Obsolete: HAP

HAP was replaced with PLH on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.53Å
C1	N1	sing	1.35Å	1.29Å
C1	O2	doub	1.21Å	1.25Å
C2	C3	sing	1.53Å	1.57Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.55Å
C3	C8	sing	1.51Å	1.52Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.56Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.51Å
C5	C7	sing	1.53Å	1.52Å
C5	H5	sing	1.09Å	1.12Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.12Å
C6	H63	sing	1.09Å	1.12Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C7	H73	sing	1.09Å	1.11Å
C8	N2	sing	1.35Å	1.33Å
C8	O3	doub	1.21Å	1.21Å
C9	C10	sing	1.51Å	1.48Å
C9	C12	sing	1.53Å	1.56Å
C9	N2	sing	1.46Å	1.47Å
C9	H9	sing	1.09Å	1.11Å
C10	N3	sing	1.35Å	1.36Å
C10	O4	doub	1.21Å	1.24Å
C11	N3	sing	1.47Å	1.42Å
C11	H111	sing	1.09Å	1.11Å
C11	H112	sing	1.09Å	1.12Å
C11	H113	sing	1.09Å	1.12Å
C12	C13	sing	1.51Å	1.51Å
C12	H121	sing	1.09Å	1.11Å
C12	H122	sing	1.09Å	1.12Å
C13	C14	doub	1.38Å	1.39Å	Aromatic
C13	C18	sing	1.38Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.41Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C15	C16	doub	1.38Å	1.37Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	C17	sing	1.38Å	1.35Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C17	C18	doub	1.38Å	1.42Å	Aromatic
C17	H17	sing	1.08Å	1.10Å
C18	H18	sing	1.08Å	1.10Å
N1	O1	sing	1.42Å	1.38Å
N1	HN1	sing	0.97Å	1.02Å
N2	HN2	sing	0.97Å	1.02Å
N3	HN3	sing	0.97Å	1.02Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	N1	118.5°	120.0°
C2	C1	O2	110.4°	120.0°
C1	C2	C3	113.1°	109.5°
C1	C2	H21	110.9°	109.5°
C1	C2	H22	110.9°	109.5°
N1	C1	O2	131.2°	120.0°
C1	N1	O1	110.9°	120.0°
C1	N1	HN1	121.8°	120.1°
C3	C2	H21	110.9°	109.5°
C3	C2	H22	110.8°	109.5°
C2	C3	C4	114.1°	109.5°
C2	C3	C8	114.9°	109.5°
C2	C3	H3	102.1°	109.5°
H21	C2	H22	99.5°	109.5°
C4	C3	C8	110.0°	109.5°
C4	C3	H3	108.0°	109.5°
C3	C4	C5	115.7°	109.5°
C3	C4	H41	110.0°	109.4°
C3	C4	H42	110.0°	109.5°
C8	C3	H3	107.0°	109.4°
C3	C8	N2	115.2°	120.0°
C3	C8	O3	117.1°	119.9°
C5	C4	H41	109.9°	109.5°
C5	C4	H42	109.9°	109.5°
C4	C5	C6	114.0°	109.5°
C4	C5	C7	108.0°	109.5°
C4	C5	H5	107.8°	109.5°
H41	C4	H42	100.3°	109.5°
C6	C5	C7	110.4°	109.5°
C6	C5	H5	105.2°	109.5°
C5	C6	H61	114.0°	109.5°
C5	C6	H62	110.6°	109.5°
C5	C6	H63	110.6°	109.5°
C7	C5	H5	111.4°	109.5°
C5	C7	H71	108.0°	109.4°
C5	C7	H72	112.7°	109.4°
C5	C7	H73	112.8°	109.5°
H61	C6	H62	110.5°	109.5°
H61	C6	H63	110.6°	109.4°
H62	C6	H63	99.7°	109.5°
H71	C7	H72	112.7°	109.5°
H71	C7	H73	112.8°	109.5°
H72	C7	H73	97.7°	109.5°
N2	C8	O3	127.3°	120.0°
C8	N2	C9	117.5°	120.1°
C8	N2	HN2	116.7°	120.0°
C10	C9	C12	107.2°	109.4°
C10	C9	N2	109.0°	109.5°
C10	C9	H9	110.7°	109.5°
C9	C10	N3	113.6°	120.0°
C9	C10	O4	124.3°	120.0°
C12	C9	N2	107.8°	109.5°
C12	C9	H9	111.8°	109.5°
C9	C12	C13	111.5°	109.4°
C9	C12	H121	111.5°	109.5°
C9	C12	H122	111.5°	109.5°
N2	C9	H9	110.2°	109.4°
C9	N2	HN2	125.9°	119.9°
N3	C10	O4	121.9°	120.0°
C10	N3	C11	121.0°	120.0°
C10	N3	HN3	117.3°	120.0°
N3	C11	H111	121.0°	109.4°
N3	C11	H112	108.1°	109.5°
N3	C11	H113	108.1°	109.5°
C11	N3	HN3	121.7°	120.0°
H111	C11	H112	108.1°	109.4°
H111	C11	H113	108.1°	109.5°
H112	C11	H113	101.7°	109.5°
C13	C12	H121	111.5°	109.4°
C13	C12	H122	111.5°	109.5°
C12	C13	C14	119.8°	120.0°
C12	C13	C18	119.5°	120.0°
H121	C12	H122	98.8°	109.5°
C14	C13	C18	120.5°	120.0°
C13	C14	C15	119.2°	120.0°
C13	C14	H14	119.7°	120.0°
C13	C18	C17	119.1°	120.0°
C13	C18	H18	119.8°	120.0°
C15	C14	H14	121.2°	120.0°
C14	C15	C16	117.6°	120.0°
C14	C15	H15	122.7°	120.0°
C16	C15	H15	119.7°	120.0°
C15	C16	C17	124.1°	120.0°
C15	C16	H16	118.7°	120.0°
C17	C16	H16	117.2°	120.1°
C16	C17	C18	117.8°	120.1°
C16	C17	H17	118.8°	119.9°
C18	C17	H17	123.4°	120.0°
C17	C18	H18	121.1°	120.0°
O1	N1	HN1	127.3°	120.0°
N1	O1	HO1	111.0°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	N1	O2	178.2°	180.0°
C1	C2	C3	H21	125.3°	120.0°
C1	C2	C3	H22	125.2°	120.0°
C1	C2	H21	H22	116.7°	120.0°
C1	C2	C3	C4	53.2°	60.0°
C1	C2	C3	C8	178.4°	180.0°
C1	C2	C3	H3	63.0°	60.0°
C2	C1	N1	O1	175.9°	180.0°
C2	C1	N1	HN1	4.1°	0.1°
N1	C1	C2	C3	107.4°	179.9°
N1	C1	C2	H21	17.9°	60.0°
N1	C1	C2	H22	127.4°	60.0°
C1	N1	O1	HN1	180.0°	179.9°
C1	N1	O1	HO1	180.0°	180.0°
O2	C1	C2	C3	71.1°	0.0°
O2	C1	C2	H21	163.6°	120.0°
O2	C1	C2	H22	54.1°	120.0°
O2	C1	N1	O1	2.3°	0.0°
O2	C1	N1	HN1	177.7°	179.9°
C3	C2	H21	H22	116.7°	120.0°
C2	C3	C4	C8	130.9°	120.0°
C2	C3	C4	H3	112.7°	120.0°
C2	C3	C8	H3	112.6°	120.0°
C2	C3	C4	C5	166.3°	124.2°
C2	C3	C4	H41	41.1°	4.2°
C2	C3	C4	H42	68.4°	115.8°
C2	C3	C8	N2	110.5°	123.7°
C2	C3	C8	O3	63.4°	56.4°
H21	C2	C3	C4	72.0°	180.0°
H21	C2	C3	C8	56.3°	60.0°
H21	C2	C3	H3	171.8°	60.0°
H22	C2	C3	C4	178.4°	60.0°
H22	C2	C3	C8	53.2°	60.0°
H22	C2	C3	H3	62.3°	180.0°
C4	C3	C8	H3	117.0°	120.0°
C3	C4	C5	H41	125.3°	120.0°
C3	C4	C5	H42	125.3°	120.0°
C3	C4	H41	H42	115.8°	120.0°
C3	C4	C5	C6	65.4°	174.5°
C3	C4	C5	C7	171.5°	65.5°
C3	C4	C5	H5	50.9°	54.5°
C4	C3	C8	N2	119.1°	116.4°
C4	C3	C8	O3	67.0°	63.6°
C8	C3	C4	C5	62.9°	115.8°
C8	C3	C4	H41	171.9°	124.2°
C8	C3	C4	H42	62.4°	4.2°
C3	C8	N2	O3	173.2°	179.9°
C3	C8	N2	C9	169.0°	174.3°
C3	C8	N2	HN2	11.0°	5.6°
H3	C3	C4	C5	53.6°	4.1°
H3	C3	C4	H41	71.7°	115.8°
H3	C3	C4	H42	178.8°	124.2°
H3	C3	C8	N2	2.1°	3.6°
H3	C3	C8	O3	176.0°	176.4°
C5	C4	H41	H42	115.7°	120.0°
C4	C5	C6	C7	121.8°	120.0°
C4	C5	C6	H5	117.8°	120.0°
C4	C5	C7	H5	118.3°	120.0°
C4	C5	C6	H61	180.0°	180.0°
C4	C5	C6	H62	54.7°	60.0°
C4	C5	C6	H63	54.7°	60.0°
C4	C5	C7	H71	180.0°	54.1°
C4	C5	C7	H72	54.8°	65.9°
C4	C5	C7	H73	54.7°	174.1°
H41	C4	C5	C6	59.8°	54.5°
H41	C4	C5	C7	63.3°	174.5°
H41	C4	C5	H5	176.1°	65.5°
H42	C4	C5	C6	169.3°	65.5°
H42	C4	C5	C7	46.2°	54.5°
H42	C4	C5	H5	74.4°	174.5°
C6	C5	C7	H5	116.5°	120.0°
C5	C6	H61	H62	125.3°	120.0°
C5	C6	H61	H63	125.3°	120.0°
C5	C6	H62	H63	116.4°	120.0°
C6	C5	C7	H71	54.8°	66.0°
C6	C5	C7	H72	70.4°	174.0°
C6	C5	C7	H73	180.0°	54.0°
C7	C5	C6	H61	58.2°	60.0°
C7	C5	C6	H62	176.5°	180.0°
C7	C5	C6	H63	67.1°	60.0°
C5	C7	H71	H72	125.2°	120.0°
C5	C7	H71	H73	125.3°	120.0°
C5	C7	H72	H73	118.7°	120.0°
H5	C5	C6	H61	62.1°	60.0°
H5	C5	C6	H62	63.1°	60.0°
H5	C5	C6	H63	172.6°	180.0°
H5	C5	C7	H71	61.8°	174.1°
H5	C5	C7	H72	173.0°	54.1°
H5	C5	C7	H73	63.5°	65.9°
H61	C6	H62	H63	116.4°	119.9°
H71	C7	H72	H73	118.7°	120.1°
C8	N2	C9	C10	92.8°	92.1°
C8	N2	C9	C12	151.1°	147.9°
C8	N2	C9	HN2	180.0°	179.9°
C8	N2	C9	H9	28.9°	27.9°
O3	C8	N2	C9	4.1°	5.8°
O3	C8	N2	HN2	175.9°	174.3°
C10	C9	C12	N2	117.2°	120.0°
C10	C9	C12	H9	121.6°	120.0°
C10	C9	N2	H9	121.7°	120.0°
C9	C10	N3	O4	175.7°	179.9°
C9	C10	N3	C11	179.6°	178.6°
C10	C9	C12	C13	64.0°	180.0°
C10	C9	C12	H121	170.7°	60.0°
C10	C9	C12	H122	61.3°	60.0°
C10	C9	N2	HN2	87.2°	88.0°
C9	C10	N3	HN3	0.4°	1.2°
C12	C9	N2	H9	122.2°	120.0°
C12	C9	C10	N3	110.5°	85.1°
C12	C9	C10	O4	65.2°	95.0°
C9	C12	C13	H121	125.3°	120.0°
C9	C12	C13	H122	125.3°	120.0°
C9	C12	H121	H122	117.3°	120.1°
C9	C12	C13	C14	79.4°	90.0°
C9	C12	C13	C18	106.6°	90.3°
C12	C9	N2	HN2	28.9°	32.0°
N2	C9	C10	N3	133.1°	35.0°
N2	C9	C10	O4	51.3°	144.9°
N2	C9	C12	C13	178.8°	60.0°
N2	C9	C12	H121	53.5°	60.0°
N2	C9	C12	H122	55.9°	180.0°
H9	C9	C10	N3	11.8°	154.9°
H9	C9	C10	O4	172.6°	25.0°
H9	C9	C12	C13	57.6°	60.0°
H9	C9	C12	H121	67.8°	180.0°
H9	C9	C12	H122	177.2°	60.0°
H9	C9	N2	HN2	151.1°	152.0°
C10	N3	C11	HN3	180.0°	179.9°
C10	N3	C11	H111	180.0°	179.9°
C10	N3	C11	H112	54.7°	60.2°
C10	N3	C11	H113	54.7°	59.9°
O4	C10	N3	C11	4.6°	1.4°
O4	C10	N3	HN3	175.3°	178.7°
N3	C11	H111	H112	125.3°	119.9°
N3	C11	H111	H113	125.3°	120.0°
N3	C11	H112	H113	113.7°	120.1°
H111	C11	H112	H113	113.7°	120.0°
H111	C11	N3	HN3	0.0°	0.1°
H112	C11	N3	HN3	125.3°	120.0°
H113	C11	N3	HN3	125.3°	120.0°
C13	C12	H121	H122	117.3°	120.0°
C12	C13	C14	C18	173.9°	179.7°
C12	C13	C14	C15	179.5°	179.9°
C12	C13	C14	H14	0.5°	0.0°
C12	C13	C18	C17	177.3°	179.8°
C12	C13	C18	H18	2.7°	0.3°
H121	C12	C13	C14	45.9°	30.0°
H121	C12	C13	C18	128.0°	149.7°
H122	C12	C13	C14	155.3°	150.0°
H122	C12	C13	C18	18.6°	29.7°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	C16	5.5°	0.0°
C13	C14	C15	H15	174.4°	179.9°
C14	C13	C18	C17	8.7°	0.5°
C14	C13	C18	H18	171.2°	179.9°
C18	C13	C14	C15	5.6°	0.3°
C18	C13	C14	H14	174.4°	179.7°
C13	C18	C17	C16	0.6°	0.5°
C13	C18	C17	H18	180.0°	179.6°
C13	C18	C17	H17	179.4°	179.7°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	C17	14.5°	0.0°
C14	C15	C16	H16	165.5°	179.9°
H14	C14	C15	C16	174.5°	179.9°
H14	C14	C15	H15	5.5°	0.2°
C15	C16	C17	H16	180.0°	179.9°
C15	C16	C17	C18	11.4°	0.2°
C15	C16	C17	H17	168.6°	179.9°
H15	C15	C16	C17	165.4°	179.9°
H15	C15	C16	H16	14.6°	0.0°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	H18	179.4°	180.0°
H16	C16	C17	C18	168.6°	179.9°
H16	C16	C17	H17	11.4°	0.0°
H17	C17	C18	H18	0.6°	0.1°
HN1	N1	O1	HO1	0.0°	0.1°

Definition date:	1999-07-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	RCSB
Replaced by:	PLH
Derived from:	1HFC