5Q7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C7	sing	1.38Å	1.31Å
C7	O	sing	1.35Å	1.40Å	Aromatic
C7	C5	doub	1.39Å	1.44Å	Aromatic
O	C4	sing	1.34Å	1.47Å	Aromatic
C5	C6	sing	1.43Å	1.48Å
C5	N	sing	1.36Å	1.33Å	Aromatic
C1	C	sing	1.53Å	1.53Å
C1	C3	sing	1.53Å	1.54Å
C1	C2	sing	1.53Å	1.52Å
C4	C3	sing	1.51Å	1.47Å
C4	N	doub	1.30Å	1.30Å	Aromatic
C6	N1	trip	1.14Å	1.14Å
N2	H1	sing	0.97Å	1.00Å
N2	H2	sing	0.97Å	1.00Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C7	O	119.9°	126.7°
N2	C7	C5	138.9°	126.7°
C7	N2	H1	109.5°	120.0°
C7	N2	H2	109.5°	120.0°
O	C7	C5	101.1°	106.5°
C7	O	C4	106.1°	108.3°
C7	C5	C6	128.6°	126.6°
C7	C5	N	116.0°	106.8°
O	C4	C3	117.7°	125.1°
O	C4	N	112.0°	109.7°
C6	C5	N	115.5°	126.6°
C5	C6	N1	179.7°	179.9°
C5	N	C4	104.8°	108.7°
C	C1	C3	111.3°	109.5°
C	C1	C2	111.1°	109.5°
C	C1	H5	108.0°	109.5°
C1	C	H9	109.5°	109.5°
C1	C	H10	109.4°	109.5°
C1	C	H11	109.4°	109.5°
C3	C1	C2	110.5°	109.4°
C1	C3	C4	115.1°	109.5°
C1	C3	H3	108.1°	109.5°
C1	C3	H4	108.0°	109.5°
C3	C1	H5	107.8°	109.5°
C2	C1	H5	108.0°	109.5°
C1	C2	H6	109.5°	109.5°
C1	C2	H7	109.5°	109.5°
C1	C2	H8	109.5°	109.5°
C3	C4	N	130.3°	125.1°
C4	C3	H3	108.0°	109.5°
C4	C3	H4	108.0°	109.5°
H1	N2	H2	109.5°	120.0°
H3	C3	H4	109.5°	109.5°
H6	C2	H7	109.5°	109.4°
H6	C2	H8	109.4°	109.4°
H7	C2	H8	109.5°	109.5°
H9	C	H10	109.5°	109.5°
H9	C	H11	109.5°	109.4°
H10	C	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C7	O	C5	179.8°	179.9°
N2	C7	O	C4	180.0°	180.0°
N2	C7	C5	C6	0.0°	0.1°
N2	C7	C5	N	179.8°	179.9°
C7	N2	H1	H2	120.0°	180.0°
O	C7	C5	C6	179.7°	179.8°
O	C7	C5	N	0.4°	0.0°
C7	O	C4	C3	178.6°	180.0°
C7	O	C4	N	0.0°	0.2°
O	C7	N2	H1	0.0°	0.0°
O	C7	N2	H2	120.0°	180.0°
C5	C7	O	C4	0.2°	0.1°
C7	C5	C6	N	179.9°	179.7°
C7	C5	N	C4	0.4°	0.1°
C7	C5	C6	N1	155.6°	132.1°
C5	C7	N2	H1	179.7°	179.9°
C5	C7	N2	H2	59.7°	0.1°
O	C4	N	C5	0.2°	0.2°
O	C4	C3	C1	37.1°	90.3°
O	C4	C3	N	178.3°	179.8°
O	C4	C3	H3	83.7°	29.7°
O	C4	C3	H4	157.9°	149.7°
C6	C5	N	C4	179.7°	179.9°
C5	N	C4	C3	178.6°	180.0°
N	C5	C6	N1	24.6°	48.1°
C	C1	C3	C2	123.9°	120.0°
C	C1	C3	H5	118.2°	120.0°
C	C1	C2	H5	118.3°	120.1°
C	C1	C3	C4	51.5°	175.0°
C	C1	C3	H3	172.3°	65.0°
C	C1	C3	H4	69.3°	55.0°
C	C1	C2	H6	180.0°	180.0°
C	C1	C2	H7	60.0°	60.0°
C	C1	C2	H8	60.0°	60.0°
C1	C	H9	H10	120.0°	120.0°
C1	C	H9	H11	120.0°	120.0°
C1	C	H10	H11	120.0°	120.1°
C3	C1	C2	H5	117.7°	120.0°
C1	C3	C4	H3	120.8°	120.0°
C1	C3	C4	H4	120.8°	120.0°
C1	C3	C4	N	141.2°	90.0°
C1	C3	H3	H4	117.4°	120.0°
C3	C1	C2	H6	56.0°	60.0°
C3	C1	C2	H7	176.0°	60.0°
C3	C1	C2	H8	64.0°	180.0°
C3	C1	C	H9	180.0°	60.0°
C3	C1	C	H10	60.0°	180.0°
C3	C1	C	H11	60.0°	60.0°
C2	C1	C3	C4	175.4°	65.0°
C2	C1	C3	H3	63.8°	55.0°
C2	C1	C3	H4	54.6°	175.0°
C1	C2	H6	H7	120.0°	120.1°
C1	C2	H6	H8	120.0°	120.0°
C1	C2	H7	H8	120.0°	120.1°
C2	C1	C	H9	56.4°	179.9°
C2	C1	C	H10	176.4°	60.0°
C2	C1	C	H11	63.6°	60.0°
C4	C3	H3	H4	117.4°	120.0°
C4	C3	C1	H5	66.7°	55.0°
N	C4	C3	H3	98.0°	150.0°
N	C4	C3	H4	20.4°	30.0°
H3	C3	C1	H5	54.1°	175.0°
H4	C3	C1	H5	172.4°	65.0°
H5	C1	C2	H6	61.7°	59.9°
H5	C1	C2	H7	58.3°	179.9°
H5	C1	C2	H8	178.3°	60.0°
H5	C1	C	H9	61.9°	60.0°
H5	C1	C	H10	58.1°	60.0°
H5	C1	C	H11	178.1°	180.0°
H6	C2	H7	H8	120.0°	119.9°
H9	C	H10	H11	120.0°	119.9°

Release date:	2016-04-27
Definition date:	2015-11-09
Last modified:	2016-04-22
Release status:	REL
Processing site:	EBI
Derived from:	5ENF