5YL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3P	P	sing	1.61Å	1.52Å
O3P	HOP3	sing	0.97Å	0.95Å
P	O1P	doub	1.48Å	1.50Å
P	O2P	sing	1.61Å	1.51Å
P	C17	sing	1.82Å	1.66Å
O2P	HOP2	sing	0.97Å	0.95Å
C17	C16	sing	1.53Å	1.53Å
C17	H171	sing	1.09Å	1.11Å
C17	H172	sing	1.09Å	1.11Å
C16	C15	sing	1.53Å	1.56Å
C16	H161	sing	1.09Å	1.12Å
C16	H162	sing	1.09Å	1.12Å
C15	C14	sing	1.53Å	1.56Å
C15	H151	sing	1.09Å	1.11Å
C15	H152	sing	1.09Å	1.12Å
C14	C13	sing	1.53Å	1.54Å
C14	H141	sing	1.09Å	1.12Å
C14	H142	sing	1.09Å	1.12Å
C13	C5	sing	1.51Å	1.51Å
C13	H131	sing	1.09Å	1.12Å
C13	H132	sing	1.09Å	1.11Å
C5	C4	sing	1.40Å	1.47Å	Aromatic
C5	C6	doub	1.37Å	1.50Å	Aromatic
C4	O4	doub	1.22Å	1.25Å
C4	N3	sing	1.35Å	1.32Å	Aromatic
N3	C2	sing	1.35Å	1.33Å	Aromatic
N3	HN3	sing	0.97Å	1.02Å
C2	O2	doub	1.22Å	1.24Å
C2	N1	sing	1.35Å	1.33Å	Aromatic
N1	C6	sing	1.37Å	1.35Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
C6	N7	sing	1.37Å	1.36Å
N7	C8	sing	1.46Å	1.45Å
N7	HN7	sing	0.97Å	1.02Å
C8	C9	sing	1.53Å	1.54Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.12Å
C9	O9	sing	1.43Å	1.42Å
C9	C10	sing	1.53Å	1.53Å
C9	H91	sing	1.09Å	1.12Å
O9	HO9	sing	0.97Å	0.95Å
C10	O10	sing	1.43Å	1.43Å
C10	C11	sing	1.53Å	1.54Å
C10	H101	sing	1.09Å	1.12Å
O10	H10O	sing	0.97Å	0.95Å
C11	O11	sing	1.43Å	1.43Å
C11	C12	sing	1.53Å	1.54Å
C11	H111	sing	1.09Å	1.11Å
O11	H11O	sing	0.97Å	0.95Å
C12	O12	sing	1.43Å	1.41Å
C12	H121	sing	1.09Å	1.12Å
C12	H122	sing	1.09Å	1.11Å
O12	H12O	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
P	O3P	HOP3	112.3°	106.9°
O3P	P	O1P	112.3°	109.5°
O3P	P	O2P	112.5°	109.5°
O3P	P	C17	104.0°	109.5°
O1P	P	O2P	113.5°	109.5°
O1P	P	C17	107.0°	109.5°
O2P	P	C17	106.7°	109.5°
P	O2P	HOP2	112.6°	106.8°
P	C17	C16	122.5°	109.5°
P	C17	H171	107.5°	109.4°
P	C17	H172	107.6°	109.5°
C16	C17	H171	107.6°	109.5°
C16	C17	H172	107.5°	109.5°
C17	C16	C15	115.8°	109.5°
C17	C16	H161	109.9°	109.5°
C17	C16	H162	109.9°	109.5°
H171	C17	H172	102.3°	109.5°
C15	C16	H161	109.9°	109.4°
C15	C16	H162	109.9°	109.5°
C16	C15	C14	115.5°	109.5°
C16	C15	H151	110.0°	109.4°
C16	C15	H152	110.0°	109.5°
H161	C16	H162	100.3°	109.5°
C14	C15	H151	110.0°	109.4°
C14	C15	H152	110.0°	109.5°
C15	C14	C13	112.7°	109.5°
C15	C14	H141	111.1°	109.4°
C15	C14	H142	111.0°	109.5°
H151	C15	H152	100.3°	109.5°
C13	C14	H141	111.1°	109.5°
C13	C14	H142	111.0°	109.4°
C14	C13	C5	111.1°	109.5°
C14	C13	H131	111.6°	109.4°
C14	C13	H132	111.6°	109.5°
H141	C14	H142	99.3°	109.5°
C5	C13	H131	111.6°	109.5°
C5	C13	H132	111.6°	109.5°
C13	C5	C4	113.7°	120.5°
C13	C5	C6	131.2°	120.4°
H131	C13	H132	98.8°	109.4°
C4	C5	C6	114.6°	119.0°
C5	C4	O4	120.7°	120.2°
C5	C4	N3	120.2°	119.6°
C5	C6	N1	118.1°	119.4°
C5	C6	N7	122.8°	120.3°
O4	C4	N3	119.1°	120.2°
C4	N3	C2	122.5°	120.6°
C4	N3	HN3	118.4°	119.8°
C2	N3	HN3	119.1°	119.7°
N3	C2	O2	116.6°	119.6°
N3	C2	N1	122.4°	120.9°
O2	C2	N1	121.0°	119.5°
C2	N1	C6	122.3°	120.4°
C2	N1	HN1	118.3°	119.8°
C6	N1	HN1	119.5°	119.8°
N1	C6	N7	119.1°	120.3°
C6	N7	C8	121.6°	120.0°
C6	N7	HN7	107.9°	120.0°
C8	N7	HN7	107.9°	120.0°
N7	C8	C9	111.5°	109.5°
N7	C8	H81	111.5°	109.4°
N7	C8	H82	111.5°	109.5°
C9	C8	H81	111.4°	109.4°
C9	C8	H82	111.4°	109.5°
C8	C9	O9	111.1°	109.5°
C8	C9	C10	111.2°	109.5°
C8	C9	H91	107.1°	109.4°
H81	C8	H82	98.9°	109.5°
O9	C9	C10	109.3°	109.5°
O9	C9	H91	109.1°	109.4°
C9	O9	HO9	111.1°	106.8°
C10	C9	H91	108.9°	109.5°
C9	C10	O10	110.1°	109.5°
C9	C10	C11	111.9°	109.5°
C9	C10	H101	107.3°	109.5°
O10	C10	C11	109.2°	109.5°
O10	C10	H101	110.1°	109.4°
C10	O10	H10O	110.1°	106.8°
C11	C10	H101	108.2°	109.4°
C10	C11	O11	110.2°	109.5°
C10	C11	C12	112.5°	109.5°
C10	C11	H111	106.6°	109.5°
O11	C11	C12	108.5°	109.5°
O11	C11	H111	110.7°	109.4°
C11	O11	H11O	110.2°	106.8°
C12	C11	H111	108.3°	109.5°
C11	C12	O12	109.7°	109.5°
C11	C12	H121	112.1°	109.5°
C11	C12	H122	112.1°	109.5°
O12	C12	H121	112.1°	109.4°
O12	C12	H122	112.1°	109.5°
C12	O12	H12O	109.7°	106.9°
H121	C12	H122	98.3°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3P	P	O1P	O2P	129.1°	120.0°
O3P	P	O1P	C17	113.5°	120.0°
O3P	P	O2P	C17	113.5°	120.1°
O3P	P	O2P	HOP2	180.0°	60.0°
O3P	P	C17	C16	178.0°	180.0°
O3P	P	C17	H171	52.8°	60.0°
O3P	P	C17	H172	56.8°	60.0°
HOP3	O3P	P	O1P	180.0°	60.0°
HOP3	O3P	P	O2P	50.4°	60.0°
HOP3	O3P	P	C17	64.7°	180.0°
O1P	P	O2P	C17	117.6°	120.0°
O1P	P	O2P	HOP2	51.0°	180.0°
O1P	P	C17	C16	58.9°	60.0°
O1P	P	C17	H171	66.3°	60.0°
O1P	P	C17	H172	175.8°	180.0°
O2P	P	C17	C16	62.9°	60.0°
O2P	P	C17	H171	171.9°	179.9°
O2P	P	C17	H172	62.4°	60.0°
C17	P	O2P	HOP2	66.6°	60.0°
P	C17	C16	H171	125.2°	119.9°
P	C17	C16	H172	125.3°	120.0°
P	C17	H171	H172	113.1°	120.0°
P	C17	C16	C15	138.2°	180.0°
P	C17	C16	H161	13.0°	60.1°
P	C17	C16	H162	96.5°	60.0°
C16	C17	H171	H172	113.1°	120.0°
C17	C16	C15	H161	125.3°	120.0°
C17	C16	C15	H162	125.3°	120.0°
C17	C16	H161	H162	115.7°	120.0°
C17	C16	C15	C14	161.2°	180.0°
C17	C16	C15	H151	35.9°	60.0°
C17	C16	C15	H152	73.6°	60.0°
H171	C17	C16	C15	96.5°	60.1°
H171	C17	C16	H161	138.2°	180.0°
H171	C17	C16	H162	28.7°	59.9°
H172	C17	C16	C15	13.0°	60.0°
H172	C17	C16	H161	112.3°	60.0°
H172	C17	C16	H162	138.3°	180.0°
C15	C16	H161	H162	115.7°	120.0°
C16	C15	C14	H151	125.3°	119.9°
C16	C15	C14	H152	125.2°	120.1°
C16	C15	H151	H152	115.8°	120.0°
C16	C15	C14	C13	71.0°	180.0°
C16	C15	C14	H141	163.6°	60.1°
C16	C15	C14	H142	54.2°	60.0°
H161	C16	C15	C14	73.5°	60.1°
H161	C16	C15	H151	161.2°	180.0°
H161	C16	C15	H152	51.7°	60.0°
H162	C16	C15	C14	35.9°	60.0°
H162	C16	C15	H151	89.3°	60.0°
H162	C16	C15	H152	161.1°	180.0°
C14	C15	H151	H152	115.8°	120.0°
C15	C14	C13	H141	125.3°	119.9°
C15	C14	C13	H142	125.2°	120.0°
C15	C14	H141	H142	116.9°	120.0°
C15	C14	C13	C5	165.3°	180.0°
C15	C14	C13	H131	69.4°	60.0°
C15	C14	C13	H132	40.1°	59.9°
H151	C15	C14	C13	54.2°	60.0°
H151	C15	C14	H141	71.1°	180.0°
H151	C15	C14	H142	179.5°	60.0°
H152	C15	C14	C13	163.8°	59.9°
H152	C15	C14	H141	38.4°	60.0°
H152	C15	C14	H142	71.0°	179.9°
C13	C14	H141	H142	116.9°	120.0°
C14	C13	C5	H131	125.3°	120.0°
C14	C13	C5	H132	125.2°	120.0°
C14	C13	H131	H132	117.5°	119.9°
C14	C13	C5	C4	78.4°	90.0°
C14	C13	C5	C6	93.4°	90.0°
H141	C14	C13	C5	40.0°	60.1°
H141	C14	C13	H131	165.3°	179.9°
H141	C14	C13	H132	85.2°	60.0°
H142	C14	C13	C5	69.4°	60.0°
H142	C14	C13	H131	55.8°	60.0°
H142	C14	C13	H132	165.3°	180.0°
C5	C13	H131	H132	117.5°	120.0°
C13	C5	C4	C6	173.2°	180.0°
C13	C5	C4	O4	5.7°	0.0°
C13	C5	C4	N3	174.9°	180.0°
C13	C5	C6	N1	172.6°	179.7°
C13	C5	C6	N7	6.0°	0.1°
H131	C13	C5	C4	156.3°	30.0°
H131	C13	C5	C6	31.9°	150.0°
H132	C13	C5	C4	46.8°	150.0°
H132	C13	C5	C6	141.3°	30.0°
C5	C4	O4	N3	179.4°	180.0°
C5	C4	N3	C2	1.1°	0.0°
C5	C4	N3	HN3	178.9°	180.0°
C4	C5	C6	N1	0.8°	0.2°
C4	C5	C6	N7	177.8°	180.0°
C6	C5	C4	O4	178.9°	180.0°
C6	C5	C4	N3	1.7°	0.0°
C5	C6	N1	C2	0.6°	0.6°
C5	C6	N1	N7	178.7°	179.8°
C5	C6	N1	HN1	179.4°	179.9°
C5	C6	N7	C8	156.3°	179.9°
C5	C6	N7	HN7	31.1°	0.1°
O4	C4	N3	C2	179.4°	180.0°
O4	C4	N3	HN3	0.5°	0.0°
C4	N3	C2	HN3	180.0°	180.0°
C4	N3	C2	O2	179.0°	180.0°
C4	N3	C2	N1	0.4°	0.4°
N3	C2	O2	N1	179.4°	179.6°
N3	C2	N1	C6	1.2°	0.6°
N3	C2	N1	HN1	178.7°	180.0°
HN3	N3	C2	O2	1.0°	0.0°
HN3	N3	C2	N1	179.6°	179.6°
O2	C2	N1	C6	178.1°	179.8°
O2	C2	N1	HN1	1.9°	0.4°
C2	N1	C6	HN1	180.0°	179.4°
C2	N1	C6	N7	179.2°	179.6°
N1	C6	N7	C8	25.1°	0.3°
N1	C6	N7	HN7	150.3°	179.7°
HN1	N1	C6	N7	0.8°	0.3°
C6	N7	C8	HN7	125.3°	180.0°
C6	N7	C8	C9	91.7°	180.0°
C6	N7	C8	H81	143.1°	60.1°
C6	N7	C8	H82	33.5°	59.9°
N7	C8	C9	H81	125.3°	119.9°
N7	C8	C9	H82	125.3°	120.1°
N7	C8	H81	H82	117.4°	120.1°
N7	C8	C9	O9	73.5°	59.9°
N7	C8	C9	C10	164.5°	180.0°
N7	C8	C9	H91	45.6°	60.1°
HN7	N7	C8	C9	143.1°	0.1°
HN7	N7	C8	H81	17.8°	119.9°
HN7	N7	C8	H82	91.7°	120.1°
C9	C8	H81	H82	117.3°	120.0°
C8	C9	O9	C10	123.1°	120.1°
C8	C9	O9	H91	117.9°	119.9°
C8	C9	C10	H91	117.8°	120.0°
C8	C9	O9	HO9	180.0°	60.0°
C8	C9	C10	O10	56.7°	59.9°
C8	C9	C10	C11	64.9°	179.9°
C8	C9	C10	H101	176.5°	60.1°
H81	C8	C9	O9	161.2°	60.0°
H81	C8	C9	C10	39.2°	60.1°
H81	C8	C9	H91	79.7°	179.9°
H82	C8	C9	O9	51.8°	180.0°
H82	C8	C9	C10	70.3°	59.9°
H82	C8	C9	H91	170.8°	60.1°
O9	C9	C10	H91	119.1°	120.0°
O9	C9	C10	O10	66.3°	180.0°
O9	C9	C10	C11	172.0°	60.0°
O9	C9	C10	H101	53.5°	60.0°
C10	C9	O9	HO9	56.9°	60.0°
C9	C10	O10	C11	123.3°	120.1°
C9	C10	O10	H101	118.1°	120.0°
C9	C10	C11	H101	118.0°	120.0°
C9	C10	O10	H10O	180.0°	60.0°
C9	C10	C11	O11	53.3°	59.9°
C9	C10	C11	C12	174.5°	180.0°
C9	C10	C11	H111	66.9°	60.0°
H91	C9	O9	HO9	62.1°	180.0°
H91	C9	C10	O10	174.6°	60.0°
H91	C9	C10	C11	52.9°	60.0°
H91	C9	C10	H101	65.6°	180.0°
O10	C10	C11	H101	119.8°	119.9°
O10	C10	C11	O11	175.5°	180.0°
O10	C10	C11	C12	63.3°	59.9°
O10	C10	C11	H111	55.3°	60.1°
C11	C10	O10	H10O	56.7°	60.0°
C10	C11	O11	C12	123.5°	120.1°
C10	C11	O11	H111	117.7°	120.0°
C10	C11	C12	H111	117.6°	120.0°
C10	C11	O11	H11O	179.9°	60.0°
C10	C11	C12	O12	55.0°	179.9°
C10	C11	C12	H121	179.7°	60.0°
C10	C11	C12	H122	70.2°	59.9°
H101	C10	O10	H10O	61.9°	179.9°
H101	C10	C11	O11	64.7°	60.1°
H101	C10	C11	C12	56.5°	60.0°
H101	C10	C11	H111	175.1°	180.0°
O11	C11	C12	H111	120.3°	119.9°
O11	C11	C12	O12	67.1°	59.9°
O11	C11	C12	H121	58.2°	60.1°
O11	C11	C12	H122	167.7°	180.0°
C12	C11	O11	H11O	56.4°	60.1°
C11	C12	O12	H121	125.3°	120.0°
C11	C12	O12	H122	125.3°	120.1°
C11	C12	H121	H122	118.1°	120.0°
C11	C12	O12	H12O	180.0°	180.0°
H111	C11	O11	H11O	62.4°	180.0°
H111	C11	C12	O12	172.6°	60.0°
H111	C11	C12	H121	62.1°	180.0°
H111	C11	C12	H122	47.4°	60.1°
O12	C12	H121	H122	118.0°	120.0°
H121	C12	O12	H12O	54.7°	60.0°
H122	C12	O12	H12O	54.8°	59.8°

Definition date:	2003-02-04
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1NQW