PSQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S	O	sing	1.52Å	1.51Å
S	O1	doub	1.42Å	1.34Å
S	O2	doub	1.42Å	1.58Å
S	N2	sing	1.66Å	1.60Å
O	HO1	sing	0.97Å	0.95Å
P	N	sing	1.68Å	1.72Å
P	O3	doub	1.48Å	1.52Å
P	N1	sing	1.68Å	1.61Å
P	N2	sing	1.64Å	1.69Å
N	HN1	sing	1.01Å	1.02Å
N	HN2	sing	1.01Å	1.02Å
N1	C4	sing	1.47Å	1.48Å
N1	HN11	sing	1.01Å	1.02Å
C	O4	sing	1.34Å	1.26Å
C	O5	doub	1.21Å	1.26Å
C	C1	sing	1.51Å	1.55Å
O4	HO4	sing	0.97Å	0.95Å
C1	C2	sing	1.53Å	1.55Å
C1	N3	sing	1.47Å	1.48Å
C1	H11	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.55Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.12Å
C3	C4	sing	1.53Å	1.52Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.11Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.11Å
N2	HN21	sing	0.97Å	1.02Å
N3	HN31	sing	1.01Å	1.02Å
N3	HN32	sing	1.01Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	S	O1	115.3°	105.8°
O	S	O2	108.4°	105.8°
O	S	N2	103.6°	107.4°
S	O	HO1	115.2°	106.9°
O1	S	O2	110.1°	125.4°
O1	S	N2	111.4°	105.8°
O2	S	N2	107.7°	105.7°
S	N2	P	123.9°	120.0°
S	N2	HN21	107.1°	120.0°
N	P	O3	106.1°	109.4°
N	P	N1	119.0°	109.4°
N	P	N2	104.3°	109.5°
P	N	HN1	106.1°	106.8°
P	N	HN2	113.5°	106.7°
O3	P	N1	105.6°	109.5°
O3	P	N2	114.1°	109.5°
N1	P	N2	108.1°	109.6°
P	N1	C4	117.4°	106.7°
P	N1	HN11	109.4°	106.6°
P	N2	HN21	107.0°	120.0°
HN1	N	HN2	113.5°	106.7°
C4	N1	HN11	109.3°	106.7°
N1	C4	C3	104.0°	109.4°
N1	C4	H41	114.3°	109.5°
N1	C4	H42	114.3°	109.4°
O4	C	O5	121.8°	120.0°
O4	C	C1	119.3°	120.0°
C	O4	HO4	121.7°	120.0°
O5	C	C1	118.9°	120.0°
C	C1	C2	114.4°	109.6°
C	C1	N3	107.9°	109.5°
C	C1	H11	107.4°	109.4°
C2	C1	N3	110.1°	109.5°
C2	C1	H11	105.1°	109.5°
C1	C2	C3	114.4°	109.5°
C1	C2	H21	110.4°	109.4°
C1	C2	H22	110.4°	109.4°
N3	C1	H11	111.9°	109.4°
C1	N3	HN31	108.0°	106.7°
C1	N3	HN32	112.8°	106.7°
C3	C2	H21	110.5°	109.4°
C3	C2	H22	110.4°	109.5°
C2	C3	C4	112.6°	109.5°
C2	C3	H31	111.0°	109.5°
C2	C3	H32	111.0°	109.5°
H21	C2	H22	99.8°	109.5°
C4	C3	H31	111.0°	109.5°
C4	C3	H32	111.1°	109.5°
C3	C4	H41	114.3°	109.4°
C3	C4	H42	114.3°	109.5°
H31	C3	H32	99.3°	109.4°
H41	C4	H42	96.2°	109.6°
HN31	N3	HN32	112.7°	106.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	S	O1	O2	123.0°	123.1°
O	S	O1	N2	117.6°	113.8°
O	S	O2	N2	111.5°	113.8°
O	S	N2	P	173.7°	60.0°
O	S	N2	HN21	48.4°	120.0°
O1	S	O2	N2	121.6°	123.1°
O1	S	O	HO1	180.0°	67.3°
O1	S	N2	P	49.2°	172.6°
O1	S	N2	HN21	76.1°	7.4°
O2	S	O	HO1	56.1°	67.5°
O2	S	N2	P	71.6°	52.6°
O2	S	N2	HN21	163.2°	127.4°
N2	S	O	HO1	58.1°	179.9°
S	N2	P	N	168.7°	60.0°
S	N2	P	O3	53.3°	59.9°
S	N2	P	N1	63.7°	180.0°
S	N2	P	HN21	125.3°	180.0°
N	P	O3	N1	127.1°	119.9°
N	P	O3	N2	114.3°	120.0°
N	P	N1	N2	118.6°	120.0°
P	N	HN1	HN2	125.3°	113.8°
N	P	N1	C4	55.8°	60.0°
N	P	N1	HN11	179.0°	173.8°
N	P	N2	HN21	66.0°	120.0°
O3	P	N1	N2	122.5°	120.1°
O3	P	N	HN1	180.0°	180.0°
O3	P	N	HN2	54.7°	66.2°
O3	P	N1	C4	63.1°	59.9°
O3	P	N1	HN11	62.1°	53.9°
O3	P	N2	HN21	178.6°	120.0°
N1	P	N	HN1	61.3°	60.0°
N1	P	N	HN2	173.3°	53.8°
P	N1	C4	HN11	125.3°	113.7°
P	N1	C4	C3	173.9°	120.0°
P	N1	C4	H41	60.8°	0.1°
P	N1	C4	H42	48.7°	120.0°
N1	P	N2	HN21	61.5°	0.0°
N2	P	N	HN1	59.2°	60.0°
N2	P	N	HN2	66.2°	173.8°
N2	P	N1	C4	174.4°	180.0°
N2	P	N1	HN11	60.4°	66.2°
N1	C4	C3	C2	177.1°	180.0°
N1	C4	C3	H41	125.3°	120.0°
N1	C4	C3	H42	125.3°	119.9°
N1	C4	C3	H31	57.7°	60.0°
N1	C4	C3	H32	51.9°	60.0°
N1	C4	H41	H42	120.2°	120.0°
HN11	N1	C4	C3	60.8°	126.3°
HN11	N1	C4	H41	64.4°	113.8°
HN11	N1	C4	H42	173.9°	6.3°
O4	C	O5	C1	177.6°	179.9°
O4	C	C1	C2	110.1°	90.0°
O4	C	C1	N3	126.9°	150.0°
O4	C	C1	H11	6.2°	30.1°
O5	C	O4	HO4	180.0°	0.0°
O5	C	C1	C2	72.3°	89.9°
O5	C	C1	N3	50.7°	30.1°
O5	C	C1	H11	171.5°	150.0°
C1	C	O4	HO4	2.4°	179.9°
C	C1	C2	N3	121.7°	120.0°
C	C1	C2	H11	117.6°	120.0°
C	C1	N3	H11	118.0°	119.9°
C	C1	C2	C3	60.8°	180.0°
C	C1	C2	H21	173.9°	60.0°
C	C1	C2	H22	64.5°	59.9°
C	C1	N3	HN31	179.9°	60.1°
C	C1	N3	HN32	54.7°	173.8°
C2	C1	N3	H11	116.5°	120.0°
C1	C2	C3	H21	125.3°	120.0°
C1	C2	C3	H22	125.2°	120.0°
C1	C2	H21	H22	116.2°	119.9°
C1	C2	C3	C4	179.1°	180.0°
C1	C2	C3	H31	53.9°	60.0°
C1	C2	C3	H32	55.6°	60.0°
C2	C1	N3	HN31	54.5°	60.0°
C2	C1	N3	HN32	70.8°	53.7°
N3	C1	C2	C3	177.5°	60.0°
N3	C1	C2	H21	52.2°	60.0°
N3	C1	C2	H22	57.3°	180.0°
C1	N3	HN31	HN32	125.3°	113.8°
H11	C1	C2	C3	56.8°	59.9°
H11	C1	C2	H21	68.5°	179.9°
H11	C1	C2	H22	177.9°	60.1°
H11	C1	N3	HN31	62.1°	180.0°
H11	C1	N3	HN32	172.7°	66.3°
C3	C2	H21	H22	116.3°	120.0°
C2	C3	C4	H31	125.2°	120.0°
C2	C3	C4	H32	125.2°	120.0°
C2	C3	H31	H32	116.9°	120.0°
C2	C3	C4	H41	57.6°	60.1°
C2	C3	C4	H42	51.8°	60.0°
H21	C2	C3	C4	55.6°	60.0°
H21	C2	C3	H31	179.2°	180.0°
H21	C2	C3	H32	69.7°	60.0°
H22	C2	C3	C4	53.8°	60.0°
H22	C2	C3	H31	71.4°	60.0°
H22	C2	C3	H32	179.1°	180.0°
C4	C3	H31	H32	117.0°	120.0°
C3	C4	H41	H42	120.1°	120.0°
H31	C3	C4	H41	67.6°	179.9°
H31	C3	C4	H42	177.0°	60.0°
H32	C3	C4	H41	177.1°	60.0°
H32	C3	C4	H42	73.4°	179.9°

Definition date:	2000-01-27
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1DUV