4RV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	N5	doub	1.32Å	1.33Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
N5	C6	sing	1.32Å	1.32Å	Aromatic
C3	C2	doub	1.38Å	1.40Å	Aromatic
C6	C7	doub	1.39Å	1.41Å	Aromatic
C2	C7	sing	1.40Å	1.42Å	Aromatic
C2	C1	sing	1.51Å	1.52Å
C7	C8	sing	1.48Å	1.49Å
N17	N16	doub	1.28Å	1.28Å	Aromatic
N17	C18	sing	1.34Å	1.34Å	Aromatic
N16	C15	sing	1.34Å	1.34Å	Aromatic
C8	C18	doub	1.41Å	1.41Å	Aromatic
C8	C9	sing	1.39Å	1.39Å	Aromatic
C18	C12	sing	1.42Å	1.42Å	Aromatic
N20	C19	sing	1.35Å	1.35Å
C9	C10	doub	1.39Å	1.38Å	Aromatic
C15	C19	sing	1.47Å	1.47Å
C15	C13	doub	1.40Å	1.41Å	Aromatic
C19	O21	doub	1.22Å	1.22Å
C12	C13	sing	1.42Å	1.43Å	Aromatic
C12	C11	doub	1.40Å	1.40Å	Aromatic
C13	N14	sing	1.38Å	1.38Å
C10	C11	sing	1.37Å	1.37Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
N14	H10	sing	0.97Å	1.00Å
N14	H11	sing	0.97Å	1.00Å
N20	H12	sing	0.97Å	1.00Å
N20	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N5	C4	C3	120.8°	121.1°
C4	N5	C6	122.4°	121.8°
N5	C4	H1	119.6°	119.4°
C4	C3	C2	119.4°	119.3°
C3	C4	H1	119.6°	119.5°
C4	C3	H7	120.3°	120.4°
N5	C6	C7	120.6°	120.6°
N5	C6	H2	119.7°	119.7°
C3	C2	C7	118.3°	118.3°
C3	C2	C1	119.3°	120.8°
C2	C3	H7	120.3°	120.3°
C6	C7	C2	118.5°	118.9°
C6	C7	C8	120.0°	120.5°
C7	C6	H2	119.7°	119.7°
C7	C2	C1	122.4°	120.8°
C2	C7	C8	121.5°	120.6°
C2	C1	H4	109.5°	109.5°
C2	C1	H5	109.5°	109.5°
C2	C1	H6	109.4°	109.5°
C7	C8	C18	121.8°	120.3°
C7	C8	C9	119.1°	120.4°
N16	N17	C18	122.6°	122.1°
N17	N16	C15	123.2°	123.1°
N17	C18	C8	121.7°	121.5°
N17	C18	C12	119.2°	119.5°
N16	C15	C19	116.5°	119.9°
N16	C15	C13	119.7°	120.1°
C18	C8	C9	119.1°	119.3°
C8	C18	C12	119.1°	119.0°
C8	C9	C10	121.4°	120.8°
C8	C9	H8	119.3°	119.6°
C18	C12	C13	118.1°	118.1°
C18	C12	C11	119.5°	120.0°
N20	C19	C15	118.7°	120.0°
N20	C19	O21	119.8°	120.0°
C19	N20	H12	120.0°	120.0°
C19	N20	H13	120.0°	120.0°
C9	C10	C11	120.3°	121.0°
C9	C10	H3	119.8°	119.5°
C10	C9	H8	119.3°	119.6°
C19	C15	C13	123.8°	120.0°
C15	C19	O21	121.4°	120.0°
C15	C13	C12	117.2°	117.2°
C15	C13	N14	123.3°	121.4°
C13	C12	C11	122.3°	121.9°
C12	C13	N14	119.6°	121.4°
C12	C11	C10	120.5°	119.9°
C12	C11	H9	119.7°	120.0°
C13	N14	H10	109.5°	120.0°
C13	N14	H11	109.5°	120.0°
C11	C10	H3	119.8°	119.5°
C10	C11	H9	119.7°	120.1°
H4	C1	H5	109.5°	109.5°
H4	C1	H6	109.5°	109.4°
H5	C1	H6	109.5°	109.5°
H10	N14	H11	109.5°	120.0°
H12	N20	H13	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N5	C4	C3	H1	180.0°	179.7°
N5	C4	C3	C2	0.6°	0.0°
C4	N5	C6	C7	1.2°	0.0°
C4	N5	C6	H2	178.8°	180.0°
N5	C4	C3	H7	179.5°	179.9°
C3	C4	N5	C6	0.2°	0.0°
C4	C3	C2	H7	180.0°	180.0°
C4	C3	C2	C7	0.3°	0.0°
C4	C3	C2	C1	180.0°	180.0°
N5	C6	C7	H2	180.0°	179.9°
N5	C6	C7	C2	1.4°	0.0°
N5	C6	C7	C8	179.3°	180.0°
C6	N5	C4	H1	179.8°	179.7°
C3	C2	C7	C6	0.7°	0.1°
C3	C2	C7	C1	179.7°	179.9°
C3	C2	C7	C8	178.6°	180.0°
C2	C3	C4	H1	179.4°	179.7°
C3	C2	C1	H4	89.8°	90.0°
C3	C2	C1	H5	150.1°	30.1°
C3	C2	C1	H6	30.2°	150.1°
C6	C7	C2	C8	177.9°	180.0°
C6	C7	C2	C1	179.0°	180.0°
C6	C7	C8	C18	107.2°	115.0°
C6	C7	C8	C9	73.8°	65.3°
C2	C7	C8	C18	74.9°	65.0°
C2	C7	C8	C9	104.1°	114.7°
C2	C7	C6	H2	178.6°	180.0°
C7	C2	C1	H4	89.8°	89.9°
C7	C2	C1	H5	30.2°	150.0°
C7	C2	C1	H6	150.2°	30.0°
C7	C2	C3	H7	179.8°	179.9°
C1	C2	C7	C8	1.1°	0.0°
C2	C1	H4	H5	120.0°	120.0°
C2	C1	H4	H6	120.0°	120.0°
C2	C1	H5	H6	120.0°	120.0°
C1	C2	C3	H7	0.1°	0.0°
C7	C8	C18	N17	0.4°	0.0°
C7	C8	C18	C9	179.1°	179.7°
C7	C8	C18	C12	178.7°	180.0°
C7	C8	C9	C10	178.9°	180.0°
C8	C7	C6	H2	0.7°	0.0°
C7	C8	C9	H8	1.1°	0.0°
N16	N17	C18	C8	179.4°	180.0°
N16	N17	C18	C12	0.3°	0.1°
N17	N16	C15	C19	178.3°	179.7°
N17	N16	C15	C13	0.1°	0.3°
C18	N17	N16	C15	0.1°	0.3°
N17	C18	C8	C12	179.1°	179.9°
N17	C18	C8	C9	179.4°	179.7°
N17	C18	C12	C13	0.4°	0.2°
N17	C18	C12	C11	179.7°	180.0°
N16	C15	C19	N20	9.4°	5.5°
N16	C15	C19	C13	178.3°	179.9°
N16	C15	C19	O21	173.9°	174.5°
N16	C15	C13	C12	0.2°	0.0°
N16	C15	C13	N14	178.9°	180.0°
C18	C8	C9	C10	0.2°	0.3°
C8	C18	C12	C13	179.5°	179.7°
C8	C18	C12	C11	0.5°	0.1°
C18	C8	C9	H8	179.8°	179.7°
C9	C8	C18	C12	0.3°	0.3°
C8	C9	C10	H8	180.0°	180.0°
C8	C9	C10	C11	0.3°	0.0°
C8	C9	C10	H3	179.7°	179.7°
C18	C12	C13	C15	0.4°	0.2°
C18	C12	C13	C11	179.9°	179.8°
C18	C12	C13	N14	179.1°	179.8°
C18	C12	C11	C10	0.7°	0.3°
C18	C12	C11	H9	179.3°	179.7°
N20	C19	C15	O21	176.7°	180.0°
N20	C19	C15	C13	168.9°	174.4°
C19	N20	H12	H13	180.0°	180.0°
C9	C10	C11	C12	0.6°	0.3°
C9	C10	C11	H3	180.0°	179.6°
C9	C10	C11	H9	179.4°	179.7°
C19	C15	C13	C12	178.0°	180.0°
C19	C15	C13	N14	0.6°	0.1°
C15	C19	N20	H12	176.7°	0.0°
C15	C19	N20	H13	3.2°	180.0°
C13	C15	C19	O21	7.8°	5.6°
C15	C13	C12	N14	178.7°	180.0°
C15	C13	C12	C11	179.7°	180.0°
C15	C13	N14	H10	180.0°	5.4°
C15	C13	N14	H11	60.0°	174.6°
O21	C19	N20	H12	0.0°	180.0°
O21	C19	N20	H13	180.0°	0.0°
C13	C12	C11	C10	179.4°	180.0°
C13	C12	C11	H9	0.6°	0.1°
C12	C13	N14	H10	1.3°	174.6°
C12	C13	N14	H11	121.3°	5.4°
C11	C12	C13	N14	1.0°	0.0°
C12	C11	C10	H9	180.0°	180.0°
C12	C11	C10	H3	179.4°	180.0°
C13	N14	H10	H11	120.0°	180.0°
C11	C10	C9	H8	179.7°	180.0°
H1	C4	C3	H7	0.5°	0.3°
H3	C10	C9	H8	0.4°	0.3°
H3	C10	C11	H9	0.6°	0.0°
H4	C1	H5	H6	120.0°	120.0°

Release date:	2015-07-01
Definition date:	2015-05-15
Last modified:	2015-06-26
Release status:	REL
Processing site:	RCSB
Derived from:	4ZLZ