	0.3°	0.1°
N11	C10	S12	C13	85.7°	179.7°
C10	S12	C13	C14	35.2°	180.0°
S12	C10	N11	H4	3.0°	0.1°
C10	S12	C13	H6	86.3°	60.0°
C10	S12	C13	H7	156.7°	60.1°
S12	C13	C14	C15	105.7°	180.0°
S12	C13	C14	H6	121.5°	120.0°
S12	C13	C14	H7	121.5°	120.0°
S12	C13	C14	O16	75.2°	0.0°
S12	C13	H6	H7	115.2°	120.0°
C21	C20	C19	H13	180.0°	179.5°
C21	C20	C19	C22	179.9°	179.8°
C20	C21	C15	H14	180.0°	179.5°
C21	C20	C19	C18	0.1°	0.2°
C20	C21	C15	C14	180.0°	179.8°
C20	C21	C15	C17	0.1°	0.5°
C20	C19	C22	C18	179.9°	179.9°
C19	C20	C21	C15	0.1°	0.5°
C20	C19	C18	C17	0.1°	0.0°
C20	C19	C18	H9	180.0°	180.0°
C20	C19	C22	H10	90.0°	90.0°
C20	C19	C22	H11	150.0°	30.0°
C20	C19	C22	H12	30.0°	150.0°
C19	C20	C21	H14	179.9°	180.0°
C22	C19	C18	C17	179.9°	180.0°
C22	C19	C18	H9	0.1°	0.0°
C19	C22	H10	H11	120.0°	120.0°
C19	C22	H10	H12	120.0°	120.0°
C19	C22	H11	H12	120.0°	120.0°
C22	C19	C20	H13	0.0°	0.2°
C21	C15	C14	C17	179.8°	179.7°
C21	C15	C17	C18	0.3°	0.3°
C21	C15	C14	C13	15.6°	0.3°
C21	C15	C14	O16	165.3°	179.8°
C21	C15	C17	H8	179.7°	179.8°
C15	C21	C20	H13	179.9°	180.0°
C19	C18	C17	C15	0.3°	0.0°
C19	C18	C17	H9	180.0°	180.0°
C19	C18	C17	H8	179.7°	179.9°
C18	C19	C22	H10	90.0°	90.0°
C18	C19	C22	H11	30.1°	150.0°
C18	C19	C22	H12	150.0°	30.0°
C18	C19	C20	H13	179.9°	179.7°
C14	C15	C17	C18	179.9°	180.0°
C15	C14	C13	O16	179.1°	180.0°
C15	C14	C13	H6	132.8°	60.0°
C15	C14	C13	H7	15.8°	60.0°
C14	C15	C17	H8	0.1°	0.1°
C14	C15	C21	H14	0.0°	0.3°
C15	C17	C18	H8	180.0°	179.9°
C17	C15	C14	C13	164.5°	180.0°
C17	C15	C14	O16	14.6°	0.0°
C15	C17	C18	H9	179.7°	180.0°
C17	C15	C21	H14	179.9°	180.0°
C14	C13	H6	H7	115.3°	120.0°
O16	C14	C13	H6	46.3°	120.0°
O16	C14	C13	H7	163.3°	119.9°
H8	C17	C18	H9	0.3°	0.1°
H10	C22	H11	H12	120.0°	120.0°
H13	C20	C21	H14	0.1°	0.5°

Release date:	2014-04-02
Definition date:	2013-09-03
Last modified:	2014-03-28
Release status:	REL
Processing site:	RCSB
Derived from:	4M5I