A1H05

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.44Å
O4	C5	sing	1.43Å	1.41Å
C1	C4	sing	1.54Å	1.50Å
C1	C2	sing	1.55Å	1.47Å
O2	C2	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.52Å
C4	N1	sing	1.48Å	1.48Å
C5	O3	sing	1.43Å	1.40Å
C2	C3	sing	1.55Å	1.52Å
C3	N1	sing	1.49Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
N1	H5	sing	1.01Å	1.00Å
O1	H7	sing	0.97Å	0.95Å
O2	H8	sing	0.97Å	0.95Å
O3	H10	sing	0.97Å	0.95Å
O4	H11	sing	0.97Å	0.95Å
C5	H9	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C4	108.0°	110.3°
O1	C1	C2	111.5°	110.3°
O1	C1	H1	110.9°	110.4°
C1	O1	H7	109.5°	114.0°
O4	C5	C4	112.3°	109.5°
O4	C5	O3	108.2°	109.4°
C5	O4	H11	109.5°	114.0°
O4	C5	H9	109.5°	109.5°
C4	C1	C2	105.8°	105.1°
C1	C4	C5	112.4°	109.9°
C1	C4	N1	104.8°	107.1°
C4	C1	H1	110.0°	110.3°
C1	C4	H6	109.2°	109.9°
C1	C2	O2	114.0°	110.7°
C1	C2	C3	103.1°	102.9°
C2	C1	H1	110.4°	110.3°
C1	C2	H2	108.8°	110.7°
O2	C2	C3	113.0°	110.7°
O2	C2	H2	109.5°	110.8°
C2	O2	H8	109.5°	114.0°
C5	C4	N1	112.0°	109.9°
C4	C5	O3	109.3°	109.5°
C5	C4	H6	108.9°	109.9°
C4	C5	H9	108.0°	109.5°
C4	N1	C3	107.3°	105.8°
N1	C4	H6	109.4°	110.0°
C4	N1	H5	110.0°	111.0°
C5	O3	H10	109.5°	114.1°
O3	C5	H9	109.6°	109.5°
C2	C3	N1	99.3°	103.3°
C3	C2	H2	108.2°	110.7°
C2	C3	H3	112.0°	110.6°
C2	C3	H4	112.0°	110.7°
N1	C3	H3	111.9°	110.6°
N1	C3	H4	112.0°	110.7°
C3	N1	H5	110.0°	111.0°
H3	C3	H4	109.4°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C4	C2	119.5°	118.9°
O1	C1	C4	H1	121.2°	122.3°
O1	C1	C2	H1	123.8°	122.2°
O1	C1	C2	O2	43.6°	21.4°
O1	C1	C4	C5	134.3°	120.6°
O1	C1	C4	N1	103.8°	120.1°
O1	C1	C2	C3	79.3°	97.0°
O1	C1	C2	H2	166.0°	144.7°
O1	C1	C4	H6	13.3°	0.6°
O4	C5	C4	C1	62.3°	60.0°
O4	C5	C4	O3	120.1°	120.0°
O4	C5	C4	H9	120.8°	120.0°
O4	C5	C4	N1	180.0°	177.6°
O4	C5	O3	H9	119.3°	120.0°
O4	C5	C4	H6	58.8°	61.1°
O4	C5	O3	H10	180.0°	60.0°
C4	C1	C2	H1	119.0°	118.9°
C4	C1	C2	O2	160.8°	140.3°
C1	C4	C5	N1	117.7°	117.6°
C1	C4	C5	H6	121.1°	121.1°
C1	C4	N1	H6	117.0°	119.4°
C1	C4	C5	O3	177.6°	180.0°
C4	C1	C2	C3	37.9°	22.0°
C1	C4	N1	C3	12.7°	25.3°
C4	C1	C2	H2	76.8°	96.4°
C1	C4	N1	H5	132.3°	145.8°
C4	C1	O1	H7	180.0°	180.0°
C1	C4	C5	H9	58.5°	60.0°
C1	C2	O2	C3	117.3°	113.5°
C1	C2	O2	H2	122.1°	123.2°
C2	C1	C4	C5	106.2°	120.6°
C2	C1	C4	N1	15.7°	1.2°
C1	C2	C3	H2	115.1°	118.3°
C1	C2	C3	N1	43.8°	37.4°
C1	C2	C3	H3	162.1°	155.8°
C1	C2	C3	H4	74.5°	81.0°
C2	C1	C4	H6	132.8°	118.3°
C2	C1	O1	H7	64.1°	64.3°
C1	C2	O2	H8	180.0°	180.0°
O2	C2	C3	H2	121.4°	123.3°
O2	C2	C3	N1	167.3°	155.8°
O2	C2	C1	H1	80.2°	100.8°
O2	C2	C3	H3	74.4°	85.8°
O2	C2	C3	H4	49.0°	37.3°
C5	C4	N1	H6	120.9°	121.2°
C4	C5	O3	H9	118.1°	120.0°
C5	C4	N1	C3	134.8°	144.7°
C5	C4	C1	H1	13.1°	1.7°
C5	C4	N1	H5	105.6°	94.8°
C4	C5	O3	H10	57.4°	59.9°
C4	C5	O4	H11	180.0°	180.0°
N1	C4	C5	O3	59.9°	62.4°
C4	N1	C3	C2	34.6°	39.2°
C4	N1	C3	H5	119.7°	120.5°
N1	C4	C1	H1	135.0°	117.7°
C4	N1	C3	H3	153.0°	157.6°
C4	N1	C3	H4	83.7°	79.3°
N1	C4	C5	H9	59.2°	57.6°
O3	C5	C4	H6	61.3°	58.8°
O3	C5	O4	H11	59.3°	60.0°
C2	C3	N1	H3	118.3°	118.4°
C2	C3	N1	H4	118.3°	118.5°
C3	C2	C1	H1	156.9°	140.9°
C2	C3	H3	H4	124.8°	123.1°
C2	C3	N1	H5	154.3°	159.7°
C3	C2	O2	H8	62.7°	66.5°
N1	C3	C2	H2	71.3°	80.9°
N1	C3	H3	H4	124.8°	123.1°
C3	N1	C4	H6	104.3°	94.1°
H1	C1	C2	H2	42.3°	22.5°
H1	C1	C4	H6	107.9°	122.8°
H1	C1	O1	H7	59.4°	57.8°
H2	C2	C3	H3	47.0°	37.5°
H2	C2	C3	H4	170.4°	160.6°
H2	C2	O2	H8	58.0°	56.8°
H3	C3	N1	H5	87.3°	81.9°
H4	C3	N1	H5	36.0°	41.3°
H6	C4	N1	H5	15.4°	26.4°
H6	C4	C5	H9	179.6°	178.9°
H10	O3	C5	H9	60.7°	180.0°
H11	O4	C5	H9	60.1°	59.9°

Release date:	2025-01-01
Definition date:	2023-12-21
Last modified:	2025-02-12
Release status:	REL
Processing site:	PDBE
Derived from:	8RI8