HYH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C5	sing	1.35Å	1.30Å
C5	O1	doub	1.21Å	1.23Å
C5	C4	sing	1.51Å	1.53Å
C3	C4	sing	1.53Å	1.52Å
C3	C2	sing	1.53Å	1.55Å
C1	C2	sing	1.53Å	1.48Å
C1	C	sing	1.53Å	1.52Å
C4	O	sing	1.43Å	1.47Å
N	H1	sing	0.97Å	1.00Å
N	H2	sing	0.97Å	1.00Å
C4	H3	sing	1.09Å	1.10Å
O	H4	sing	0.97Å	0.95Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C5	O1	114.1°	120.0°
N	C5	C4	125.6°	120.0°
C5	N	H1	120.0°	120.0°
C5	N	H2	120.0°	120.0°
O1	C5	C4	120.3°	120.0°
C5	C4	C3	104.6°	109.5°
C5	C4	O	112.6°	109.5°
C5	C4	H3	105.6°	109.5°
C4	C3	C2	114.3°	109.5°
C3	C4	O	121.0°	109.5°
C3	C4	H3	105.6°	109.5°
C4	C3	H5	108.2°	109.4°
C4	C3	H6	108.3°	109.5°
C3	C2	C1	113.3°	109.4°
C2	C3	H5	108.2°	109.5°
C2	C3	H6	108.2°	109.5°
C3	C2	H7	108.5°	109.4°
C3	C2	H8	108.5°	109.5°
C2	C1	C	113.6°	109.4°
C1	C2	H7	108.5°	109.5°
C1	C2	H8	108.5°	109.5°
C2	C1	H9	108.4°	109.5°
C2	C1	H10	108.4°	109.5°
C	C1	H9	108.4°	109.5°
C	C1	H10	108.4°	109.5°
C1	C	H11	109.5°	109.4°
C1	C	H12	109.4°	109.5°
C1	C	H13	109.5°	109.4°
O	C4	H3	106.2°	109.4°
C4	O	H4	109.5°	114.0°
H1	N	H2	120.0°	120.0°
H5	C3	H6	109.5°	109.4°
H7	C2	H8	109.5°	109.5°
H9	C1	H10	109.5°	109.5°
H11	C	H12	109.4°	109.5°
H11	C	H13	109.5°	109.5°
H12	C	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C5	O1	C4	178.9°	179.7°
N	C5	C4	C3	62.6°	64.8°
N	C5	C4	O	70.7°	175.2°
C5	N	H1	H2	180.0°	180.0°
N	C5	C4	H3	173.9°	55.3°
O1	C5	C4	C3	118.7°	115.0°
O1	C5	C4	O	108.1°	5.0°
O1	C5	N	H1	0.0°	0.0°
O1	C5	N	H2	180.0°	180.0°
O1	C5	C4	H3	7.4°	125.0°
C5	C4	C3	O	128.3°	120.0°
C5	C4	C3	H3	111.3°	120.0°
C5	C4	C3	C2	157.9°	175.0°
C5	C4	O	H3	115.2°	120.0°
C4	C5	N	H1	178.8°	179.8°
C4	C5	N	H2	1.2°	0.3°
C5	C4	O	H4	180.0°	60.0°
C5	C4	C3	H5	37.2°	55.0°
C5	C4	C3	H6	81.4°	65.0°
C4	C3	C2	H5	120.7°	120.0°
C4	C3	C2	H6	120.7°	120.0°
C4	C3	C2	C1	166.8°	180.0°
C3	C4	O	H3	120.1°	120.0°
C3	C4	O	H4	55.3°	60.0°
C4	C3	H5	H6	117.8°	120.0°
C4	C3	C2	H7	46.3°	60.0°
C4	C3	C2	H8	72.6°	60.0°
C3	C2	C1	H7	120.6°	120.0°
C3	C2	C1	H8	120.6°	120.0°
C3	C2	C1	C	176.9°	NaN°
C2	C3	C4	O	73.8°	65.0°
C2	C3	C4	H3	46.6°	54.9°
C2	C3	H5	H6	117.8°	120.0°
C3	C2	H7	H8	118.3°	120.0°
C3	C2	C1	H9	62.5°	60.0°
C3	C2	C1	H10	56.3°	60.0°
C2	C1	C	H9	120.6°	120.0°
C2	C1	C	H10	120.6°	120.0°
C1	C2	C3	H5	72.5°	60.0°
C1	C2	C3	H6	46.1°	60.0°
C1	C2	H7	H8	118.2°	120.0°
C2	C1	H9	H10	118.1°	120.0°
C2	C1	C	H11	180.0°	60.0°
C2	C1	C	H12	60.0°	60.0°
C2	C1	C	H13	60.0°	180.0°
C	C1	C2	H7	56.3°	60.0°
C	C1	C2	H8	62.5°	60.0°
C	C1	H9	H10	118.2°	120.0°
C1	C	H11	H12	120.0°	120.0°
C1	C	H11	H13	120.0°	119.9°
C1	C	H12	H13	120.0°	120.0°
O	C4	C3	H5	165.5°	175.0°
O	C4	C3	H6	46.9°	55.0°
H3	C4	O	H4	64.9°	180.0°
H3	C4	C3	H5	74.0°	65.1°
H3	C4	C3	H6	167.3°	175.0°
H5	C3	C2	H7	167.0°	180.0°
H5	C3	C2	H8	48.1°	60.0°
H6	C3	C2	H7	74.4°	60.0°
H6	C3	C2	H8	166.7°	180.0°
H7	C2	C1	H9	176.9°	180.0°
H7	C2	C1	H10	64.3°	60.0°
H8	C2	C1	H9	58.1°	60.0°
H8	C2	C1	H10	176.9°	180.0°
H9	C1	C	H11	59.4°	180.0°
H9	C1	C	H12	179.4°	60.0°
H9	C1	C	H13	60.6°	60.1°
H10	C1	C	H11	59.4°	60.0°
H10	C1	C	H12	60.6°	180.0°
H10	C1	C	H13	179.4°	60.0°
H11	C	H12	H13	120.0°	120.0°

Release date:	2014-09-24
Definition date:	2014-09-08
Last modified:	2014-09-19
Release status:	REL
Processing site:	RCSB
Derived from:	4R9K