Q08

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C7	sing	1.47Å	1.57Å
C6	C5	sing	1.53Å	1.51Å
C7	C3	sing	1.53Å	1.58Å
C7	P	sing	1.82Å	1.84Å
C4	C3	sing	1.53Å	1.56Å
C4	C5	sing	1.53Å	1.50Å
O1	P	doub	1.48Å	1.57Å
C3	C2	sing	1.53Å	1.58Å
O	P	sing	1.61Å	1.60Å
P	O2	sing	1.61Å	1.45Å
C2	C1	sing	1.53Å	1.57Å
C1	C	sing	1.53Å	1.56Å
O2	H1	sing	0.97Å	0.95Å
O	H2	sing	0.97Å	0.95Å
C7	H3	sing	1.09Å	1.10Å
N	H4	sing	1.01Å	1.00Å
N	H5	sing	1.01Å	1.00Å
C3	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C1	H17	sing	1.09Å	1.10Å
C1	H18	sing	1.09Å	1.10Å
C	H19	sing	1.09Å	1.10Å
C	H20	sing	1.09Å	1.10Å
C	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C7	C3	126.3°	109.5°
N	C7	P	108.9°	109.4°
N	C7	H3	104.3°	109.4°
C7	N	H4	109.5°	111.0°
C7	N	H5	109.5°	111.0°
C6	C5	C4	116.4°	109.5°
C6	C5	H10	107.7°	109.5°
C6	C5	H11	107.7°	109.5°
C5	C6	H12	109.5°	109.5°
C5	C6	H13	109.5°	109.5°
C5	C6	H14	109.5°	109.5°
C3	C7	P	108.1°	109.5°
C7	C3	C4	115.8°	109.5°
C7	C3	C2	119.8°	109.5°
C3	C7	H3	104.3°	109.5°
C7	C3	H7	102.9°	109.5°
C7	P	O1	101.2°	109.5°
C7	P	O	112.7°	109.5°
C7	P	O2	115.6°	109.5°
P	C7	H3	102.2°	109.5°
C3	C4	C5	112.5°	109.5°
C4	C3	C2	109.6°	109.5°
C4	C3	H7	103.1°	109.4°
C3	C4	H8	108.7°	109.5°
C3	C4	H9	108.7°	109.5°
C5	C4	H8	108.7°	109.4°
C5	C4	H9	108.7°	109.5°
C4	C5	H10	107.7°	109.5°
C4	C5	H11	107.7°	109.5°
O1	P	O	106.9°	109.5°
O1	P	O2	98.4°	109.5°
C3	C2	C1	121.8°	109.4°
C2	C3	H7	102.9°	109.5°
C3	C2	H15	106.3°	109.5°
C3	C2	H16	106.3°	109.4°
O	P	O2	118.7°	109.5°
P	O	H2	109.5°	114.0°
P	O2	H1	109.5°	113.9°
C2	C1	C	120.6°	109.5°
C1	C2	H15	106.3°	109.5°
C1	C2	H16	106.3°	109.5°
C2	C1	H17	106.7°	109.5°
C2	C1	H18	106.6°	109.5°
C	C1	H17	106.6°	109.4°
C	C1	H18	106.6°	109.4°
C1	C	H19	109.5°	109.5°
C1	C	H20	109.5°	109.4°
C1	C	H21	109.4°	109.4°
H4	N	H5	109.4°	111.0°
H8	C4	H9	109.5°	109.5°
H10	C5	H11	109.5°	109.5°
H12	C6	H13	109.5°	109.5°
H12	C6	H14	109.5°	109.5°
H13	C6	H14	109.5°	109.4°
H15	C2	H16	109.5°	109.5°
H17	C1	H18	109.4°	109.4°
H19	C	H20	109.5°	109.5°
H19	C	H21	109.5°	109.5°
H20	C	H21	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C7	C3	P	131.6°	120.0°
N	C7	C3	H3	120.2°	120.0°
N	C7	P	H3	109.9°	119.9°
N	C7	C3	C4	34.2°	65.3°
N	C7	P	O1	42.1°	60.0°
N	C7	C3	C2	100.8°	174.7°
N	C7	P	O	156.0°	60.0°
N	C7	P	O2	62.9°	180.0°
C7	N	H4	H5	120.0°	123.9°
N	C7	C3	H7	145.9°	54.7°
C6	C5	C4	C3	148.9°	174.8°
C6	C5	C4	H10	121.0°	120.0°
C6	C5	C4	H11	121.0°	120.0°
C6	C5	C4	H8	28.5°	65.3°
C6	C5	C4	H9	90.6°	54.7°
C6	C5	H10	H11	116.8°	120.0°
C5	C6	H12	H13	120.0°	120.1°
C5	C6	H12	H14	120.0°	120.0°
C5	C6	H13	H14	120.0°	120.0°
C3	C7	P	H3	109.6°	120.1°
C7	C3	C4	C2	139.4°	120.0°
C7	C3	C4	H7	111.6°	120.0°
C7	C3	C4	C5	178.4°	62.5°
C3	C7	P	O1	177.4°	60.0°
C7	C3	C2	H7	113.3°	120.0°
C3	C7	P	O	63.6°	180.0°
C3	C7	P	O2	77.5°	60.0°
C7	C3	C2	C1	163.4°	64.8°
C3	C7	N	H4	180.0°	55.1°
C3	C7	N	H5	60.0°	179.0°
C7	C3	C4	H8	58.0°	57.4°
C7	C3	C4	H9	61.1°	177.5°
C7	C3	C2	H15	74.9°	175.3°
C7	C3	C2	H16	41.7°	55.2°
P	C7	C3	C4	165.8°	54.7°
C7	P	O1	O	118.1°	120.0°
C7	P	O1	O2	118.3°	120.0°
P	C7	C3	C2	30.8°	65.3°
C7	P	O	O2	139.7°	120.0°
C7	P	O2	H1	106.7°	175.0°
C7	P	O	H2	110.3°	60.0°
P	C7	N	H4	48.7°	175.1°
P	C7	N	H5	71.3°	61.0°
P	C7	C3	H7	82.5°	174.6°
C3	C4	C5	H8	120.4°	120.0°
C3	C4	C5	H9	120.5°	120.0°
C4	C3	C2	H7	109.2°	119.9°
C4	C3	C2	C1	59.2°	175.2°
C4	C3	C7	H3	86.0°	174.7°
C3	C4	H8	H9	118.6°	120.1°
C3	C4	C5	H10	27.9°	54.7°
C3	C4	C5	H11	90.1°	65.3°
C4	C3	C2	H15	62.6°	55.2°
C4	C3	C2	H16	179.1°	64.8°
C5	C4	C3	C2	42.2°	177.5°
C5	C4	C3	H7	66.9°	57.5°
C5	C4	H8	H9	118.6°	120.0°
C4	C5	H10	H11	116.9°	120.0°
C4	C5	C6	H12	180.0°	180.0°
C4	C5	C6	H13	60.0°	60.0°
C4	C5	C6	H14	60.0°	60.0°
O1	P	O	O2	110.0°	120.0°
O1	P	O2	H1	0.0°	55.0°
O1	P	O	H2	0.0°	180.0°
O1	P	C7	H3	67.8°	180.0°
C3	C2	C1	H15	121.7°	120.0°
C3	C2	C1	H16	121.7°	120.0°
C3	C2	C1	C	147.2°	175.2°
C2	C3	C7	H3	139.0°	54.7°
C2	C3	C4	H8	162.7°	62.6°
C2	C3	C4	H9	78.3°	57.5°
C3	C2	H15	H16	114.4°	120.0°
C3	C2	C1	H17	25.7°	55.2°
C3	C2	C1	H18	91.2°	64.8°
O	P	O2	H1	114.7°	65.0°
O	P	C7	H3	46.0°	60.0°
O2	P	O	H2	110.0°	60.0°
O2	P	C7	H3	172.9°	60.0°
C2	C1	C	H17	121.6°	120.1°
C2	C1	C	H18	121.6°	120.0°
C1	C2	C3	H7	50.0°	55.3°
C1	C2	H15	H16	114.4°	120.0°
C2	C1	H17	H18	115.0°	120.1°
C2	C1	C	H19	180.0°	180.0°
C2	C1	C	H20	60.0°	60.0°
C2	C1	C	H21	60.0°	60.0°
C	C1	C2	H15	91.0°	64.8°
C	C1	C2	H16	25.5°	55.2°
C	C1	H17	H18	115.0°	119.9°
C1	C	H19	H20	120.0°	120.0°
C1	C	H19	H21	120.0°	120.0°
C1	C	H20	H21	120.0°	119.9°
H3	C7	N	H4	59.8°	65.0°
H3	C7	N	H5	179.8°	59.0°
H3	C7	C3	H7	25.7°	65.3°
H7	C3	C4	H8	53.6°	177.4°
H7	C3	C4	H9	172.7°	62.5°
H7	C3	C2	H15	171.7°	64.7°
H7	C3	C2	H16	71.7°	175.3°
H8	C4	C5	H10	92.5°	174.7°
H8	C4	C5	H11	149.5°	54.7°
H9	C4	C5	H10	148.4°	65.3°
H9	C4	C5	H11	30.4°	174.7°
H10	C5	C6	H12	59.0°	60.0°
H10	C5	C6	H13	61.0°	180.0°
H10	C5	C6	H14	179.0°	60.0°
H11	C5	C6	H12	59.0°	60.0°
H11	C5	C6	H13	179.0°	60.0°
H11	C5	C6	H14	61.0°	180.0°
H12	C6	H13	H14	120.0°	119.9°
H15	C2	C1	H17	147.4°	175.2°
H15	C2	C1	H18	30.5°	55.2°
H16	C2	C1	H17	96.0°	64.8°
H16	C2	C1	H18	147.1°	175.2°
H17	C1	C	H19	58.4°	59.9°
H17	C1	C	H20	178.4°	180.0°
H17	C1	C	H21	61.6°	60.1°
H18	C1	C	H19	58.4°	60.0°
H18	C1	C	H20	61.6°	60.1°
H18	C1	C	H21	178.4°	180.0°
H19	C	H20	H21	120.0°	120.1°

Release date:	2015-03-25
Definition date:	2014-07-29
Last modified:	2015-03-20
Release status:	REL
Processing site:	RCSB
Derived from:	4U1B