XP9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OXT	C	doub	1.21Å	1.27Å
C	O	sing	1.34Å	1.28Å
C	CA	sing	1.51Å	1.51Å
CA	N	sing	1.46Å	1.47Å
N	C1	sing	1.35Å	1.33Å
N	HN	sing	0.97Å	1.00Å
O	HO	sing	0.97Å	0.95Å
O2P	P	doub	1.48Å	1.50Å
P	O4P	sing	1.61Å	1.62Å
P	O1P	sing	1.61Å	1.54Å
P	O3P	sing	1.61Å	1.50Å
O1	C1	doub	1.21Å	1.25Å
C1	C2	sing	1.51Å	1.52Å
C2	C3	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.54Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.56Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	C7	sing	1.53Å	1.54Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.55Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	C9	sing	1.53Å	1.54Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C9	S9	sing	1.81Å	1.83Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
S9	HS9	sing	1.35Å	1.30Å
CA	CB	sing	1.53Å	1.53Å
CA	HA	sing	1.09Å	1.10Å
CB	O4P	sing	1.43Å	1.44Å
CB	CG	sing	1.53Å	1.55Å
CB	HB	sing	1.09Å	1.10Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
CG	HGB	sing	1.09Å	1.10Å
O1P	HO1P	sing	0.97Å	0.95Å
O3P	HO3P	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OXT	C	O	124.4°	120.0°
OXT	C	CA	118.1°	120.0°
O	C	CA	117.4°	120.0°
C	O	HO	109.5°	117.0°
C	CA	N	106.6°	109.5°
C	CA	CB	109.2°	109.5°
C	CA	HA	114.7°	109.4°
CA	N	C1	121.4°	120.0°
CA	N	HN	119.3°	120.0°
N	CA	CB	117.3°	109.5°
N	CA	HA	106.1°	109.5°
C1	N	HN	119.3°	120.0°
N	C1	O1	123.1°	120.0°
N	C1	C2	116.2°	120.0°
O2P	P	O4P	108.0°	109.4°
O2P	P	O1P	112.8°	109.5°
O2P	P	O3P	113.9°	109.5°
O4P	P	O1P	101.8°	109.5°
O4P	P	O3P	107.0°	109.5°
P	O4P	CB	119.6°	123.0°
O1P	P	O3P	112.3°	109.5°
P	O1P	HO1P	109.5°	114.0°
P	O3P	HO3P	109.5°	114.0°
O1	C1	C2	120.7°	120.0°
C1	C2	C3	112.4°	109.5°
C1	C2	H2	108.5°	109.5°
C1	C2	H2A	108.5°	109.5°
C3	C2	H2	108.5°	109.5°
C3	C2	H2A	108.5°	109.5°
C2	C3	C4	113.9°	109.4°
C2	C3	H3	108.0°	109.5°
C2	C3	H3A	108.0°	109.4°
H2	C2	H2A	110.4°	109.5°
C4	C3	H3	108.0°	109.5°
C4	C3	H3A	108.1°	109.4°
C3	C4	C5	114.6°	109.5°
C3	C4	H4	107.8°	109.5°
C3	C4	H4A	107.8°	109.4°
H3	C3	H3A	110.8°	109.5°
C5	C4	H4	107.8°	109.5°
C5	C4	H4A	107.8°	109.4°
C4	C5	C6	113.7°	109.5°
C4	C5	H5	108.1°	109.5°
C4	C5	H5A	108.1°	109.4°
H4	C4	H4A	111.0°	109.5°
C6	C5	H5	108.1°	109.5°
C6	C5	H5A	108.1°	109.5°
C5	C6	C7	113.5°	109.5°
C5	C6	H6	108.1°	109.5°
C5	C6	H6A	108.1°	109.5°
H5	C5	H5A	110.9°	109.4°
C7	C6	H6	108.2°	109.4°
C7	C6	H6A	108.2°	109.5°
C6	C7	C8	121.4°	109.5°
C6	C7	H7	105.7°	109.4°
C6	C7	H7A	105.6°	109.5°
H6	C6	H6A	110.8°	109.5°
C8	C7	H7	105.7°	109.5°
C8	C7	H7A	105.7°	109.5°
C7	C8	C9	119.9°	109.5°
C7	C8	H8	106.2°	109.5°
C7	C8	H8A	106.1°	109.5°
H7	C7	H7A	113.0°	109.5°
C9	C8	H8	106.2°	109.5°
C9	C8	H8A	106.1°	109.4°
C8	C9	S9	108.2°	109.5°
C8	C9	H9	109.9°	109.5°
C8	C9	H9A	109.9°	109.4°
H8	C8	H8A	112.6°	109.5°
S9	C9	H9	109.9°	109.5°
S9	C9	H9A	109.9°	109.5°
C9	S9	HS9	102.0°	103.0°
H9	C9	H9A	109.0°	109.5°
CB	CA	HA	103.2°	109.4°
CA	CB	O4P	108.3°	109.5°
CA	CB	CG	112.0°	109.5°
CA	CB	HB	107.5°	109.5°
O4P	CB	CG	105.9°	109.4°
O4P	CB	HB	113.5°	109.5°
CG	CB	HB	109.8°	109.5°
CB	CG	HG	109.5°	109.5°
CB	CG	HGA	109.5°	109.5°
CB	CG	HGB	109.5°	109.4°
HG	CG	HGA	109.4°	109.5°
HG	CG	HGB	109.4°	109.4°
HGA	CG	HGB	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OXT	C	O	CA	179.5°	179.7°
OXT	C	CA	N	150.7°	0.2°
OXT	C	O	HO	0.0°	0.3°
OXT	C	CA	CB	81.6°	120.3°
OXT	C	CA	HA	33.7°	119.7°
O	C	CA	N	29.8°	180.0°
O	C	CA	CB	97.9°	60.0°
O	C	CA	HA	146.8°	60.0°
C	CA	N	CB	122.7°	120.1°
C	CA	N	HA	122.6°	120.0°
C	CA	N	C1	134.5°	84.9°
C	CA	N	HN	45.5°	95.0°
CA	C	O	HO	179.5°	179.9°
C	CA	CB	HA	122.4°	120.0°
C	CA	CB	O4P	57.0°	55.0°
C	CA	CB	CG	173.4°	175.0°
C	CA	CB	HB	65.9°	65.0°
CA	N	C1	HN	180.0°	179.9°
CA	N	C1	O1	3.7°	0.1°
CA	N	C1	C2	175.5°	180.0°
N	CA	CB	HA	116.2°	120.0°
N	CA	CB	O4P	64.3°	65.0°
N	CA	CB	CG	52.0°	54.9°
N	CA	CB	HB	172.7°	175.0°
N	C1	O1	C2	179.1°	180.0°
N	C1	C2	C3	164.1°	179.9°
N	C1	C2	H2	44.1°	60.0°
N	C1	C2	H2A	75.9°	60.0°
C1	N	CA	CB	102.8°	155.0°
C1	N	CA	HA	11.8°	35.0°
HN	N	C1	O1	176.3°	180.0°
HN	N	C1	C2	4.5°	0.1°
HN	N	CA	CB	77.2°	25.1°
HN	N	CA	HA	168.2°	145.0°
O2P	P	O4P	O1P	119.0°	120.0°
O2P	P	O4P	O3P	123.0°	120.0°
O2P	P	O1P	O3P	130.3°	120.0°
O2P	P	O4P	CB	48.2°	55.0°
O2P	P	O1P	HO1P	0.0°	60.0°
O2P	P	O3P	HO3P	0.0°	180.0°
O4P	P	O1P	O3P	114.1°	120.0°
P	O4P	CB	CA	141.1°	120.0°
P	O4P	CB	CG	98.7°	120.0°
P	O4P	CB	HB	21.8°	0.0°
O4P	P	O1P	HO1P	115.5°	180.0°
O4P	P	O3P	HO3P	119.3°	60.0°
O1P	P	O4P	CB	167.2°	175.0°
O1P	P	O3P	HO3P	129.8°	60.0°
O3P	P	O4P	CB	74.8°	65.0°
O3P	P	O1P	HO1P	130.3°	60.0°
O1	C1	C2	C3	15.1°	0.0°
O1	C1	C2	H2	135.1°	120.0°
O1	C1	C2	H2A	104.9°	120.0°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	C3	H2A	120.0°	120.0°
C1	C2	H2	H2A	118.8°	120.0°
C1	C2	C3	C4	169.7°	180.0°
C1	C2	C3	H3	70.3°	60.0°
C1	C2	C3	H3A	49.7°	60.0°
C3	C2	H2	H2A	118.8°	120.0°
C2	C3	C4	H3	120.0°	120.0°
C2	C3	C4	H3A	120.0°	119.9°
C2	C3	H3	H3A	118.2°	120.0°
C2	C3	C4	C5	56.9°	180.0°
C2	C3	C4	H4	176.9°	60.0°
C2	C3	C4	H4A	63.1°	60.1°
H2	C2	C3	C4	49.7°	59.9°
H2	C2	C3	H3	169.7°	180.0°
H2	C2	C3	H3A	70.4°	60.0°
H2A	C2	C3	C4	70.3°	60.0°
H2A	C2	C3	H3	49.7°	60.0°
H2A	C2	C3	H3A	169.7°	180.0°
C4	C3	H3	H3A	118.2°	120.0°
C3	C4	C5	H4	120.0°	120.1°
C3	C4	C5	H4A	120.0°	119.9°
C3	C4	H4	H4A	117.9°	120.0°
C3	C4	C5	C6	42.7°	180.0°
C3	C4	C5	H5	162.7°	59.9°
C3	C4	C5	H5A	77.3°	60.0°
H3	C3	C4	C5	63.2°	60.0°
H3	C3	C4	H4	56.9°	NaN°
H3	C3	C4	H4A	176.8°	59.9°
H3A	C3	C4	C5	176.9°	60.1°
H3A	C3	C4	H4	63.1°	59.9°
H3A	C3	C4	H4A	56.9°	180.0°
C5	C4	H4	H4A	117.9°	119.9°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	120.0°	120.0°
C4	C5	H5	H5A	118.2°	119.9°
C4	C5	C6	C7	61.1°	180.0°
C4	C5	C6	H6	178.9°	60.0°
C4	C5	C6	H6A	58.9°	60.0°
H4	C4	C5	C6	77.4°	60.0°
H4	C4	C5	H5	42.6°	180.0°
H4	C4	C5	H5A	162.6°	60.1°
H4A	C4	C5	C6	162.7°	60.0°
H4A	C4	C5	H5	77.3°	60.0°
H4A	C4	C5	H5A	42.7°	179.9°
C6	C5	H5	H5A	118.3°	120.0°
C5	C6	C7	H6	120.0°	120.0°
C5	C6	C7	H6A	120.0°	120.0°
C5	C6	H6	H6A	118.3°	120.0°
C5	C6	C7	C8	74.8°	180.0°
C5	C6	C7	H7	165.2°	60.0°
C5	C6	C7	H7A	45.2°	60.0°
H5	C5	C6	C7	59.0°	60.0°
H5	C5	C6	H6	61.1°	NaN°
H5	C5	C6	H6A	179.0°	60.0°
H5A	C5	C6	C7	179.0°	60.0°
H5A	C5	C6	H6	59.0°	60.0°
H5A	C5	C6	H6A	61.0°	180.0°
C7	C6	H6	H6A	118.4°	120.0°
C6	C7	C8	H7	120.0°	120.0°
C6	C7	C8	H7A	120.0°	120.0°
C6	C7	H7	H7A	115.0°	120.0°
C6	C7	C8	C9	33.7°	180.0°
C6	C7	C8	H8	153.7°	60.0°
C6	C7	C8	H8A	86.3°	60.0°
H6	C6	C7	C8	45.2°	60.0°
H6	C6	C7	H7	74.8°	180.0°
H6	C6	C7	H7A	165.2°	60.0°
H6A	C6	C7	C8	165.2°	60.0°
H6A	C6	C7	H7	45.2°	60.0°
H6A	C6	C7	H7A	74.8°	NaN°
C8	C7	H7	H7A	115.1°	120.0°
C7	C8	C9	H8	120.0°	120.0°
C7	C8	C9	H8A	120.0°	120.0°
C7	C8	H8	H8A	115.7°	120.0°
C7	C8	C9	S9	164.8°	180.0°
C7	C8	C9	H9	44.8°	60.0°
C7	C8	C9	H9A	75.2°	60.0°
H7	C7	C8	C9	86.3°	60.0°
H7	C7	C8	H8	33.7°	180.0°
H7	C7	C8	H8A	153.7°	60.0°
H7A	C7	C8	C9	153.7°	60.0°
H7A	C7	C8	H8	86.3°	60.0°
H7A	C7	C8	H8A	33.7°	180.0°
C9	C8	H8	H8A	115.7°	119.9°
C8	C9	S9	H9	120.0°	120.0°
C8	C9	S9	H9A	120.0°	119.9°
C8	C9	H9	H9A	120.5°	119.9°
C8	C9	S9	HS9	180.0°	179.9°
H8	C8	C9	S9	75.1°	60.0°
H8	C8	C9	H9	164.9°	180.0°
H8	C8	C9	H9A	44.9°	60.0°
H8A	C8	C9	S9	44.8°	60.0°
H8A	C8	C9	H9	75.1°	60.0°
H8A	C8	C9	H9A	164.9°	180.0°
S9	C9	H9	H9A	120.5°	120.0°
H9	C9	S9	HS9	60.0°	60.0°
H9A	C9	S9	HS9	60.0°	60.0°
CA	CB	O4P	CG	120.3°	120.0°
CA	CB	O4P	HB	119.2°	120.0°
CA	CB	CG	HB	119.3°	120.0°
CA	CB	CG	HG	180.0°	59.9°
CA	CB	CG	HGA	60.0°	180.0°
CA	CB	CG	HGB	60.0°	60.0°
HA	CA	CB	O4P	179.4°	175.0°
HA	CA	CB	CG	64.2°	65.1°
HA	CA	CB	HB	56.5°	55.0°
O4P	CB	CG	HB	122.9°	120.0°
O4P	CB	CG	HG	62.2°	60.0°
O4P	CB	CG	HGA	177.8°	60.0°
O4P	CB	CG	HGB	57.8°	180.0°
CB	CG	HG	HGA	120.0°	120.1°
CB	CG	HG	HGB	120.0°	120.0°
CB	CG	HGA	HGB	120.0°	120.0°
HB	CB	CG	HG	60.6°	180.0°
HB	CB	CG	HGA	59.3°	60.0°
HB	CB	CG	HGB	179.4°	60.0°
HG	CG	HGA	HGB	119.9°	120.0°

Definition date:	2010-03-12
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3M30