3Q0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C13	doub	1.35Å	1.38Å	Aromatic
C14	C13	sing	1.41Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C11	C12	sing	1.41Å	1.38Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C20	C11	doub	1.38Å	1.38Å	Aromatic
C20	C19	sing	1.41Å	1.37Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
C6	C5	doub	1.39Å	1.38Å	Aromatic
C4	C5	sing	1.39Å	1.38Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C19	C14	sing	1.47Å	1.38Å	Aromatic
C14	C15	doub	1.39Å	1.43Å	Aromatic
C6	C11	sing	1.48Å	1.45Å	Aromatic
N18	C19	doub	1.32Å	1.37Å	Aromatic
N7	C6	sing	1.33Å	1.34Å	Aromatic
N10	C4	doub	1.33Å	1.34Å	Aromatic
C4	N3	sing	1.39Å	1.40Å
N17	C15	sing	1.34Å	1.34Å	Aromatic
C15	N16	sing	1.39Å	1.36Å
N9	C8	sing	1.38Å	1.40Å
C8	N7	doub	1.32Å	1.34Å	Aromatic
C8	N10	sing	1.33Å	1.34Å	Aromatic
C2	C1	sing	1.53Å	1.51Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
N3	C2	sing	1.46Å	1.45Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
N18	N17	sing	1.40Å	1.35Å	Aromatic
N16	HN16	sing	0.97Å	1.00Å
N16	HN1A	sing	0.97Å	1.00Å
N9	HN9	sing	0.97Å	1.00Å
N9	HN9A	sing	0.97Å	1.00Å
N3	HN3	sing	0.97Å	1.00Å
N17	HN17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C13	C14	116.9°	119.9°
C12	C13	H13	121.5°	120.1°
C13	C12	C11	123.5°	121.6°
C13	C12	H12	118.2°	119.2°
C14	C13	H13	121.6°	120.0°
C13	C14	C19	118.7°	119.1°
C13	C14	C15	135.9°	134.6°
C11	C12	H12	118.3°	119.2°
C12	C11	C20	120.1°	121.3°
C12	C11	C6	122.4°	119.4°
C11	C20	C19	116.3°	119.4°
C11	C20	H20	121.8°	120.3°
C20	C11	C6	117.5°	119.4°
C19	C20	H20	121.9°	120.3°
C20	C19	C14	124.5°	118.7°
C20	C19	N18	130.0°	134.5°
C6	C5	C4	116.9°	118.3°
C6	C5	H5	121.6°	120.8°
C5	C6	C11	124.5°	120.4°
C5	C6	N7	122.1°	119.1°
C4	C5	H5	121.6°	120.8°
C5	C4	N10	121.7°	119.2°
C5	C4	N3	119.9°	120.4°
C19	C14	C15	105.3°	106.3°
C14	C19	N18	105.5°	106.9°
C14	C15	N17	111.0°	107.7°
C14	C15	N16	123.3°	126.2°
C11	C6	N7	113.4°	120.5°
C19	N18	N17	113.8°	109.2°
C6	N7	C8	117.5°	120.8°
N10	C4	N3	118.4°	120.4°
C4	N10	C8	117.5°	120.8°
C4	N3	C2	109.8°	120.0°
C4	N3	HN3	109.3°	120.0°
N17	C15	N16	125.7°	126.1°
C15	N17	N18	104.4°	109.9°
C15	N17	HN17	127.8°	125.0°
C15	N16	HN16	109.5°	120.0°
C15	N16	HN1A	109.5°	120.1°
N9	C8	N7	116.9°	119.2°
N9	C8	N10	118.7°	119.1°
C8	N9	HN9	109.5°	120.0°
C8	N9	HN9A	109.4°	120.0°
N7	C8	N10	124.3°	121.7°
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.4°	109.4°
C2	C1	H1B	109.5°	109.4°
C1	C2	N3	109.6°	109.5°
C1	C2	H2	109.4°	109.5°
C1	C2	H2A	109.4°	109.4°
H1	C1	H1A	109.5°	109.5°
H1	C1	H1B	109.5°	109.5°
H1A	C1	H1B	109.5°	109.5°
N3	C2	H2	109.4°	109.5°
N3	C2	H2A	109.4°	109.4°
C2	N3	HN3	109.4°	120.0°
H2	C2	H2A	109.5°	109.5°
N18	N17	HN17	127.8°	125.0°
HN16	N16	HN1A	109.5°	120.0°
HN9	N9	HN9A	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C13	C14	H13	180.0°	179.7°
C13	C12	C11	H12	180.0°	179.9°
C13	C12	C11	C20	1.2°	0.1°
C12	C13	C14	C19	0.1°	0.3°
C12	C13	C14	C15	179.9°	179.7°
C13	C12	C11	C6	178.2°	179.7°
C14	C13	C12	C11	0.9°	0.3°
C14	C13	C12	H12	179.1°	179.8°
C13	C14	C19	C20	0.8°	0.0°
C13	C14	C19	C15	179.8°	180.0°
C13	C14	C19	N18	179.9°	179.8°
C13	C14	C15	N17	180.0°	180.0°
C13	C14	C15	N16	0.0°	0.0°
H13	C13	C12	C11	179.1°	180.0°
H13	C13	C12	H12	0.9°	0.0°
H13	C13	C14	C19	179.9°	180.0°
H13	C13	C14	C15	0.1°	0.1°
C12	C11	C20	C6	179.5°	179.8°
C12	C11	C20	C19	0.5°	0.2°
C12	C11	C20	H20	179.5°	180.0°
C12	C11	C6	C5	14.4°	0.2°
C12	C11	C6	N7	167.2°	179.7°
H12	C12	C11	C20	178.8°	180.0°
H12	C12	C11	C6	1.8°	0.2°
C11	C20	C19	H20	180.0°	179.7°
C20	C11	C6	C5	166.1°	180.0°
C11	C20	C19	C14	0.5°	0.3°
C11	C20	C19	N18	179.6°	180.0°
C20	C11	C6	N7	12.2°	0.1°
C20	C19	C14	N18	179.3°	179.8°
C20	C19	C14	C15	179.4°	180.0°
C19	C20	C11	C6	179.0°	180.0°
C20	C19	N18	N17	179.2°	179.9°
H20	C20	C19	C14	179.5°	180.0°
H20	C20	C11	C6	1.1°	0.3°
H20	C20	C19	N18	0.4°	0.3°
C6	C5	C4	H5	180.0°	179.8°
C5	C6	C11	N7	178.4°	179.9°
C6	C5	C4	N10	0.3°	0.2°
C6	C5	C4	N3	180.0°	179.7°
C5	C6	N7	C8	0.5°	0.1°
C4	C5	C6	C11	178.2°	179.7°
C4	C5	C6	N7	0.0°	0.2°
C5	C4	N10	N3	179.7°	179.9°
C5	C4	N10	C8	0.1°	0.1°
C5	C4	N3	C2	3.5°	0.0°
C5	C4	N3	HN3	123.6°	180.0°
H5	C5	C6	C11	1.8°	0.0°
H5	C5	C6	N7	179.9°	180.0°
H5	C5	C4	N10	179.7°	180.0°
H5	C5	C4	N3	0.0°	0.0°
C19	C14	C15	N17	0.2°	0.0°
C19	C14	C15	N16	179.7°	179.9°
C14	C19	N18	N17	0.1°	0.4°
C15	C14	C19	N18	0.1°	0.2°
C14	C15	N17	N16	180.0°	180.0°
C14	C15	N17	N18	0.3°	0.2°
C14	C15	N16	HN16	180.0°	0.0°
C14	C15	N16	HN1A	60.0°	179.9°
C14	C15	N17	HN17	179.7°	180.0°
C11	C6	N7	C8	177.9°	180.0°
C19	N18	N17	C15	0.2°	0.4°
C19	N18	N17	HN17	179.8°	179.8°
C6	N7	C8	N9	180.0°	180.0°
C6	N7	C8	N10	0.7°	0.4°
C4	N10	C8	N9	179.7°	180.0°
C4	N10	C8	N7	0.4°	0.4°
N10	C4	N3	C2	176.7°	180.0°
N10	C4	N3	HN3	56.7°	0.1°
N3	C4	N10	C8	179.9°	180.0°
C4	N3	C2	C1	95.2°	180.0°
C4	N3	C2	HN3	120.0°	179.9°
C4	N3	C2	H2	144.8°	60.0°
C4	N3	C2	H2A	24.8°	60.1°
C15	N17	N18	HN17	180.0°	179.8°
N17	C15	N16	HN16	0.0°	180.0°
N17	C15	N16	HN1A	120.0°	0.1°
N16	C15	N17	N18	179.7°	179.8°
C15	N16	HN16	HN1A	120.0°	179.9°
N16	C15	N17	HN17	0.3°	0.1°
N9	C8	N7	N10	179.3°	179.7°
C8	N9	HN9	HN9A	120.0°	179.9°
N7	C8	N9	HN9	0.0°	0.1°
N7	C8	N9	HN9A	120.0°	180.0°
N10	C8	N9	HN9	179.4°	179.8°
N10	C8	N9	HN9A	60.6°	0.3°
C2	C1	H1	H1A	120.0°	120.0°
C2	C1	H1	H1B	120.0°	120.0°
C2	C1	H1A	H1B	120.0°	119.9°
C1	C2	N3	H2	120.0°	120.1°
C1	C2	N3	H2A	120.0°	119.9°
C1	C2	H2	H2A	120.0°	120.0°
C1	C2	N3	HN3	144.8°	0.1°
H1	C1	H1A	H1B	120.0°	120.1°
H1	C1	C2	N3	180.0°	60.0°
H1	C1	C2	H2	60.0°	179.9°
H1	C1	C2	H2A	60.0°	60.0°
H1A	C1	C2	N3	60.0°	180.0°
H1A	C1	C2	H2	60.0°	59.9°
H1A	C1	C2	H2A	180.0°	60.1°
H1B	C1	C2	N3	60.0°	60.1°
H1B	C1	C2	H2	180.0°	60.0°
H1B	C1	C2	H2A	60.0°	180.0°
N3	C2	H2	H2A	120.0°	120.0°
H2	C2	N3	HN3	24.8°	120.0°
H2A	C2	N3	HN3	95.2°	120.0°

Definition date:	2011-01-18
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3QCQ