CVF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.53Å	1.53Å
C2	N	sing	1.47Å	1.46Å
C3	C4	sing	1.51Å	1.51Å
C4	C7	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
N	C1	sing	1.35Å	1.33Å
C7	C8	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
O2	C1	doub	1.21Å	1.23Å
C8	C9	doub	1.39Å	1.39Å	Aromatic
C1	C	sing	1.51Å	1.50Å
C6	C9	sing	1.39Å	1.39Å	Aromatic
O1	C15	doub	1.21Å	1.25Å
C9	C10	sing	1.48Å	1.48Å
C16	C10	doub	1.39Å	1.39Å	Aromatic
C16	C14	sing	1.40Å	1.39Å	Aromatic
C10	C11	sing	1.39Å	1.40Å	Aromatic
C15	C14	sing	1.48Å	1.51Å
C15	O	sing	1.35Å	1.25Å
C14	C13	doub	1.40Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.38Å	1.38Å	Aromatic
N	H3	sing	0.97Å	1.00Å
C	H2	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
O	H16	sing	0.97Å	0.95Å
C11	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C5	H8	sing	1.08Å	1.08Å
C6	H9	sing	1.08Å	1.08Å
C7	H10	sing	1.08Å	1.08Å
C8	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	N	112.6°	109.5°
C2	C3	C4	114.9°	109.5°
C3	C2	H4	108.7°	109.5°
C3	C2	H5	108.7°	109.5°
C2	C3	H7	108.1°	109.5°
C2	C3	H6	108.1°	109.4°
C2	N	C1	123.1°	120.0°
C2	N	H3	118.4°	120.0°
N	C2	H4	108.7°	109.5°
N	C2	H5	108.7°	109.5°
C3	C4	C7	121.0°	119.9°
C3	C4	C5	120.9°	119.9°
C4	C3	H7	108.1°	109.5°
C4	C3	H6	108.1°	109.5°
C7	C4	C5	118.1°	120.2°
C4	C7	C8	121.1°	120.2°
C4	C7	H10	119.5°	119.9°
C4	C5	C6	121.0°	120.1°
C4	C5	H8	119.5°	119.9°
N	C1	O2	121.7°	120.0°
N	C1	C	116.3°	120.0°
C1	N	H3	118.4°	120.0°
C7	C8	C9	121.2°	119.9°
C8	C7	H10	119.5°	119.9°
C7	C8	H11	119.4°	120.1°
C5	C6	C9	121.1°	119.9°
C6	C5	H8	119.5°	119.9°
C5	C6	H9	119.4°	120.1°
O2	C1	C	122.0°	120.0°
C8	C9	C6	117.5°	119.8°
C8	C9	C10	121.0°	120.1°
C9	C8	H11	119.4°	120.0°
C1	C	H2	109.5°	109.5°
C1	C	H1	109.5°	109.5°
C1	C	H	109.5°	109.5°
C6	C9	C10	121.3°	120.1°
C9	C6	H9	119.5°	120.0°
O1	C15	C14	117.3°	120.0°
O1	C15	O	124.9°	120.0°
C9	C10	C16	120.8°	120.0°
C9	C10	C11	120.8°	120.0°
C10	C16	C14	121.0°	119.7°
C16	C10	C11	118.3°	120.0°
C10	C16	H15	119.5°	120.2°
C16	C14	C15	120.0°	120.1°
C16	C14	C13	119.5°	119.8°
C14	C16	H15	119.5°	120.1°
C10	C11	C12	120.9°	120.2°
C10	C11	H12	119.6°	119.9°
C14	C15	O	117.8°	120.0°
C15	C14	C13	120.5°	120.1°
C15	O	H16	109.5°	117.0°
C14	C13	C12	120.2°	120.1°
C14	C13	H14	119.9°	119.9°
C11	C12	C13	120.2°	120.3°
C12	C11	H12	119.6°	119.9°
C11	C12	H13	119.9°	119.9°
C13	C12	H13	119.9°	119.8°
C12	C13	H14	119.9°	120.0°
H2	C	H1	109.5°	109.5°
H2	C	H	109.5°	109.5°
H1	C	H	109.5°	109.5°
H4	C2	H5	109.5°	109.4°
H7	C3	H6	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	N	H4	120.5°	120.0°
C3	C2	N	H5	120.5°	120.0°
C2	C3	C4	H7	120.8°	120.0°
C2	C3	C4	H6	120.8°	120.0°
C2	C3	C4	C7	11.2°	90.0°
C2	C3	C4	C5	168.6°	89.7°
C3	C2	N	C1	113.4°	180.0°
C3	C2	N	H3	66.7°	0.3°
C3	C2	H4	H5	118.6°	120.0°
C2	C3	H7	H6	117.5°	120.0°
N	C2	C3	C4	80.0°	180.0°
C2	N	C1	H3	180.0°	179.7°
C2	N	C1	O2	8.1°	0.3°
C2	N	C1	C	170.9°	179.8°
N	C2	H4	H5	118.6°	120.0°
N	C2	C3	H7	40.8°	60.0°
N	C2	C3	H6	159.2°	60.0°
C3	C4	C7	C5	179.9°	179.7°
C3	C4	C7	C8	179.0°	180.0°
C3	C4	C5	C6	179.1°	180.0°
C4	C3	C2	H4	40.5°	60.0°
C4	C3	C2	H5	159.6°	60.0°
C4	C3	H7	H6	117.5°	120.0°
C3	C4	C5	H8	0.9°	0.0°
C3	C4	C7	H10	1.0°	0.0°
C4	C7	C8	H10	180.0°	179.9°
C7	C4	C5	C6	0.8°	0.3°
C4	C7	C8	C9	0.5°	0.0°
C7	C4	C3	H7	132.0°	30.0°
C7	C4	C3	H6	109.6°	150.0°
C7	C4	C5	H8	179.2°	179.8°
C4	C7	C8	H11	179.5°	180.0°
C5	C4	C7	C8	0.9°	0.2°
C4	C5	C6	H8	180.0°	180.0°
C4	C5	C6	C9	0.7°	0.0°
C5	C4	C3	H7	47.8°	150.3°
C5	C4	C3	H6	70.5°	30.3°
C4	C5	C6	H9	179.3°	180.0°
C5	C4	C7	H10	179.1°	179.7°
N	C1	O2	C	178.9°	179.9°
N	C1	C	H2	178.9°	0.0°
N	C1	C	H1	59.0°	120.0°
N	C1	C	H	61.1°	120.0°
C1	N	C2	H4	7.1°	60.0°
C1	N	C2	H5	126.2°	60.0°
C7	C8	C9	H11	180.0°	180.0°
C7	C8	C9	C6	2.0°	0.3°
C7	C8	C9	C10	173.4°	180.0°
C5	C6	C9	C8	2.1°	0.3°
C5	C6	C9	H9	180.0°	180.0°
C5	C6	C9	C10	173.3°	180.0°
O2	C1	N	H3	172.0°	180.0°
O2	C1	C	H2	0.0°	179.9°
O2	C1	C	H1	120.0°	60.1°
O2	C1	C	H	120.0°	59.9°
C8	C9	C6	C10	175.4°	179.8°
C8	C9	C10	C16	121.2°	0.0°
C8	C9	C10	C11	59.4°	179.7°
C8	C9	C6	H9	178.0°	179.7°
C9	C8	C7	H10	179.5°	180.0°
C	C1	N	H3	9.1°	0.0°
C1	C	H2	H1	120.0°	120.0°
C1	C	H2	H	120.0°	120.0°
C1	C	H1	H	120.0°	120.0°
C6	C9	C10	C16	63.6°	179.7°
C6	C9	C10	C11	115.9°	0.0°
C9	C6	C5	H8	179.3°	180.0°
C6	C9	C8	H11	178.1°	179.8°
O1	C15	C14	C16	41.2°	0.1°
O1	C15	C14	O	179.7°	180.0°
O1	C15	C14	C13	138.2°	180.0°
O1	C15	O	H16	0.0°	0.0°
C9	C10	C16	C11	179.5°	179.7°
C9	C10	C16	C14	179.2°	179.8°
C9	C10	C11	C12	179.1°	179.8°
C9	C10	C11	H12	0.9°	0.3°
C9	C10	C16	H15	0.9°	0.3°
C10	C9	C6	H9	6.7°	0.0°
C10	C9	C8	H11	6.6°	0.0°
C10	C16	C14	H15	180.0°	180.0°
C10	C16	C14	C15	179.4°	180.0°
C10	C16	C14	C13	0.0°	0.1°
C16	C10	C11	C12	0.3°	0.1°
C16	C10	C11	H12	179.6°	180.0°
C14	C16	C10	C11	0.3°	0.1°
C16	C14	C15	C13	179.4°	179.9°
C16	C14	C15	O	139.2°	179.9°
C16	C14	C13	C12	0.2°	0.1°
C16	C14	C13	H14	179.7°	180.0°
C10	C11	C12	H12	180.0°	179.9°
C10	C11	C12	C13	0.1°	0.1°
C10	C11	C12	H13	179.9°	180.0°
C11	C10	C16	H15	179.7°	180.0°
C15	C14	C13	C12	179.2°	180.0°
C14	C15	O	H16	179.6°	180.0°
C15	C14	C13	H14	0.9°	0.0°
C15	C14	C16	H15	0.5°	0.0°
O	C15	C14	C13	41.4°	0.0°
C14	C13	C12	C11	0.2°	0.1°
C14	C13	C12	H14	180.0°	179.9°
C14	C13	C12	H13	179.8°	180.0°
C13	C14	C16	H15	180.0°	179.9°
C11	C12	C13	H13	180.0°	179.9°
C11	C12	C13	H14	179.7°	180.0°
C13	C12	C11	H12	179.9°	180.0°
H3	N	C2	H4	172.9°	120.3°
H3	N	C2	H5	53.8°	119.7°
H2	C	H1	H	120.0°	120.0°
H12	C11	C12	H13	0.1°	0.1°
H13	C12	C13	H14	0.3°	0.1°
H4	C2	C3	H7	161.3°	180.0°
H4	C2	C3	H6	80.3°	60.0°
H5	C2	C3	H7	79.6°	60.0°
H5	C2	C3	H6	38.8°	180.0°
H8	C5	C6	H9	0.7°	0.0°
H10	C7	C8	H11	0.5°	0.1°

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