1QO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	N2	doub	1.32Å	1.34Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
N2	C2	sing	1.33Å	1.34Å	Aromatic
C4	C5	doub	1.40Å	1.39Å	Aromatic
C2	N1	sing	1.38Å	1.35Å
C2	N3	doub	1.32Å	1.35Å	Aromatic
N1	C1	sing	1.46Å	1.46Å
C5	N3	sing	1.33Å	1.34Å	Aromatic
C5	C6	sing	1.48Å	1.49Å
C16	C15	doub	1.38Å	1.38Å	Aromatic
C16	C11	sing	1.38Å	1.39Å	Aromatic
C1	C11	sing	1.51Å	1.51Å
C15	C14	sing	1.38Å	1.38Å	Aromatic
C7	C6	doub	1.40Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.38Å	Aromatic
C6	C10	sing	1.39Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C8	C9	doub	1.38Å	1.38Å	Aromatic
C10	N4	doub	1.32Å	1.34Å	Aromatic
C14	C13	doub	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C9	N4	sing	1.32Å	1.34Å	Aromatic
N1	H3	sing	0.97Å	1.00Å
C4	H5	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C13	H11	sing	1.08Å	1.08Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å
C15	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C3	C4	123.7°	119.3°
C3	N2	C2	115.5°	120.9°
N2	C3	H4	118.2°	120.4°
C3	C4	C5	116.7°	118.4°
C3	C4	H5	121.6°	120.8°
C4	C3	H4	118.1°	120.3°
N2	C2	N1	117.7°	119.1°
N2	C2	N3	125.2°	121.7°
C4	C5	N3	120.9°	119.0°
C4	C5	C6	122.9°	120.5°
C5	C4	H5	121.6°	120.8°
N1	C2	N3	117.1°	119.2°
C2	N1	C1	124.3°	120.0°
C2	N1	H3	105.7°	120.0°
C2	N3	C5	117.9°	120.6°
N1	C1	C11	114.3°	109.5°
C1	N1	H3	105.6°	120.0°
N1	C1	H2	108.3°	109.5°
N1	C1	H1	108.2°	109.5°
N3	C5	C6	116.0°	120.5°
C5	C6	C7	122.1°	120.6°
C5	C6	C10	121.1°	120.5°
C15	C16	C11	120.9°	120.0°
C16	C15	C14	120.1°	120.1°
C16	C15	H13	120.0°	120.0°
C15	C16	H14	119.6°	120.0°
C16	C11	C1	120.7°	120.0°
C16	C11	C12	118.3°	120.0°
C11	C16	H14	119.6°	120.0°
C1	C11	C12	121.0°	120.0°
C11	C1	H2	108.2°	109.5°
C11	C1	H1	108.3°	109.5°
C15	C14	C13	119.8°	120.0°
C15	C14	H12	120.1°	120.0°
C14	C15	H13	120.0°	119.9°
C6	C7	C8	120.0°	118.3°
C7	C6	C10	116.6°	118.9°
C6	C7	H6	120.0°	120.9°
C7	C8	C9	118.5°	119.3°
C8	C7	H6	120.0°	120.8°
C7	C8	H7	120.8°	120.3°
C6	C10	N4	124.2°	120.6°
C6	C10	H9	117.9°	119.7°
C11	C12	C13	120.7°	120.0°
C11	C12	H10	119.6°	120.0°
C8	C9	N4	123.3°	121.0°
C9	C8	H7	120.7°	120.4°
C8	C9	H8	118.3°	119.4°
C10	N4	C9	117.4°	121.9°
N4	C10	H9	117.9°	119.7°
C14	C13	C12	120.2°	120.0°
C14	C13	H11	119.9°	120.0°
C13	C14	H12	120.1°	120.0°
C13	C12	H10	119.6°	120.0°
C12	C13	H11	119.9°	120.0°
N4	C9	H8	118.3°	119.5°
H2	C1	H1	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C3	C4	H4	180.0°	180.0°
N2	C3	C4	C5	0.1°	0.3°
C3	N2	C2	N1	179.7°	180.0°
C3	N2	C2	N3	0.6°	0.2°
N2	C3	C4	H5	179.9°	180.0°
C4	C3	N2	C2	0.3°	0.1°
C3	C4	C5	H5	180.0°	179.7°
C3	C4	C5	N3	0.3°	0.2°
C3	C4	C5	C6	175.7°	179.7°
N2	C2	N1	N3	179.2°	179.8°
N2	C2	N1	C1	178.7°	0.2°
N2	C2	N3	C5	0.4°	0.2°
N2	C2	N1	H3	56.7°	179.4°
C2	N2	C3	H4	179.7°	180.0°
C4	C5	N3	C2	0.0°	0.0°
C4	C5	N3	C6	175.7°	180.0°
C4	C5	C6	C7	8.4°	174.9°
C4	C5	C6	C10	168.6°	5.0°
C5	C4	C3	H4	179.9°	179.8°
C2	N1	C1	H3	122.0°	179.6°
N1	C2	N3	C5	179.6°	179.9°
C2	N1	C1	C11	59.4°	179.7°
C2	N1	C1	H2	61.3°	60.3°
C2	N1	C1	H1	179.9°	59.7°
N3	C2	N1	C1	2.1°	180.0°
C2	N3	C5	C6	175.8°	180.0°
N3	C2	N1	H3	124.1°	0.4°
N1	C1	C11	C16	35.7°	89.8°
N1	C1	C11	H2	120.7°	120.0°
N1	C1	C11	H1	120.7°	120.0°
N1	C1	C11	C12	144.5°	90.0°
N1	C1	H2	H1	117.8°	120.0°
N3	C5	C6	C7	167.2°	5.0°
N3	C5	C6	C10	15.8°	175.0°
N3	C5	C4	H5	179.7°	180.0°
C5	C6	C7	C10	177.1°	180.0°
C5	C6	C7	C8	178.1°	180.0°
C5	C6	C10	N4	177.6°	180.0°
C6	C5	C4	H5	4.3°	0.0°
C5	C6	C7	H6	2.0°	0.0°
C5	C6	C10	H9	2.3°	0.0°
C15	C16	C11	H14	180.0°	179.4°
C15	C16	C11	C1	179.1°	179.7°
C16	C15	C14	H13	180.0°	179.7°
C15	C16	C11	C12	0.6°	0.5°
C16	C15	C14	C13	1.7°	0.3°
C16	C15	C14	H12	178.3°	179.7°
C16	C11	C1	C12	179.8°	179.8°
C11	C16	C15	C14	0.6°	0.6°
C16	C11	C12	C13	0.8°	0.2°
C16	C11	C12	H10	179.2°	179.7°
C16	C11	C1	H2	156.4°	150.3°
C16	C11	C1	H1	85.0°	30.3°
C11	C16	C15	H13	179.4°	179.8°
C1	C11	C12	C13	179.0°	180.0°
C11	C1	N1	H3	178.6°	0.1°
C1	C11	C12	H10	1.0°	0.1°
C11	C1	H2	H1	117.8°	120.0°
C1	C11	C16	H14	0.9°	0.3°
C15	C14	C13	H12	180.0°	180.0°
C15	C14	C13	C12	1.5°	0.0°
C15	C14	C13	H11	178.5°	180.0°
C14	C15	C16	H14	179.4°	180.0°
C6	C7	C8	H6	180.0°	180.0°
C6	C7	C8	C9	0.6°	0.0°
C7	C6	C10	N4	0.5°	0.0°
C6	C7	C8	H7	179.4°	180.0°
C7	C6	C10	H9	179.5°	180.0°
C8	C7	C6	C10	0.9°	0.0°
C7	C8	C9	H7	180.0°	180.0°
C7	C8	C9	N4	0.3°	0.1°
C7	C8	C9	H8	179.7°	180.0°
C6	C10	N4	H9	180.0°	180.0°
C6	C10	N4	C9	0.3°	0.1°
C10	C6	C7	H6	179.1°	180.0°
C11	C12	C13	C14	0.3°	0.1°
C11	C12	C13	H10	180.0°	179.9°
C11	C12	C13	H11	179.7°	180.0°
C12	C11	C1	H2	23.8°	30.0°
C12	C11	C1	H1	94.8°	150.0°
C12	C11	C16	H14	179.3°	179.9°
C8	C9	N4	C10	0.7°	0.1°
C8	C9	N4	H8	180.0°	179.9°
C9	C8	C7	H6	179.4°	180.0°
C10	N4	C9	H8	179.3°	180.0°
C14	C13	C12	H11	180.0°	180.0°
C14	C13	C12	H10	179.7°	180.0°
C13	C14	C15	H13	178.3°	179.9°
C12	C13	C14	H12	178.5°	180.0°
N4	C9	C8	H7	179.8°	180.0°
C9	N4	C10	H9	179.7°	179.9°
H3	N1	C1	H2	60.7°	120.1°
H3	N1	C1	H1	57.9°	119.9°
H5	C4	C3	H4	0.1°	0.0°
H10	C12	C13	H11	0.3°	0.1°
H11	C13	C14	H12	1.5°	0.0°
H6	C7	C8	H7	0.6°	0.0°
H7	C8	C9	H8	0.3°	0.0°
H12	C14	C15	H13	1.7°	0.1°
H13	C15	C16	H14	0.6°	0.4°

Release date:	2013-09-18
Definition date:	2013-04-27
Last modified:	2013-09-13
Release status:	REL
Processing site:	RCSB
Derived from:	4KB8