YH5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	O3	sing	1.43Å	1.43Å
O3	C11	sing	1.36Å	1.39Å
C11	C10	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.39Å	1.38Å	Aromatic
C10	C9	sing	1.37Å	1.37Å	Aromatic
C12	C13	doub	1.37Å	1.37Å	Aromatic
C9	C8	doub	1.40Å	1.37Å	Aromatic
C13	C8	sing	1.40Å	1.38Å	Aromatic
C8	C7	sing	1.47Å	1.47Å
O1	C1	doub	1.22Å	1.22Å
C7	O2	doub	1.21Å	1.23Å
C7	C6	sing	1.51Å	1.51Å
C6	S1	sing	1.81Å	1.79Å
C1	C2	sing	1.41Å	1.44Å
C1	N4	sing	1.35Å	1.39Å
N1	C2	sing	1.36Å	1.38Å	Aromatic
N1	C3	doub	1.31Å	1.33Å	Aromatic
C2	C4	doub	1.40Å	1.37Å	Aromatic
N4	C5	sing	1.36Å	1.42Å
C3	S1	sing	1.76Å	1.75Å
C3	N2	sing	1.37Å	1.37Å	Aromatic
C4	N2	sing	1.37Å	1.36Å	Aromatic
C4	N3	sing	1.34Å	1.34Å
C5	N3	doub	1.31Å	1.30Å
C5	N5	sing	1.37Å	1.38Å
C10	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
N2	H8	sing	0.97Å	1.00Å
N4	H9	sing	0.97Å	1.00Å
N5	H10	sing	0.97Å	1.00Å
N5	H11	sing	0.97Å	1.00Å
C6	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	O3	C11	111.1°	117.0°
O3	C14	H5	109.5°	109.5°
O3	C14	H6	109.5°	109.5°
O3	C14	H7	109.5°	109.5°
O3	C11	C10	123.1°	119.9°
O3	C11	C12	115.8°	119.9°
C10	C11	C12	121.1°	120.2°
C11	C10	C9	119.3°	120.1°
C11	C10	H2	120.3°	119.9°
C11	C12	C13	119.4°	120.1°
C11	C12	H3	120.3°	120.0°
C10	C9	C8	119.7°	119.9°
C9	C10	H2	120.4°	119.9°
C10	C9	H14	120.1°	120.0°
C12	C13	C8	119.8°	119.9°
C13	C12	H3	120.3°	119.9°
C12	C13	H4	120.1°	120.1°
C9	C8	C13	120.8°	119.8°
C9	C8	C7	117.4°	120.1°
C8	C9	H14	120.2°	120.1°
C13	C8	C7	121.8°	120.2°
C8	C13	H4	120.1°	120.0°
C8	C7	O2	119.8°	120.0°
C8	C7	C6	112.9°	120.1°
O1	C1	C2	124.9°	120.8°
O1	C1	N4	125.1°	120.8°
O2	C7	C6	127.3°	120.0°
C7	C6	S1	113.1°	109.5°
C7	C6	H12	108.6°	109.4°
C7	C6	H13	108.6°	109.5°
C6	S1	C3	101.2°	100.0°
S1	C6	H12	108.5°	109.5°
S1	C6	H13	108.5°	109.5°
C2	C1	N4	110.0°	118.4°
C1	C2	N1	128.9°	134.0°
C1	C2	C4	118.6°	118.6°
C1	N4	C5	126.0°	120.3°
C1	N4	H9	117.0°	119.8°
C2	N1	C3	102.1°	109.2°
N1	C2	C4	112.6°	107.4°
N1	C3	S1	130.5°	125.2°
N1	C3	N2	113.9°	109.6°
C2	C4	N2	105.6°	106.3°
C2	C4	N3	130.5°	119.7°
N4	C5	N3	123.0°	121.8°
N4	C5	N5	114.7°	119.1°
C5	N4	H9	117.0°	119.9°
S1	C3	N2	115.7°	125.2°
C3	N2	C4	105.9°	107.4°
C3	N2	H8	127.0°	126.2°
N2	C4	N3	124.0°	134.0°
C4	N2	H8	127.0°	126.3°
C4	N3	C5	111.9°	121.1°
N3	C5	N5	122.3°	119.1°
C5	N5	H10	120.0°	120.0°
C5	N5	H11	120.0°	120.0°
H5	C14	H6	109.5°	109.5°
H5	C14	H7	109.5°	109.5°
H6	C14	H7	109.4°	109.4°
H10	N5	H11	120.0°	120.0°
H12	C6	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	O3	C11	C10	39.5°	180.0°
C14	O3	C11	C12	140.6°	0.0°
O3	C14	H5	H6	120.0°	120.0°
O3	C14	H5	H7	120.0°	120.0°
O3	C14	H6	H7	120.0°	120.0°
O3	C11	C10	C12	180.0°	180.0°
O3	C11	C10	C9	180.0°	180.0°
O3	C11	C12	C13	179.9°	180.0°
O3	C11	C10	H2	0.0°	0.3°
O3	C11	C12	H3	0.1°	0.0°
C11	O3	C14	H5	180.0°	60.0°
C11	O3	C14	H6	60.0°	180.0°
C11	O3	C14	H7	60.0°	60.1°
C11	C10	C9	H2	180.0°	179.7°
C10	C11	C12	C13	0.1°	0.1°
C11	C10	C9	C8	0.0°	0.0°
C10	C11	C12	H3	179.9°	180.0°
C11	C10	C9	H14	180.0°	179.7°
C12	C11	C10	C9	0.0°	0.0°
C11	C12	C13	H3	180.0°	180.0°
C11	C12	C13	C8	0.1°	0.1°
C12	C11	C10	H2	180.0°	179.8°
C11	C12	C13	H4	179.9°	179.9°
C10	C9	C8	H14	180.0°	179.7°
C10	C9	C8	C13	0.0°	0.0°
C10	C9	C8	C7	179.8°	180.0°
C12	C13	C8	C9	0.1°	0.0°
C12	C13	C8	H4	180.0°	179.8°
C12	C13	C8	C7	179.8°	180.0°
C9	C8	C13	C7	179.8°	180.0°
C9	C8	C7	O2	0.9°	180.0°
C9	C8	C7	C6	179.1°	0.0°
C8	C9	C10	H2	180.0°	179.7°
C9	C8	C13	H4	179.9°	179.9°
C13	C8	C7	O2	178.9°	0.0°
C13	C8	C7	C6	1.1°	180.0°
C8	C13	C12	H3	179.9°	180.0°
C13	C8	C9	H14	180.0°	179.7°
C8	C7	O2	C6	179.9°	179.9°
C8	C7	C6	S1	162.3°	180.0°
C7	C8	C13	H4	0.2°	0.1°
C8	C7	C6	H12	77.2°	60.0°
C8	C7	C6	H13	41.7°	59.9°
C7	C8	C9	H14	0.2°	0.3°
O1	C1	C2	N4	179.7°	179.8°
O1	C1	C2	N1	0.8°	0.2°
O1	C1	C2	C4	178.8°	179.8°
O1	C1	N4	C5	178.7°	179.7°
O1	C1	N4	H9	1.3°	0.2°
O2	C7	C6	S1	17.8°	0.0°
O2	C7	C6	H12	102.8°	120.0°
O2	C7	C6	H13	138.3°	120.0°
C7	C6	S1	H12	120.6°	119.9°
C7	C6	S1	H13	120.6°	120.1°
C7	C6	S1	C3	102.0°	179.9°
C7	C6	H12	H13	118.3°	119.9°
C6	S1	C3	N1	2.5°	0.1°
C6	S1	C3	N2	177.7°	179.9°
S1	C6	H12	H13	118.3°	120.0°
C1	C2	N1	C4	179.6°	180.0°
C1	C2	N1	C3	179.1°	180.0°
C2	C1	N4	C5	1.0°	0.0°
C1	C2	C4	N2	179.2°	180.0°
C1	C2	C4	N3	0.7°	0.0°
C2	C1	N4	H9	179.0°	180.0°
N4	C1	C2	N1	179.5°	180.0°
N4	C1	C2	C4	0.9°	0.0°
C1	N4	C5	H9	180.0°	180.0°
C1	N4	C5	N3	0.8°	0.1°
C1	N4	C5	N5	178.4°	180.0°
C2	N1	C3	S1	179.3°	179.9°
C2	N1	C3	N2	0.5°	0.0°
N1	C2	C4	N2	0.4°	0.0°
N1	C2	C4	N3	179.7°	180.0°
C3	N1	C2	C4	0.6°	0.0°
N1	C3	S1	N2	179.8°	179.9°
N1	C3	N2	C4	0.3°	0.1°
N1	C3	N2	H8	179.8°	180.0°
C2	C4	N2	C3	0.1°	0.1°
C2	C4	N2	N3	179.9°	179.9°
C2	C4	N3	C5	0.3°	0.1°
C2	C4	N2	H8	179.9°	180.0°
N4	C5	N3	C4	0.4°	0.1°
N4	C5	N3	N5	179.2°	179.9°
N4	C5	N5	H10	179.3°	0.0°
N4	C5	N5	H11	0.8°	180.0°
S1	C3	N2	C4	179.5°	179.9°
S1	C3	N2	H8	0.4°	0.1°
C3	S1	C6	H12	18.6°	60.0°
C3	S1	C6	H13	137.5°	60.0°
C3	N2	C4	H8	180.0°	179.9°
C3	N2	C4	N3	180.0°	180.0°
N2	C4	N3	C5	179.6°	179.9°
C4	N3	C5	N5	178.8°	180.0°
N3	C4	N2	H8	0.0°	0.1°
N3	C5	N4	H9	179.2°	179.9°
N3	C5	N5	H10	0.0°	179.9°
N3	C5	N5	H11	180.0°	0.1°
N5	C5	N4	H9	1.6°	0.0°
C5	N5	H10	H11	180.0°	180.0°
H2	C10	C9	H14	0.0°	0.0°
H3	C12	C13	H4	0.1°	0.1°
H5	C14	H6	H7	120.0°	120.0°

Release date:	2014-04-02
Definition date:	2013-09-04
Last modified:	2016-12-08
Release status:	REL
Processing site:	RCSB
Derived from:	5U13