Z98

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OXT	C	doub	1.21Å	1.25Å
CA	C	sing	1.51Å	1.57Å
C	O	sing	1.34Å	1.26Å
CA	N	sing	1.47Å	1.50Å
N	HN	sing	1.01Å	1.00Å
N	HNA	sing	1.01Å	1.00Å
O	HO	sing	0.97Å	0.95Å
OP2	P	doub	1.48Å	1.56Å
OP3	P	sing	1.61Å	1.59Å
P	OP1	sing	1.61Å	1.49Å
P	OP4	sing	1.61Å	1.66Å
C6	N1	doub	1.32Å	1.33Å	Aromatic
N1	C2	sing	1.32Å	1.35Å	Aromatic
C2	C2A	sing	1.51Å	1.55Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.40Å	1.38Å	Aromatic
C3	O3	sing	1.36Å	1.34Å
O3	HO3	sing	0.97Å	0.95Å
C5	C4	doub	1.40Å	1.40Å	Aromatic
C4	C4A	sing	1.48Å	1.42Å
C6	C5	sing	1.38Å	1.39Å	Aromatic
C5A	C5	sing	1.51Å	1.55Å
C6	H6	sing	1.08Å	1.08Å
CB	CA	sing	1.53Å	1.55Å
CA	HA	sing	1.09Å	1.10Å
CG	CB	sing	1.53Å	1.57Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
C4A	ND	doub	1.29Å	1.35Å
ND	CG	sing	1.46Å	1.51Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
C2A	H2A	sing	1.09Å	1.10Å
C2A	H2AA	sing	1.09Å	1.10Å
C2A	H2AB	sing	1.09Å	1.10Å
C4A	H4A	sing	1.08Å	1.08Å
OP4	C5A	sing	1.43Å	1.44Å
C5A	H5A	sing	1.09Å	1.10Å
C5A	H5AA	sing	1.09Å	1.10Å
OP1	HOP1	sing	0.97Å	0.95Å
OP3	HOP3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OXT	C	CA	117.8°	120.0°
OXT	C	O	124.7°	119.9°
CA	C	O	117.5°	120.1°
C	CA	N	110.1°	109.5°
C	CA	CB	112.3°	109.5°
C	CA	HA	107.4°	109.5°
C	O	HO	109.5°	117.0°
CA	N	HN	109.5°	111.0°
CA	N	HNA	109.5°	111.0°
N	CA	CB	110.5°	109.5°
N	CA	HA	109.4°	109.4°
HN	N	HNA	109.4°	111.0°
OP2	P	OP3	105.6°	109.5°
OP2	P	OP1	115.3°	109.5°
OP2	P	OP4	104.2°	109.5°
OP3	P	OP1	110.5°	109.5°
OP3	P	OP4	102.8°	109.5°
P	OP3	HOP3	109.5°	114.0°
OP1	P	OP4	117.2°	109.5°
P	OP1	HOP1	109.5°	114.0°
P	OP4	C5A	114.1°	123.0°
C6	N1	C2	121.9°	122.1°
N1	C6	C5	121.5°	121.1°
N1	C6	H6	119.2°	119.5°
N1	C2	C2A	121.6°	119.6°
N1	C2	C3	118.7°	120.8°
C2A	C2	C3	119.6°	119.6°
C2	C2A	H2A	109.5°	109.5°
C2	C2A	H2AA	109.4°	109.5°
C2	C2A	H2AB	109.5°	109.5°
C2	C3	C4	120.3°	118.9°
C2	C3	O3	119.7°	120.6°
C4	C3	O3	119.9°	120.6°
C3	C4	C5	119.6°	118.1°
C3	C4	C4A	121.6°	121.0°
C3	O3	HO3	109.5°	114.0°
C5	C4	C4A	118.7°	120.9°
C4	C5	C6	117.8°	119.0°
C4	C5	C5A	121.8°	120.5°
C4	C4A	ND	128.6°	119.9°
C4	C4A	H4A	115.7°	120.1°
C6	C5	C5A	120.4°	120.5°
C5	C6	H6	119.3°	119.4°
C5	C5A	OP4	116.5°	109.5°
C5	C5A	H5A	107.2°	109.5°
C5	C5A	H5AA	107.2°	109.5°
CB	CA	HA	107.0°	109.4°
CA	CB	CG	114.4°	109.5°
CA	CB	HB	107.8°	109.5°
CA	CB	HBA	107.9°	109.4°
CG	CB	HB	107.9°	109.5°
CG	CB	HBA	107.9°	109.4°
CB	CG	ND	114.8°	109.5°
CB	CG	HG	107.8°	109.5°
CB	CG	HGA	107.7°	109.4°
HB	CB	HBA	111.0°	109.5°
C4A	ND	CG	127.3°	120.0°
ND	C4A	H4A	115.7°	120.0°
ND	CG	HG	107.7°	109.5°
ND	CG	HGA	107.8°	109.5°
HG	CG	HGA	111.1°	109.5°
H2A	C2A	H2AA	109.5°	109.5°
H2A	C2A	H2AB	109.4°	109.4°
H2AA	C2A	H2AB	109.5°	109.4°
OP4	C5A	H5A	107.2°	109.5°
OP4	C5A	H5AA	107.2°	109.5°
H5A	C5A	H5AA	111.7°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OXT	C	CA	O	179.1°	179.7°
OXT	C	CA	N	144.8°	19.7°
OXT	C	O	HO	0.0°	0.3°
OXT	C	CA	CB	21.2°	100.3°
OXT	C	CA	HA	96.2°	139.7°
C	CA	N	CB	124.7°	120.1°
C	CA	N	HA	117.8°	120.0°
C	CA	N	HN	180.0°	63.9°
C	CA	N	HNA	60.0°	60.0°
CA	C	O	HO	179.0°	180.0°
C	CA	CB	HA	117.6°	120.0°
C	CA	CB	CG	83.1°	176.0°
C	CA	CB	HB	156.9°	63.9°
C	CA	CB	HBA	36.9°	56.1°
O	C	CA	N	36.1°	160.0°
O	C	CA	CB	159.7°	80.0°
O	C	CA	HA	82.9°	40.0°
CA	N	HN	HNA	120.0°	124.0°
N	CA	CB	HA	119.0°	119.9°
N	CA	CB	CG	153.6°	63.9°
N	CA	CB	HB	33.6°	56.1°
N	CA	CB	HBA	86.4°	176.2°
HN	N	CA	CB	55.3°	176.0°
HN	N	CA	HA	62.2°	56.1°
HNA	N	CA	CB	175.3°	60.0°
HNA	N	CA	HA	57.8°	179.9°
OP2	P	OP3	OP1	125.3°	120.0°
OP2	P	OP3	OP4	108.9°	120.0°
OP2	P	OP1	OP4	123.1°	120.0°
OP2	P	OP4	C5A	64.5°	55.0°
OP2	P	OP1	HOP1	0.0°	60.0°
OP2	P	OP3	HOP3	0.0°	180.0°
OP3	P	OP1	OP4	117.2°	120.0°
OP3	P	OP4	C5A	174.5°	65.0°
OP3	P	OP1	HOP1	119.7°	60.0°
OP1	P	OP4	C5A	64.2°	175.0°
OP1	P	OP3	HOP3	125.3°	60.0°
P	OP4	C5A	C5	114.8°	180.0°
P	OP4	C5A	H5A	5.2°	60.0°
P	OP4	C5A	H5AA	125.2°	60.0°
OP4	P	OP1	HOP1	123.1°	180.0°
OP4	P	OP3	HOP3	109.0°	60.0°
C6	N1	C2	C2A	180.0°	180.0°
C6	N1	C2	C3	1.1°	0.0°
N1	C6	C5	C4	0.9°	0.1°
N1	C6	C5	H6	180.0°	179.9°
N1	C6	C5	C5A	179.2°	179.9°
N1	C2	C2A	C3	178.9°	180.0°
N1	C2	C3	C4	1.8°	0.0°
N1	C2	C3	O3	179.5°	179.9°
C2	N1	C6	C5	0.6°	0.1°
C2	N1	C6	H6	179.4°	180.0°
N1	C2	C2A	H2A	0.0°	90.0°
N1	C2	C2A	H2AA	120.0°	150.0°
N1	C2	C2A	H2AB	120.0°	30.0°
C2A	C2	C3	C4	179.2°	180.0°
C2A	C2	C3	O3	0.5°	0.1°
C2	C2A	H2A	H2AA	120.0°	120.0°
C2	C2A	H2A	H2AB	120.0°	120.0°
C2	C2A	H2AA	H2AB	120.0°	120.0°
C2	C3	C4	O3	178.7°	179.9°
C2	C3	O3	HO3	180.0°	84.3°
C2	C3	C4	C5	2.1°	0.0°
C2	C3	C4	C4A	178.5°	179.9°
C3	C2	C2A	H2A	178.9°	90.0°
C3	C2	C2A	H2AA	61.1°	30.0°
C3	C2	C2A	H2AB	58.9°	150.0°
C4	C3	O3	HO3	1.3°	95.8°
C3	C4	C5	C4A	179.4°	179.9°
C3	C4	C5	C6	1.6°	0.0°
C3	C4	C5	C5A	179.9°	180.0°
C3	C4	C4A	ND	51.5°	56.5°
C3	C4	C4A	H4A	128.5°	123.6°
O3	C3	C4	C5	179.2°	179.9°
O3	C3	C4	C4A	0.2°	0.0°
C4	C5	C6	C5A	178.3°	180.0°
C4	C5	C6	H6	179.1°	180.0°
C5	C4	C4A	ND	129.1°	123.6°
C5	C4	C4A	H4A	50.9°	56.3°
C4	C5	C5A	OP4	174.4°	180.0°
C4	C5	C5A	H5A	65.6°	60.0°
C4	C5	C5A	H5AA	54.4°	60.0°
C4A	C4	C5	C6	179.0°	179.9°
C4A	C4	C5	C5A	0.7°	0.1°
C4	C4A	ND	H4A	180.0°	179.9°
C4	C4A	ND	CG	9.6°	6.9°
C6	C5	C5A	OP4	3.8°	0.0°
C6	C5	C5A	H5A	116.2°	120.0°
C6	C5	C5A	H5AA	123.8°	120.0°
C5A	C5	C6	H6	0.8°	0.0°
C5	C5A	OP4	H5A	120.0°	120.0°
C5	C5A	OP4	H5AA	120.0°	120.0°
C5	C5A	H5A	H5AA	117.1°	120.0°
CA	CB	CG	HB	120.0°	120.0°
CA	CB	CG	HBA	120.0°	119.9°
CA	CB	HB	HBA	118.0°	120.0°
CA	CB	CG	ND	137.3°	175.1°
CA	CB	CG	HG	102.7°	64.8°
CA	CB	CG	HGA	17.3°	55.1°
HA	CA	CB	CG	34.6°	56.0°
HA	CA	CB	HB	85.4°	176.1°
HA	CA	CB	HBA	154.6°	63.9°
CG	CB	HB	HBA	118.0°	120.0°
CB	CG	ND	C4A	133.4°	117.5°
CB	CG	ND	HG	120.0°	120.0°
CB	CG	ND	HGA	120.0°	120.0°
CB	CG	HG	HGA	117.8°	120.0°
HB	CB	CG	ND	17.3°	55.1°
HB	CB	CG	HG	137.3°	175.2°
HB	CB	CG	HGA	102.7°	64.9°
HBA	CB	CG	ND	102.7°	64.9°
HBA	CB	CG	HG	17.3°	55.1°
HBA	CB	CG	HGA	137.3°	175.1°
C4A	ND	CG	HG	13.4°	2.5°
C4A	ND	CG	HGA	106.6°	122.5°
ND	CG	HG	HGA	117.8°	120.0°
CG	ND	C4A	H4A	170.4°	173.0°
H2A	C2A	H2AA	H2AB	120.0°	120.0°
OP4	C5A	H5A	H5AA	117.1°	120.0°

Definition date:	2009-12-05
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3KOX