7KX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C3	doub	1.21Å	1.23Å
C1	C2	sing	1.53Å	1.52Å
C2	C3	sing	1.51Å	1.51Å
C3	N1	sing	1.35Å	1.35Å
N1	C4	sing	1.40Å	1.41Å
C4	C5	doub	1.39Å	1.39Å	Aromatic
C4	C9	sing	1.39Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C9	C8	doub	1.39Å	1.40Å	Aromatic
C6	C7	doub	1.38Å	1.38Å	Aromatic
C8	C7	sing	1.39Å	1.39Å	Aromatic
C8	C10	sing	1.48Å	1.49Å
C12	C13	doub	1.34Å	1.35Å	Aromatic
C12	C11	sing	1.46Å	1.44Å	Aromatic
C13	N2	sing	1.37Å	1.37Å	Aromatic
C11	C10	doub	1.40Å	1.42Å	Aromatic
C11	C14	sing	1.41Å	1.42Å	Aromatic
C10	N4	sing	1.33Å	1.34Å	Aromatic
N2	C14	sing	1.37Å	1.37Å	Aromatic
C14	N3	doub	1.33Å	1.34Å	Aromatic
N4	C15	doub	1.32Å	1.33Å	Aromatic
N3	C15	sing	1.32Å	1.33Å	Aromatic
N2	H1	sing	0.97Å	1.00Å
C7	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
N1	H11	sing	0.97Å	1.00Å
C5	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C3	C2	121.8°	120.0°
O1	C3	N1	124.0°	120.0°
C1	C2	C3	112.1°	109.4°
C2	C1	H6	109.5°	109.5°
C2	C1	H7	109.5°	109.4°
C2	C1	H8	109.5°	109.5°
C1	C2	H9	108.8°	109.5°
C1	C2	H10	108.8°	109.5°
C2	C3	N1	114.2°	120.0°
C3	C2	H9	108.8°	109.5°
C3	C2	H10	108.8°	109.4°
C3	N1	C4	127.4°	120.0°
C3	N1	H11	116.3°	120.0°
N1	C4	C5	119.8°	120.0°
N1	C4	C9	120.2°	120.0°
C4	N1	H11	116.3°	120.0°
C5	C4	C9	119.7°	120.0°
C4	C5	C6	119.9°	120.2°
C4	C5	H12	120.0°	119.9°
C4	C9	C8	120.6°	119.8°
C4	C9	H4	119.7°	120.1°
C5	C6	C7	120.1°	120.2°
C5	C6	H3	119.9°	119.9°
C6	C5	H12	120.1°	119.9°
C9	C8	C7	118.7°	119.8°
C9	C8	C10	120.6°	120.0°
C8	C9	H4	119.7°	120.2°
C6	C7	C8	120.8°	120.0°
C6	C7	H2	119.6°	120.0°
C7	C6	H3	119.9°	119.8°
C7	C8	C10	120.7°	120.1°
C8	C7	H2	119.6°	120.0°
C8	C10	C11	123.1°	120.8°
C8	C10	N4	115.0°	120.9°
C13	C12	C11	106.4°	106.8°
C12	C13	N2	110.2°	109.9°
C12	C13	H5	124.9°	125.0°
C13	C12	H13	126.8°	126.6°
C12	C11	C10	139.6°	135.2°
C12	C11	C14	107.1°	106.2°
C11	C12	H13	126.8°	126.6°
C13	N2	C14	109.7°	110.1°
C13	N2	H1	125.2°	124.9°
N2	C13	H5	124.9°	125.1°
C10	C11	C14	113.3°	118.6°
C11	C10	N4	121.9°	118.2°
C11	C14	N2	106.7°	107.1°
C11	C14	N3	126.1°	118.5°
C10	N4	C15	117.2°	121.1°
N2	C14	N3	127.2°	134.4°
C14	N2	H1	125.1°	125.0°
C14	N3	C15	113.0°	120.7°
N4	C15	N3	128.5°	122.8°
N4	C15	H14	115.7°	118.6°
N3	C15	H14	115.8°	118.6°
H6	C1	H7	109.5°	109.5°
H6	C1	H8	109.5°	109.5°
H7	C1	H8	109.4°	109.5°
H9	C2	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C3	C2	C1	127.5°	0.0°
O1	C3	C2	N1	179.7°	179.9°
O1	C3	N1	C4	2.3°	4.7°
O1	C3	C2	H9	112.1°	120.1°
O1	C3	C2	H10	7.1°	119.9°
O1	C3	N1	H11	177.7°	175.3°
C1	C2	C3	H9	120.4°	120.0°
C1	C2	C3	H10	120.4°	120.0°
C1	C2	C3	N1	52.2°	180.0°
C2	C1	H6	H7	120.0°	119.9°
C2	C1	H6	H8	120.0°	120.0°
C2	C1	H7	H8	120.0°	120.0°
C1	C2	H9	H10	118.8°	120.0°
C2	C3	N1	C4	178.0°	175.4°
C3	C2	C1	H6	180.0°	60.0°
C3	C2	C1	H7	60.0°	180.0°
C3	C2	C1	H8	60.0°	60.0°
C3	C2	H9	H10	118.8°	120.0°
C2	C3	N1	H11	2.0°	4.6°
C3	N1	C4	H11	180.0°	180.0°
C3	N1	C4	C5	48.0°	144.9°
C3	N1	C4	C9	137.1°	35.4°
N1	C3	C2	H9	68.2°	60.0°
N1	C3	C2	H10	172.6°	60.0°
N1	C4	C5	C9	174.9°	179.7°
N1	C4	C5	C6	173.1°	179.8°
N1	C4	C9	C8	172.5°	179.7°
N1	C4	C9	H4	7.5°	0.3°
N1	C4	C5	H12	6.9°	0.4°
C4	C5	C6	H12	180.0°	179.9°
C5	C4	C9	C8	2.4°	0.0°
C4	C5	C6	C7	0.0°	0.1°
C4	C5	C6	H3	180.0°	179.9°
C5	C4	C9	H4	177.6°	179.9°
C5	C4	N1	H11	132.0°	35.1°
C9	C4	C5	C6	1.8°	0.1°
C4	C9	C8	H4	180.0°	180.0°
C4	C9	C8	C7	1.1°	0.0°
C4	C9	C8	C10	180.0°	180.0°
C9	C4	N1	H11	42.9°	144.6°
C9	C4	C5	H12	178.2°	180.0°
C5	C6	C7	H3	180.0°	180.0°
C5	C6	C7	C8	1.3°	0.0°
C5	C6	C7	H2	178.7°	179.9°
C9	C8	C7	C6	0.7°	0.1°
C9	C8	C7	C10	178.9°	180.0°
C9	C8	C10	C11	142.2°	145.0°
C9	C8	C10	N4	35.4°	35.0°
C9	C8	C7	H2	179.3°	180.0°
C6	C7	C8	H2	180.0°	179.9°
C6	C7	C8	C10	178.1°	180.0°
C7	C6	C5	H12	180.0°	179.9°
C7	C8	C10	C11	36.6°	35.0°
C7	C8	C10	N4	145.7°	145.0°
C8	C7	C6	H3	178.7°	180.0°
C7	C8	C9	H4	178.9°	180.0°
C8	C10	C11	C12	4.4°	0.0°
C8	C10	C11	N4	177.5°	180.0°
C8	C10	C11	C14	176.9°	179.9°
C8	C10	N4	C15	176.5°	180.0°
C10	C8	C7	H2	1.9°	0.0°
C10	C8	C9	H4	0.0°	0.0°
C13	C12	C11	H13	180.0°	180.0°
C12	C13	N2	H5	180.0°	180.0°
C13	C12	C11	C10	177.7°	180.0°
C13	C12	C11	C14	1.1°	0.0°
C12	C13	N2	C14	0.6°	0.0°
C12	C13	N2	H1	179.4°	180.0°
C11	C12	C13	N2	0.3°	0.0°
C12	C11	C10	C14	178.8°	180.0°
C12	C11	C10	N4	178.1°	180.0°
C12	C11	C14	N2	1.4°	0.0°
C12	C11	C14	N3	179.4°	180.0°
C11	C12	C13	H5	179.7°	180.0°
C13	N2	C14	C11	1.3°	0.0°
C13	N2	C14	H1	180.0°	180.0°
C13	N2	C14	N3	179.6°	180.0°
N2	C13	C12	H13	179.7°	179.9°
C10	C11	C14	N2	177.7°	180.0°
C10	C11	C14	N3	1.4°	0.0°
C11	C10	N4	C15	1.2°	0.0°
C10	C11	C12	H13	2.3°	0.0°
C14	C11	C10	N4	0.6°	0.0°
C11	C14	N2	N3	179.1°	179.9°
C11	C14	N3	C15	2.5°	0.0°
C11	C14	N2	H1	178.7°	180.0°
C14	C11	C12	H13	178.9°	179.9°
C10	N4	C15	N3	0.2°	0.0°
C10	N4	C15	H14	179.8°	180.0°
N2	C14	N3	C15	176.4°	180.0°
C14	N2	C13	H5	179.4°	180.0°
C14	N3	C15	N4	2.0°	0.0°
N3	C14	N2	H1	0.4°	0.0°
C14	N3	C15	H14	178.0°	180.0°
N4	C15	N3	H14	180.0°	180.0°
H1	N2	C13	H5	0.6°	0.1°
H2	C7	C6	H3	1.3°	0.1°
H3	C6	C5	H12	0.0°	0.0°
H5	C13	C12	H13	0.3°	0.0°
H6	C1	H7	H8	120.0°	120.1°
H6	C1	C2	H9	59.6°	180.0°
H6	C1	C2	H10	59.6°	59.9°
H7	C1	C2	H9	60.4°	60.0°
H7	C1	C2	H10	179.6°	60.0°
H8	C1	C2	H9	179.6°	60.0°
H8	C1	C2	H10	60.4°	180.0°

Release date:	2017-02-22
Definition date:	2016-11-07
Last modified:	2017-02-17
Release status:	REL
Processing site:	RCSB
Derived from:	5TTV