FCF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O40	HO40	sing	0.97Å	0.95Å
C38	O40	sing	1.35Å	1.43Å
O39	C38	doub	1.21Å	1.25Å
C5	C38	sing	1.48Å	1.50Å
C5	C4	sing	1.39Å	1.40Å	Aromatic
C6	C5	doub	1.40Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C1	C6	sing	1.38Å	1.40Å	Aromatic
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C3	C4	doub	1.39Å	1.40Å	Aromatic
C3	C17	sing	1.48Å	1.48Å
C2	C3	sing	1.40Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
N18	C17	doub	1.29Å	1.26Å
N18	O21	sing	1.42Å	1.36Å
C22	O21	sing	1.43Å	1.43Å
C22	C23	sing	1.53Å	1.53Å
C22	H22	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
C23	O27	sing	1.43Å	1.43Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
O27	N31	sing	1.42Å	1.36Å
N31	C30	doub	1.29Å	1.26Å
C30	C16	sing	1.47Å	1.48Å
C30	H30	sing	1.08Å	1.08Å
C16	C15	doub	1.37Å	1.39Å
N11	C16	sing	1.38Å	1.34Å
N11	C12	sing	1.35Å	1.34Å
C15	C14	sing	1.41Å	1.39Å
C14	O33	doub	1.22Å	1.25Å
N13	C14	sing	1.35Å	1.34Å
N13	HN13	sing	0.97Å	1.00Å
C12	N13	sing	1.35Å	1.34Å
O34	C12	doub	1.22Å	1.25Å
N11	H13	sing	0.97Å	1.00Å
C15	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
HO40	O40	C38	109.5°	117.0°
O40	C38	O39	121.4°	120.0°
O40	C38	C5	119.2°	120.0°
O39	C38	C5	119.3°	120.0°
C38	C5	C4	119.9°	120.1°
C38	C5	C6	120.4°	120.1°
C4	C5	C6	119.7°	119.8°
C5	C4	H4	120.0°	120.1°
C5	C4	C3	120.1°	119.7°
C5	C6	H6	119.8°	119.9°
C5	C6	C1	120.4°	120.2°
H6	C6	C1	119.8°	119.9°
C6	C1	C2	119.7°	120.3°
C6	C1	H1	120.1°	119.9°
C2	C1	H1	120.2°	119.8°
C1	C2	C3	120.3°	120.1°
C1	C2	H2	119.9°	120.0°
H4	C4	C3	119.9°	120.2°
C4	C3	C17	119.3°	120.0°
C4	C3	C2	119.9°	119.9°
C17	C3	C2	120.9°	120.1°
C3	C17	H17	119.2°	120.0°
C3	C17	N18	121.5°	120.0°
C3	C2	H2	119.9°	119.9°
H17	C17	N18	119.3°	120.0°
C17	N18	O21	120.1°	120.0°
N18	O21	C22	120.3°	114.0°
O21	C22	C23	109.8°	109.5°
O21	C22	H22	109.4°	109.4°
O21	C22	H22A	109.3°	109.5°
C23	C22	H22	109.3°	109.5°
C23	C22	H22A	109.3°	109.5°
C22	C23	O27	110.8°	109.5°
C22	C23	H23	109.1°	109.5°
C22	C23	H23A	108.8°	109.5°
H22	C22	H22A	109.8°	109.5°
O27	C23	H23	109.0°	109.5°
O27	C23	H23A	108.7°	109.5°
C23	O27	N31	120.2°	114.0°
H23	C23	H23A	110.5°	109.5°
O27	N31	C30	121.5°	120.0°
N31	C30	C16	118.9°	120.0°
N31	C30	H30	120.5°	120.1°
C16	C30	H30	120.6°	119.9°
C30	C16	C15	121.0°	120.4°
C30	C16	N11	119.2°	120.3°
C15	C16	N11	119.8°	119.3°
C16	C15	C14	118.0°	119.0°
C16	C15	H15	121.0°	120.5°
C16	N11	C12	121.0°	120.4°
C16	N11	H13	119.5°	119.8°
N11	C12	N13	120.5°	121.1°
N11	C12	O34	119.7°	119.4°
C12	N11	H13	119.5°	119.8°
C15	C14	O33	120.7°	120.2°
C15	C14	N13	119.7°	119.5°
C14	C15	H15	121.0°	120.5°
O33	C14	N13	119.6°	120.3°
C14	N13	HN13	119.5°	119.6°
C14	N13	C12	121.0°	120.6°
HN13	N13	C12	119.5°	119.7°
N13	C12	O34	119.8°	119.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
HO40	O40	C38	O39	0.0°	0.0°
HO40	O40	C38	C5	179.4°	180.0°
O40	C38	O39	C5	179.5°	180.0°
O40	C38	C5	C4	7.9°	180.0°
O40	C38	C5	C6	172.4°	0.3°
O39	C38	C5	C4	171.6°	0.0°
O39	C38	C5	C6	8.1°	179.7°
C38	C5	C4	C6	179.7°	179.8°
C38	C5	C6	H6	0.2°	0.0°
C38	C5	C6	C1	179.8°	180.0°
C38	C5	C4	H4	0.1°	0.0°
C38	C5	C4	C3	179.9°	180.0°
C4	C5	C6	H6	179.9°	179.7°
C4	C5	C6	C1	0.1°	0.2°
C5	C4	H4	C3	180.0°	179.9°
C5	C4	C3	C17	180.0°	180.0°
C5	C4	C3	C2	0.2°	0.1°
C5	C6	H6	C1	180.0°	180.0°
C5	C6	C1	C2	0.0°	0.0°
C5	C6	C1	H1	179.9°	180.0°
C6	C5	C4	H4	179.8°	179.7°
C6	C5	C4	C3	0.2°	0.2°
H6	C6	C1	C2	180.0°	180.0°
H6	C6	C1	H1	0.0°	0.0°
C6	C1	C2	H1	180.0°	180.0°
C6	C1	C2	C3	0.0°	0.3°
C6	C1	C2	H2	180.0°	180.0°
C1	C2	C3	C4	0.1°	0.3°
C1	C2	C3	C17	179.9°	179.8°
C1	C2	C3	H2	180.0°	179.7°
H1	C1	C2	C3	179.9°	179.7°
H1	C1	C2	H2	0.1°	0.0°
H4	C4	C3	C17	0.0°	0.1°
H4	C4	C3	C2	179.8°	180.0°
C4	C3	C17	C2	179.9°	179.9°
C4	C3	C2	H2	179.9°	180.0°
C4	C3	C17	H17	5.3°	0.1°
C4	C3	C17	N18	174.7°	180.0°
C17	C3	C2	H2	0.1°	0.1°
C3	C17	H17	N18	180.0°	179.9°
C3	C17	N18	O21	179.7°	180.0°
C2	C3	C17	H17	174.8°	180.0°
C2	C3	C17	N18	5.2°	0.1°
H17	C17	N18	O21	0.2°	0.1°
C17	N18	O21	C22	178.0°	180.0°
N18	O21	C22	C23	84.6°	180.0°
N18	O21	C22	H22	155.4°	60.0°
N18	O21	C22	H22A	35.2°	60.0°
O21	C22	C23	H22	120.0°	120.0°
O21	C22	C23	H22A	119.9°	120.0°
O21	C22	H22	H22A	119.9°	120.0°
O21	C22	C23	O27	98.7°	64.9°
O21	C22	C23	H23	141.3°	175.0°
O21	C22	C23	H23A	20.7°	55.0°
C23	C22	H22	H22A	119.8°	120.0°
C22	C23	O27	H23	120.0°	120.1°
C22	C23	O27	H23A	119.5°	120.0°
C22	C23	H23	H23A	119.5°	120.0°
C22	C23	O27	N31	68.1°	180.0°
H22	C22	C23	O27	21.3°	55.0°
H22	C22	C23	H23	98.7°	65.0°
H22	C22	C23	H23A	140.7°	175.0°
H22A	C22	C23	O27	141.4°	175.0°
H22A	C22	C23	H23	21.4°	55.0°
H22A	C22	C23	H23A	99.2°	65.0°
O27	C23	H23	H23A	119.4°	120.0°
C23	O27	N31	C30	152.1°	180.0°
H23	C23	O27	N31	171.9°	59.9°
H23A	C23	O27	N31	51.4°	60.0°
O27	N31	C30	C16	180.0°	180.0°
O27	N31	C30	H30	0.0°	0.0°
N31	C30	C16	H30	180.0°	180.0°
N31	C30	C16	C15	155.5°	180.0°
N31	C30	C16	N11	24.4°	0.3°
C30	C16	C15	N11	179.9°	179.7°
C30	C16	N11	C12	179.8°	180.0°
C30	C16	C15	C14	180.0°	180.0°
C30	C16	N11	H13	0.2°	0.1°
C30	C16	C15	H15	0.0°	0.0°
H30	C30	C16	C15	24.5°	0.0°
H30	C30	C16	N11	155.5°	179.7°
C15	C16	N11	C12	0.2°	0.3°
C16	C15	C14	H15	180.0°	180.0°
C16	C15	C14	O33	179.9°	180.0°
C16	C15	C14	N13	0.0°	0.1°
C15	C16	N11	H13	179.9°	179.7°
C16	N11	C12	H13	180.0°	179.9°
N11	C16	C15	C14	0.0°	0.3°
C16	N11	C12	N13	0.3°	0.1°
C16	N11	C12	O34	179.7°	180.0°
N11	C16	C15	H15	180.0°	179.7°
N11	C12	N13	C14	0.3°	0.2°
N11	C12	N13	HN13	179.7°	180.0°
N11	C12	N13	O34	180.0°	180.0°
C15	C14	O33	N13	179.8°	180.0°
C15	C14	N13	HN13	179.8°	180.0°
C15	C14	N13	C12	0.1°	0.2°
O33	C14	N13	HN13	0.3°	0.0°
O33	C14	N13	C12	179.7°	179.8°
O33	C14	C15	H15	0.1°	0.0°
C14	N13	HN13	C12	180.0°	179.8°
C14	N13	C12	O34	179.7°	179.8°
N13	C14	C15	H15	180.0°	179.9°
HN13	N13	C12	O34	0.3°	0.1°
N13	C12	N11	H13	179.7°	180.0°
O34	C12	N11	H13	0.3°	0.0°

Definition date:	2008-11-24
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3FCF