3FL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C23	sing	1.53Å	1.52Å
C8	N31	sing	1.47Å	1.42Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C5	C4	sing	1.40Å	1.39Å	Aromatic
C5	C38	sing	1.48Å	1.50Å
C6	C5	doub	1.40Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C2	C3	sing	1.38Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
O40	HO40	sing	0.97Å	0.95Å
C38	O40	sing	1.35Å	1.20Å
O39	C38	doub	1.21Å	1.33Å
C1	C6	sing	1.38Å	1.39Å	Aromatic
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C3	C4	doub	1.38Å	1.40Å	Aromatic
C3	C17	sing	1.51Å	1.51Å
C17	N18	sing	1.47Å	1.45Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
N18	C7	sing	1.47Å	1.45Å
N18	HN18	sing	1.01Å	1.00Å
C7	C22	sing	1.53Å	1.52Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C22	C23	sing	1.53Å	1.52Å
C22	H22	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
N31	HN31	sing	1.01Å	1.00Å
C30	N31	sing	1.47Å	1.42Å
C30	H30	sing	1.09Å	1.10Å
C30	H30A	sing	1.09Å	1.10Å
C16	C30	sing	1.51Å	1.51Å
C16	C15	doub	1.35Å	1.39Å
N11	C16	sing	1.37Å	1.35Å
C14	C15	sing	1.42Å	1.39Å
C14	O33	doub	1.22Å	1.25Å
N13	C14	sing	1.35Å	1.35Å
N13	HN13	sing	0.97Å	1.00Å
C12	N11	sing	1.35Å	1.34Å
C12	N13	sing	1.35Å	1.34Å
O34	C12	doub	1.22Å	1.25Å
N11	H21	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)
C23	C8	N31	112.5°	109.4°
C23	C8	H8	108.5°	109.4°
C23	C8	H8A	107.8°	109.4°
C8	C23	C22	110.0°	109.5°
C8	C23	H23	109.3°	109.5°
C8	C23	H23A	109.2°	109.5°
N31	C8	H8	108.5°	109.5°
N31	C8	H8A	107.8°	109.5°
C8	N31	HN31	110.2°	111.0°
C8	N31	C30	107.2°	111.0°
H8	C8	H8A	111.8°	109.5°
C4	C5	C38	120.9°	120.2°
C4	C5	C6	120.3°	119.7°
C5	C4	H4	120.2°	120.1°
C5	C4	C3	119.6°	119.8°
C38	C5	C6	118.8°	120.1°
C5	C38	O40	120.6°	120.0°
C5	C38	O39	117.4°	120.0°
C5	C6	H6	120.0°	120.1°
C5	C6	C1	119.9°	119.8°
H6	C6	C1	120.0°	120.1°
C3	C2	H2	120.0°	119.8°
C3	C2	C1	119.9°	120.3°
C2	C3	C4	120.1°	120.2°
C2	C3	C17	119.3°	119.9°
H2	C2	C1	120.0°	119.9°
H4	C4	C3	120.2°	120.1°
HO40	O40	C38	109.5°	117.0°
O40	C38	O39	122.0°	120.0°
C6	C1	C2	120.1°	120.2°
C6	C1	H1	120.0°	119.9°
C2	C1	H1	119.9°	119.9°
C4	C3	C17	120.6°	119.9°
C3	C17	N18	109.4°	109.5°
C3	C17	H17	109.5°	109.5°
C3	C17	H17A	109.5°	109.5°
N18	C17	H17	109.5°	109.5°
N18	C17	H17A	109.6°	109.4°
C17	N18	C7	120.8°	111.0°
C17	N18	HN18	105.8°	111.0°
H17	C17	H17A	109.4°	109.4°
C7	N18	HN18	105.9°	111.0°
N18	C7	C22	111.2°	109.5°
N18	C7	H7	108.9°	109.5°
N18	C7	H7A	108.5°	109.5°
C22	C7	H7	108.9°	109.4°
C22	C7	H7A	108.5°	109.5°
C7	C22	C23	111.6°	109.5°
C7	C22	H22	108.8°	109.4°
C7	C22	H22A	108.3°	109.4°
H7	C7	H7A	110.8°	109.5°
C23	C22	H22	108.8°	109.5°
C23	C22	H22A	108.3°	109.5°
C22	C23	H23	109.3°	109.5°
C22	C23	H23A	109.2°	109.5°
H22	C22	H22A	111.1°	109.5°
H23	C23	H23A	109.9°	109.4°
HN31	N31	C30	110.2°	110.9°
N31	C30	H30	109.5°	109.4°
N31	C30	H30A	109.5°	109.5°
N31	C30	C16	109.4°	109.5°
H30	C30	H30A	109.4°	109.5°
H30	C30	C16	109.5°	109.5°
H30A	C30	C16	109.5°	109.5°
C30	C16	C15	119.7°	120.2°
C30	C16	N11	120.0°	120.2°
C15	C16	N11	120.3°	119.6°
C16	C15	C14	117.7°	119.1°
C16	C15	H15	121.1°	120.4°
C16	N11	C12	120.7°	120.7°
C16	N11	H21	119.6°	119.7°
C15	C14	O33	120.2°	120.3°
C15	C14	N13	119.8°	119.4°
C14	C15	H15	121.1°	120.5°
O33	C14	N13	120.0°	120.3°
C14	N13	HN13	119.4°	119.8°
C14	N13	C12	121.2°	120.3°
HN13	N13	C12	119.4°	119.9°
N11	C12	N13	120.2°	120.9°
N11	C12	O34	120.2°	119.6°
C12	N11	H21	119.6°	119.7°
N13	C12	O34	119.6°	119.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C23	C8	N31	H8	120.0°	119.9°
C23	C8	N31	H8A	118.7°	120.0°
C23	C8	H8	H8A	118.8°	120.0°
C8	C23	C22	C7	77.4°	180.0°
C8	C23	C22	H23	120.0°	120.0°
C8	C23	C22	H23A	119.8°	120.0°
C8	C23	C22	H22	42.6°	60.0°
C8	C23	C22	H22A	163.5°	60.0°
C8	C23	H23	H23A	119.8°	120.0°
C23	C8	N31	HN31	72.0°	56.1°
C23	C8	N31	C30	168.0°	180.0°
N31	C8	H8	H8A	118.8°	120.1°
N31	C8	C23	C22	106.1°	180.0°
N31	C8	C23	H23	133.9°	60.0°
N31	C8	C23	H23A	13.6°	60.0°
C8	N31	HN31	C30	118.1°	123.9°
C8	N31	C30	H30	127.4°	60.0°
C8	N31	C30	H30A	7.5°	59.9°
C8	N31	C30	C16	112.6°	180.0°
H8	C8	C23	C22	133.8°	60.0°
H8	C8	C23	H23	13.8°	60.0°
H8	C8	C23	H23A	106.4°	180.0°
H8	C8	N31	HN31	168.0°	176.1°
H8	C8	N31	C30	48.0°	60.1°
H8A	C8	C23	C22	12.5°	60.0°
H8A	C8	C23	H23	107.5°	180.0°
H8A	C8	C23	H23A	132.3°	60.0°
H8A	C8	N31	HN31	46.7°	63.9°
H8A	C8	N31	C30	73.3°	60.0°
C4	C5	C38	C6	178.9°	179.7°
C4	C5	C6	H6	179.6°	180.0°
C5	C4	C3	C2	0.1°	0.5°
C5	C4	H4	C3	180.0°	180.0°
C4	C5	C38	O40	64.3°	180.0°
C4	C5	C38	O39	115.8°	0.0°
C4	C5	C6	C1	0.5°	0.0°
C5	C4	C3	C17	179.5°	180.0°
C38	C5	C6	H6	0.6°	0.2°
C38	C5	C4	H4	0.7°	0.0°
C5	C38	O40	HO40	179.9°	180.0°
C5	C38	O40	O39	179.9°	180.0°
C38	C5	C6	C1	179.4°	179.7°
C38	C5	C4	C3	179.3°	180.0°
C5	C6	H6	C1	180.0°	179.9°
C6	C5	C4	H4	179.6°	179.7°
C6	C5	C38	O40	116.8°	0.3°
C6	C5	C38	O39	63.1°	179.8°
C5	C6	C1	C2	0.3°	0.1°
C5	C6	C1	H1	179.7°	180.0°
C6	C5	C4	C3	0.4°	0.3°
H6	C6	C1	C2	179.7°	180.0°
H6	C6	C1	H1	0.3°	0.1°
C3	C2	H2	C1	180.0°	179.5°
C2	C3	C4	H4	179.9°	179.5°
C3	C2	C1	C6	0.0°	0.2°
C3	C2	C1	H1	179.9°	179.7°
C2	C3	C4	C17	179.6°	179.5°
C2	C3	C17	N18	102.6°	90.0°
C2	C3	C17	H17	17.4°	150.0°
C2	C3	C17	H17A	137.4°	30.0°
H2	C2	C1	C6	180.0°	179.7°
H2	C2	C1	H1	0.0°	0.2°
H2	C2	C3	C4	179.9°	180.0°
H2	C2	C3	C17	0.3°	0.5°
H4	C4	C3	C17	0.5°	0.0°
HO40	O40	C38	O39	0.0°	0.1°
C6	C1	C2	H1	180.0°	179.9°
C1	C2	C3	C4	0.0°	0.5°
C1	C2	C3	C17	179.6°	180.0°
C4	C3	C17	N18	77.0°	89.5°
C4	C3	C17	H17	162.9°	30.5°
C4	C3	C17	H17A	43.0°	150.5°
C3	C17	N18	H17	120.0°	120.1°
C3	C17	N18	H17A	120.1°	120.0°
C3	C17	H17	H17A	120.0°	120.0°
C3	C17	N18	C7	70.9°	180.0°
C3	C17	N18	HN18	169.0°	56.0°
N18	C17	H17	H17A	120.1°	120.0°
C17	N18	C7	HN18	120.0°	123.9°
C17	N18	C7	C22	163.8°	180.0°
C17	N18	C7	H7	76.1°	60.0°
C17	N18	C7	H7A	44.5°	60.0°
H17	C17	N18	C7	49.1°	60.0°
H17	C17	N18	HN18	71.0°	176.1°
H17A	C17	N18	C7	169.0°	60.0°
H17A	C17	N18	HN18	49.0°	63.9°
N18	C7	C22	H7	120.0°	120.0°
N18	C7	C22	H7A	119.3°	120.0°
N18	C7	H7	H7A	119.3°	120.0°
N18	C7	C22	C23	174.6°	180.0°
N18	C7	C22	H22	54.6°	60.0°
N18	C7	C22	H22A	66.3°	60.0°
HN18	N18	C7	C22	43.8°	56.1°
HN18	N18	C7	H7	163.8°	176.0°
HN18	N18	C7	H7A	75.5°	63.9°
C22	C7	H7	H7A	119.3°	120.0°
C7	C22	C23	H22	120.0°	120.0°
C7	C22	C23	H22A	119.1°	120.0°
C7	C22	H22	H22A	119.2°	120.0°
C7	C22	C23	H23	42.7°	60.0°
C7	C22	C23	H23A	162.9°	60.0°
H7	C7	C22	C23	65.4°	60.0°
H7	C7	C22	H22	174.6°	180.0°
H7	C7	C22	H22A	53.7°	60.0°
H7A	C7	C22	C23	55.3°	60.0°
H7A	C7	C22	H22	64.7°	60.0°
H7A	C7	C22	H22A	174.4°	180.0°
C23	C22	H22	H22A	119.1°	120.0°
C22	C23	H23	H23A	119.8°	120.0°
H22	C22	C23	H23	162.7°	60.0°
H22	C22	C23	H23A	77.1°	180.0°
H22A	C22	C23	H23	76.5°	180.0°
H22A	C22	C23	H23A	43.7°	60.0°
HN31	N31	C30	H30	112.6°	176.0°
HN31	N31	C30	H30A	127.4°	64.0°
HN31	N31	C30	C16	7.4°	56.1°
N31	C30	H30	H30A	120.1°	119.9°
N31	C30	H30	C16	119.9°	120.0°
N31	C30	H30A	C16	119.9°	120.1°
N31	C30	C16	C15	115.2°	115.0°
N31	C30	C16	N11	64.9°	64.7°
H30	C30	H30A	C16	120.0°	120.0°
H30	C30	C16	C15	4.8°	5.0°
H30	C30	C16	N11	175.1°	175.3°
H30A	C30	C16	C15	124.7°	125.0°
H30A	C30	C16	N11	55.2°	55.3°
C30	C16	C15	N11	179.9°	179.7°
C30	C16	C15	C14	179.7°	180.0°
C30	C16	N11	C12	179.8°	180.0°
C30	C16	N11	H21	0.1°	0.1°
C30	C16	C15	H15	0.3°	0.0°
C16	C15	C14	H15	180.0°	180.0°
C16	C15	C14	O33	179.9°	180.0°
C16	C15	C14	N13	0.4°	0.0°
C15	C16	N11	C12	0.1°	0.3°
C15	C16	N11	H21	180.0°	179.8°
N11	C16	C15	C14	0.2°	0.3°
C16	N11	C12	H21	180.0°	179.9°
C16	N11	C12	N13	0.1°	0.0°
C16	N11	C12	O34	179.5°	180.0°
N11	C16	C15	H15	179.8°	179.7°
C15	C14	O33	N13	179.5°	180.0°
C15	C14	N13	HN13	179.6°	180.0°
C15	C14	N13	C12	0.4°	0.3°
O33	C14	N13	HN13	0.1°	0.0°
O33	C14	N13	C12	179.9°	179.8°
O33	C14	C15	H15	0.1°	0.1°
C14	N13	HN13	C12	180.0°	179.7°
C14	N13	C12	N11	0.3°	0.2°
C14	N13	C12	O34	179.7°	179.7°
N13	C14	C15	H15	179.6°	180.0°
HN13	N13	C12	N11	179.7°	180.0°
HN13	N13	C12	O34	0.3°	0.0°
N11	C12	N13	O34	179.4°	180.0°
N13	C12	N11	H21	179.9°	179.9°
O34	C12	N11	H21	0.5°	0.1°

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