AVM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C4	doub	1.21Å	1.23Å
C4	N	sing	1.35Å	1.35Å
C4	C5	sing	1.51Å	1.50Å
N	C3	sing	1.40Å	1.41Å
C3	C2	doub	1.39Å	1.39Å	Aromatic
C3	C6	sing	1.39Å	1.38Å	Aromatic
C2	C1	sing	1.38Å	1.38Å	Aromatic
C6	C7	doub	1.39Å	1.39Å	Aromatic
C1	C	doub	1.38Å	1.38Å	Aromatic
C7	C	sing	1.39Å	1.39Å	Aromatic
C7	C8	sing	1.48Å	1.48Å
C18	C17	doub	1.36Å	1.36Å	Aromatic
C18	C19	sing	1.41Å	1.41Å	Aromatic
C17	C15	sing	1.40Å	1.40Å	Aromatic
C8	C10	doub	1.39Å	1.39Å	Aromatic
C8	C9	sing	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C9	C13	doub	1.39Å	1.39Å	Aromatic
C11	C15	sing	1.48Å	1.48Å
C11	C12	doub	1.39Å	1.39Å	Aromatic
C15	C16	doub	1.38Å	1.38Å	Aromatic
C19	C21	doub	1.41Å	1.41Å	Aromatic
C19	C20	sing	1.42Å	1.41Å	Aromatic
O2	C14	doub	1.21Å	1.25Å
C21	C22	sing	1.37Å	1.36Å	Aromatic
C13	C12	sing	1.40Å	1.39Å	Aromatic
C13	C14	sing	1.48Å	1.51Å
C14	O1	sing	1.35Å	1.25Å
C16	C20	sing	1.40Å	1.41Å	Aromatic
C20	N1	doub	1.34Å	1.37Å	Aromatic
C22	C23	doub	1.39Å	1.39Å	Aromatic
C23	N1	sing	1.31Å	1.32Å	Aromatic
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C12	H10	sing	1.08Å	1.08Å
C17	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
C21	H14	sing	1.08Å	1.08Å
C22	H15	sing	1.08Å	1.08Å
C23	H16	sing	1.08Å	1.08Å
O1	H17	sing	0.97Å	0.95Å
N	H3	sing	0.97Å	1.00Å
C	H	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C4	N	123.1°	120.0°
O	C4	C5	122.2°	120.0°
N	C4	C5	114.5°	120.0°
C4	N	C3	127.3°	120.0°
C4	N	H3	116.3°	120.0°
C4	C5	H4	109.5°	109.5°
C4	C5	H5	109.4°	109.5°
C4	C5	H6	109.5°	109.5°
N	C3	C2	120.4°	120.0°
N	C3	C6	118.8°	120.0°
C3	N	H3	116.3°	120.0°
C2	C3	C6	119.7°	120.0°
C3	C2	C1	119.6°	120.2°
C3	C2	H2	120.2°	119.9°
C3	C6	C7	121.0°	119.8°
C3	C6	H7	119.4°	120.1°
C2	C1	C	120.5°	120.2°
C2	C1	H1	119.8°	119.8°
C1	C2	H2	120.2°	119.9°
C6	C7	C	118.4°	119.8°
C6	C7	C8	119.7°	120.1°
C7	C6	H7	119.5°	120.1°
C1	C	C7	120.5°	120.0°
C1	C	H	119.7°	120.0°
C	C1	H1	119.8°	119.9°
C	C7	C8	121.8°	120.1°
C7	C	H	119.7°	120.0°
C7	C8	C10	119.6°	120.0°
C7	C8	C9	121.8°	120.0°
C17	C18	C19	121.0°	120.0°
C18	C17	C15	121.7°	120.7°
C18	C17	H12	119.1°	119.7°
C17	C18	H13	119.5°	120.0°
C18	C19	C21	124.4°	121.1°
C18	C19	C20	118.0°	119.9°
C19	C18	H13	119.5°	120.1°
C17	C15	C11	120.7°	119.6°
C17	C15	C16	118.4°	120.7°
C15	C17	H12	119.2°	119.6°
C10	C8	C9	118.5°	120.0°
C8	C10	C11	121.9°	120.1°
C8	C10	H9	119.1°	120.0°
C8	C9	C13	120.7°	120.0°
C8	C9	H8	119.6°	120.0°
C10	C11	C15	119.7°	120.0°
C10	C11	C12	118.3°	120.0°
C11	C10	H9	119.0°	120.0°
C9	C13	C12	119.6°	119.9°
C9	C13	C14	120.0°	120.1°
C13	C9	H8	119.6°	120.0°
C15	C11	C12	121.9°	120.0°
C11	C15	C16	120.9°	119.7°
C11	C12	C13	120.9°	119.9°
C11	C12	H10	119.6°	120.0°
C15	C16	C20	121.3°	119.6°
C15	C16	H11	119.4°	120.2°
C21	C19	C20	117.6°	119.0°
C19	C21	C22	119.8°	118.2°
C19	C21	H14	120.1°	120.9°
C19	C20	C16	119.6°	119.2°
C19	C20	N1	121.9°	119.8°
O2	C14	C13	117.8°	120.0°
O2	C14	O1	124.6°	120.0°
C21	C22	C23	118.8°	120.0°
C22	C21	H14	120.1°	120.9°
C21	C22	H15	120.6°	120.0°
C12	C13	C14	120.2°	120.0°
C13	C12	H10	119.6°	120.0°
C13	C14	O1	117.6°	120.0°
C14	O1	H17	109.5°	117.0°
C16	C20	N1	118.5°	121.0°
C20	C16	H11	119.4°	120.2°
C20	N1	C23	117.4°	121.4°
C22	C23	N1	124.4°	121.7°
C23	C22	H15	120.6°	120.0°
C22	C23	H16	117.8°	119.2°
N1	C23	H16	117.8°	119.2°
H4	C5	H5	109.5°	109.4°
H4	C5	H6	109.5°	109.5°
H5	C5	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C4	N	C5	174.8°	180.0°
O	C4	N	C3	51.7°	4.6°
O	C4	C5	H4	0.0°	119.9°
O	C4	C5	H5	120.0°	0.0°
O	C4	C5	H6	120.0°	120.0°
O	C4	N	H3	128.3°	175.4°
C4	N	C3	H3	180.0°	180.0°
C4	N	C3	C2	3.8°	35.1°
C4	N	C3	C6	172.0°	144.6°
N	C4	C5	H4	174.9°	60.0°
N	C4	C5	H5	65.1°	180.0°
N	C4	C5	H6	54.9°	60.0°
C5	C4	N	C3	123.1°	175.4°
C4	C5	H4	H5	120.0°	120.0°
C4	C5	H4	H6	120.0°	120.0°
C4	C5	H5	H6	120.0°	120.0°
C5	C4	N	H3	56.9°	4.6°
N	C3	C2	C6	168.1°	179.7°
N	C3	C2	C1	163.4°	179.7°
N	C3	C6	C7	163.4°	179.7°
N	C3	C2	H2	16.7°	0.3°
N	C3	C6	H7	16.6°	0.4°
C3	C2	C1	H2	180.0°	180.0°
C2	C3	C6	C7	4.9°	0.1°
C3	C2	C1	C	1.7°	0.0°
C2	C3	N	H3	176.2°	144.9°
C3	C2	C1	H1	178.3°	180.0°
C2	C3	C6	H7	175.1°	180.0°
C6	C3	C2	C1	4.7°	0.0°
C3	C6	C7	H7	180.0°	179.9°
C3	C6	C7	C	2.0°	0.1°
C3	C6	C7	C8	177.6°	179.9°
C6	C3	N	H3	8.0°	35.4°
C6	C3	C2	H2	175.3°	180.0°
C2	C1	C	H1	180.0°	179.9°
C2	C1	C	C7	1.2°	0.1°
C2	C1	C	H	178.8°	180.0°
C6	C7	C	C1	1.0°	0.0°
C6	C7	C	C8	179.7°	180.0°
C6	C7	C8	C10	17.2°	179.9°
C6	C7	C8	C9	160.0°	0.2°
C6	C7	C	H	179.0°	180.0°
C1	C	C7	H	180.0°	180.0°
C1	C	C7	C8	179.3°	180.0°
C	C1	C2	H2	178.3°	179.9°
C	C7	C8	C10	162.4°	0.0°
C	C7	C8	C9	20.3°	179.8°
C7	C	C1	H1	178.8°	180.0°
C	C7	C6	H7	178.0°	180.0°
C7	C8	C10	C9	177.3°	179.7°
C7	C8	C10	C11	177.0°	180.0°
C7	C8	C9	C13	177.1°	180.0°
C8	C7	C	H	0.7°	0.0°
C7	C8	C10	H9	3.0°	0.1°
C8	C7	C6	H7	2.3°	0.0°
C7	C8	C9	H8	3.0°	0.3°
C17	C18	C19	H13	180.0°	179.9°
C18	C17	C15	H12	180.0°	179.9°
C18	C17	C15	C11	179.4°	179.7°
C18	C17	C15	C16	0.1°	0.1°
C17	C18	C19	C21	179.6°	180.0°
C17	C18	C19	C20	0.1°	0.0°
C19	C18	C17	C15	0.0°	0.0°
C18	C19	C21	C20	179.5°	180.0°
C18	C19	C21	C22	179.4°	180.0°
C18	C19	C20	C16	0.3°	0.0°
C18	C19	C20	N1	179.3°	180.0°
C19	C18	C17	H12	179.9°	179.9°
C18	C19	C21	H14	0.6°	0.0°
C17	C15	C11	C10	15.6°	0.3°
C17	C15	C11	C16	179.3°	179.8°
C17	C15	C11	C12	160.3°	179.7°
C17	C15	C16	C20	0.1°	0.1°
C15	C17	C18	H13	180.0°	179.9°
C17	C15	C16	H11	179.9°	180.0°
C8	C10	C11	H9	180.0°	179.9°
C10	C8	C9	C13	0.2°	0.3°
C8	C10	C11	C15	175.2°	179.9°
C8	C10	C11	C12	0.9°	0.0°
C10	C8	C9	H8	179.8°	180.0°
C9	C8	C10	C11	0.3°	0.3°
C8	C9	C13	H8	180.0°	179.6°
C8	C9	C13	C12	0.7°	0.1°
C8	C9	C13	C14	175.4°	180.0°
C9	C8	C10	H9	179.7°	179.8°
C10	C11	C15	C12	175.9°	179.9°
C10	C11	C15	C16	165.1°	180.0°
C10	C11	C12	C13	1.4°	0.2°
C10	C11	C12	H10	178.6°	179.9°
C9	C13	C12	C11	1.3°	0.2°
C9	C13	C14	O2	1.3°	0.1°
C9	C13	C12	C14	176.1°	180.0°
C9	C13	C14	O1	178.5°	179.9°
C9	C13	C12	H10	178.7°	179.9°
C15	C11	C12	C13	174.6°	179.8°
C11	C15	C16	C20	179.2°	179.7°
C15	C11	C12	H10	5.4°	0.1°
C11	C15	C17	H12	0.6°	0.2°
C15	C11	C10	H9	4.8°	0.0°
C11	C15	C16	H11	0.8°	0.2°
C12	C11	C15	C16	19.0°	0.1°
C11	C12	C13	H10	180.0°	179.7°
C11	C12	C13	C14	174.8°	179.7°
C12	C11	C10	H9	179.1°	179.9°
C15	C16	C20	C19	0.3°	0.0°
C15	C16	C20	H11	180.0°	180.0°
C15	C16	C20	N1	179.3°	180.0°
C16	C15	C17	H12	179.9°	180.0°
C19	C21	C22	H14	180.0°	179.9°
C21	C19	C20	C16	179.8°	180.0°
C21	C19	C20	N1	0.2°	0.0°
C19	C21	C22	C23	0.1°	0.1°
C21	C19	C18	H13	0.4°	0.1°
C19	C21	C22	H15	179.9°	180.0°
C20	C19	C21	C22	0.1°	0.1°
C19	C20	C16	N1	179.6°	180.0°
C19	C20	N1	C23	0.2°	0.0°
C20	C19	C18	H13	179.8°	180.0°
C20	C19	C21	H14	179.9°	180.0°
C19	C20	C16	H11	179.7°	180.0°
O2	C14	C13	C12	174.7°	180.0°
O2	C14	C13	O1	179.8°	180.0°
O2	C14	O1	H17	0.0°	0.0°
C21	C22	C23	H15	180.0°	180.0°
C21	C22	C23	N1	0.1°	0.0°
C21	C22	C23	H16	179.9°	180.0°
C12	C13	C14	O1	5.5°	0.0°
C12	C13	C9	H8	179.3°	179.7°
C14	C13	C12	H10	5.2°	0.0°
C13	C14	O1	H17	179.8°	180.0°
C14	C13	C9	H8	4.6°	0.4°
C16	C20	N1	C23	179.8°	180.0°
C20	N1	C23	C22	0.0°	0.0°
C20	N1	C23	H16	179.9°	180.0°
N1	C20	C16	H11	0.7°	0.0°
C22	C23	N1	H16	180.0°	180.0°
C23	C22	C21	H14	179.9°	180.0°
N1	C23	C22	H15	179.9°	180.0°
H4	C5	H5	H6	120.0°	120.0°
H12	C17	C18	H13	0.0°	0.0°
H14	C21	C22	H15	0.0°	0.0°
H15	C22	C23	H16	0.1°	0.0°
H	C	C1	H1	1.2°	0.1°
H1	C1	C2	H2	1.7°	0.0°

Release date:	2018-01-10
Definition date:	2017-07-27
Last modified:	2018-01-05
Release status:	REL
Processing site:	RCSB
Derived from:	5QB3