PSZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1T	C3A	sing	1.35Å	1.25Å
O1T	HO1T	sing	0.97Å	0.95Å
C3A	O2T	doub	1.22Å	1.25Å
C3A	C2T	sing	1.46Å	1.49Å
C2T	C3T	doub	1.37Å	1.40Å	Aromatic
C2T	S	sing	1.76Å	1.74Å	Aromatic
S	C5T	sing	1.71Å	1.73Å	Aromatic
C5T	C4T	doub	1.34Å	1.39Å	Aromatic
C5T	H5T	sing	1.08Å	1.08Å
C4T	C3T	sing	1.38Å	1.40Å	Aromatic
C4T	N4A	sing	1.41Å	1.46Å
C3T	H3T	sing	1.08Å	1.08Å
N4A	C4A	sing	1.47Å	1.47Å
N4A	HN4A	sing	0.97Å	1.00Å
C4A	C4	sing	1.51Å	1.51Å
C4A	H4A1	sing	1.09Å	1.10Å
C4A	H4A2	sing	1.09Å	1.10Å
C4	C3	sing	1.39Å	1.48Å	Aromatic
C4	C5	doub	1.39Å	1.48Å	Aromatic
C3	O3	sing	1.36Å	1.36Å
C3	C2	doub	1.39Å	1.48Å	Aromatic
O3	HO3	sing	0.97Å	0.95Å
C2	C2A	sing	1.51Å	1.51Å
C2	N1	sing	1.32Å	1.34Å	Aromatic
C2A	H2A1	sing	1.09Å	1.10Å
C2A	H2A2	sing	1.09Å	1.10Å
C2A	H2A3	sing	1.09Å	1.10Å
N1	C6	doub	1.32Å	1.34Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C5	C5A	sing	1.51Å	1.51Å
C5A	O4P	sing	1.43Å	1.43Å
C5A	H5A1	sing	1.09Å	1.10Å
C5A	H5A2	sing	1.09Å	1.10Å
O4P	P	sing	1.61Å	1.61Å
P	O2P	doub	1.48Å	1.51Å
P	O3P	sing	1.61Å	1.51Å
P	O1P	sing	1.61Å	1.51Å
O3P	HO3P	sing	0.97Å	0.95Å
O1P	HO1P	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3A	O1T	HO1T	109.5°	114.0°
O1T	C3A	O2T	133.1°	120.0°
O1T	C3A	C2T	113.5°	120.0°
O2T	C3A	C2T	113.4°	120.0°
C3A	C2T	C3T	131.6°	125.5°
C3A	C2T	S	122.4°	125.4°
C3T	C2T	S	106.0°	109.1°
C2T	C3T	C4T	112.1°	113.3°
C2T	C3T	H3T	123.9°	123.4°
C2T	S	C5T	99.2°	91.6°
S	C5T	C4T	101.7°	111.0°
S	C5T	H5T	129.2°	124.5°
C4T	C5T	H5T	129.1°	124.5°
C5T	C4T	C3T	121.0°	114.9°
C5T	C4T	N4A	119.5°	122.5°
C3T	C4T	N4A	119.5°	122.6°
C4T	C3T	H3T	124.0°	123.3°
C4T	N4A	C4A	109.5°	120.0°
C4T	N4A	HN4A	109.4°	120.0°
C4A	N4A	HN4A	109.5°	119.9°
N4A	C4A	C4	109.4°	109.5°
N4A	C4A	H4A1	109.5°	109.5°
N4A	C4A	H4A2	109.5°	109.5°
C4	C4A	H4A1	109.5°	109.5°
C4	C4A	H4A2	109.5°	109.5°
C4A	C4	C3	121.5°	120.8°
C4A	C4	C5	121.5°	120.8°
H4A1	C4A	H4A2	109.4°	109.5°
C3	C4	C5	116.9°	118.4°
C4	C3	O3	121.3°	120.5°
C4	C3	C2	117.5°	119.1°
C4	C5	C6	119.2°	119.2°
C4	C5	C5A	120.4°	120.4°
O3	C3	C2	121.3°	120.5°
C3	O3	HO3	109.5°	114.0°
C3	C2	C2A	119.8°	119.6°
C3	C2	N1	120.3°	120.7°
C2A	C2	N1	119.9°	119.7°
C2	C2A	H2A1	109.5°	109.5°
C2	C2A	H2A2	109.5°	109.4°
C2	C2A	H2A3	109.5°	109.5°
C2	N1	C6	123.4°	121.8°
H2A1	C2A	H2A2	109.4°	109.5°
H2A1	C2A	H2A3	109.5°	109.5°
H2A2	C2A	H2A3	109.5°	109.4°
N1	C6	C5	122.7°	120.9°
N1	C6	H6	118.6°	119.6°
C5	C6	H6	118.7°	119.5°
C6	C5	C5A	120.4°	120.4°
C5	C5A	O4P	109.5°	109.5°
C5	C5A	H5A1	109.5°	109.5°
C5	C5A	H5A2	109.5°	109.4°
O4P	C5A	H5A1	109.5°	109.5°
O4P	C5A	H5A2	109.5°	109.5°
C5A	O4P	P	120.5°	123.0°
H5A1	C5A	H5A2	109.4°	109.4°
O4P	P	O2P	103.9°	109.5°
O4P	P	O3P	103.9°	109.5°
O4P	P	O1P	103.9°	109.5°
O2P	P	O3P	114.4°	109.5°
O2P	P	O1P	114.4°	109.5°
O3P	P	O1P	114.4°	109.5°
P	O3P	HO3P	109.5°	114.0°
P	O1P	HO1P	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1T	C3A	O2T	C2T	179.9°	180.0°
O1T	C3A	C2T	C3T	170.5°	180.0°
O1T	C3A	C2T	S	9.6°	0.3°
HO1T	O1T	C3A	O2T	0.0°	0.0°
HO1T	O1T	C3A	C2T	179.9°	179.9°
O2T	C3A	C2T	C3T	9.4°	0.0°
O2T	C3A	C2T	S	170.5°	179.7°
C3A	C2T	C3T	S	179.9°	179.7°
C3A	C2T	S	C5T	180.0°	180.0°
C3A	C2T	C3T	C4T	180.0°	179.8°
C3A	C2T	C3T	H3T	0.0°	0.1°
C3T	C2T	S	C5T	0.0°	0.3°
C2T	C3T	C4T	C5T	0.1°	0.5°
C2T	C3T	C4T	H3T	180.0°	179.7°
C2T	C3T	C4T	N4A	180.0°	179.8°
C2T	S	C5T	C4T	0.0°	0.0°
C2T	S	C5T	H5T	180.0°	180.0°
S	C2T	C3T	C4T	0.1°	0.5°
S	C2T	C3T	H3T	179.9°	179.8°
S	C5T	C4T	H5T	180.0°	180.0°
S	C5T	C4T	C3T	0.1°	0.3°
S	C5T	C4T	N4A	180.0°	180.0°
C5T	C4T	C3T	N4A	179.9°	179.7°
C5T	C4T	C3T	H3T	179.9°	179.7°
C5T	C4T	N4A	C4A	123.2°	0.0°
C5T	C4T	N4A	HN4A	116.8°	180.0°
H5T	C5T	C4T	C3T	180.0°	179.7°
H5T	C5T	C4T	N4A	0.0°	0.0°
C3T	C4T	N4A	C4A	56.9°	179.7°
C3T	C4T	N4A	HN4A	63.1°	0.3°
N4A	C4T	C3T	H3T	0.0°	0.1°
C4T	N4A	C4A	HN4A	120.0°	180.0°
C4T	N4A	C4A	C4	120.8°	180.0°
C4T	N4A	C4A	H4A1	119.2°	60.0°
C4T	N4A	C4A	H4A2	0.7°	60.0°
N4A	C4A	C4	H4A1	120.0°	120.0°
N4A	C4A	C4	H4A2	120.0°	120.0°
N4A	C4A	H4A1	H4A2	120.0°	120.0°
N4A	C4A	C4	C3	124.9°	90.0°
N4A	C4A	C4	C5	55.2°	90.3°
HN4A	N4A	C4A	C4	0.8°	0.0°
HN4A	N4A	C4A	H4A1	120.8°	120.0°
HN4A	N4A	C4A	H4A2	119.2°	120.0°
C4	C4A	H4A1	H4A2	120.0°	120.0°
C4A	C4	C3	C5	179.9°	179.7°
C4A	C4	C3	O3	0.1°	0.1°
C4A	C4	C3	C2	180.0°	180.0°
C4A	C4	C5	C6	179.9°	179.8°
C4A	C4	C5	C5A	0.1°	0.0°
H4A1	C4A	C4	C3	115.1°	30.0°
H4A1	C4A	C4	C5	64.8°	149.7°
H4A2	C4A	C4	C3	4.9°	150.0°
H4A2	C4A	C4	C5	175.3°	29.7°
C4	C3	O3	C2	179.9°	179.9°
C4	C3	O3	HO3	50.6°	90.0°
C4	C3	C2	C2A	180.0°	180.0°
C4	C3	C2	N1	0.1°	0.0°
C3	C4	C5	C6	0.1°	0.5°
C3	C4	C5	C5A	180.0°	179.7°
C5	C4	C3	O3	180.0°	179.7°
C5	C4	C3	C2	0.1°	0.3°
C4	C5	C6	N1	0.0°	0.5°
C4	C5	C6	C5A	180.0°	179.8°
C4	C5	C6	H6	180.0°	179.7°
C4	C5	C5A	O4P	53.5°	180.0°
C4	C5	C5A	H5A1	173.5°	60.0°
C4	C5	C5A	H5A2	66.5°	60.0°
O3	C3	C2	C2A	0.1°	0.1°
O3	C3	C2	N1	180.0°	179.9°
C2	C3	O3	HO3	129.3°	89.9°
C3	C2	C2A	N1	179.9°	180.0°
C3	C2	C2A	H2A1	41.2°	90.0°
C3	C2	C2A	H2A2	78.8°	150.0°
C3	C2	C2A	H2A3	161.2°	30.0°
C3	C2	N1	C6	0.0°	0.0°
C2	C2A	H2A1	H2A2	120.0°	120.0°
C2	C2A	H2A1	H2A3	120.0°	120.1°
C2	C2A	H2A2	H2A3	120.0°	120.0°
C2A	C2	N1	C6	179.9°	180.0°
N1	C2	C2A	H2A1	138.7°	89.9°
N1	C2	C2A	H2A2	101.3°	30.0°
N1	C2	C2A	H2A3	18.8°	150.0°
C2	N1	C6	C5	0.0°	0.2°
C2	N1	C6	H6	180.0°	179.9°
H2A1	C2A	H2A2	H2A3	120.0°	120.0°
N1	C6	C5	H6	180.0°	179.8°
N1	C6	C5	C5A	180.0°	179.7°
C6	C5	C5A	O4P	126.5°	0.2°
C6	C5	C5A	H5A1	6.5°	120.3°
C6	C5	C5A	H5A2	113.5°	119.8°
H6	C6	C5	C5A	0.0°	0.1°
C5	C5A	O4P	H5A1	120.0°	120.0°
C5	C5A	O4P	H5A2	120.0°	120.0°
C5	C5A	H5A1	H5A2	120.0°	119.9°
C5	C5A	O4P	P	174.7°	180.0°
O4P	C5A	H5A1	H5A2	120.0°	120.0°
C5A	O4P	P	O2P	145.7°	55.0°
C5A	O4P	P	O3P	94.3°	65.0°
C5A	O4P	P	O1P	25.7°	175.0°
H5A1	C5A	O4P	P	65.2°	60.0°
H5A2	C5A	O4P	P	54.7°	60.0°
O4P	P	O2P	O3P	112.7°	120.0°
O4P	P	O2P	O1P	112.6°	120.0°
O4P	P	O3P	O1P	112.6°	120.0°
O4P	P	O3P	HO3P	152.0°	60.0°
O4P	P	O1P	HO1P	4.5°	180.0°
O2P	P	O3P	O1P	134.7°	120.0°
O2P	P	O3P	HO3P	95.3°	180.0°
O2P	P	O1P	HO1P	108.1°	60.1°
O3P	P	O1P	HO1P	117.1°	59.9°
O1P	P	O3P	HO3P	39.4°	60.0°

Definition date:	2007-06-12
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB