FQA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C5	doub	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C6	C1	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.39Å	Aromatic
C1	CH	sing	1.51Å	1.51Å
CH	NZ	sing	1.47Å	1.45Å
NZ	CE	sing	1.47Å	1.45Å
CE	CD	sing	1.53Å	1.52Å
CD	CG	sing	1.53Å	1.53Å
CG	CB	sing	1.53Å	1.52Å
CB	CA	sing	1.53Å	1.53Å
CA	C	sing	1.51Å	1.50Å
CA	N	sing	1.47Å	1.49Å
O	C	doub	1.21Å	1.23Å
C	OXT	sing	1.34Å	1.33Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	HA	sing	1.09Å	1.10Å
CB	H5	sing	1.09Å	1.10Å
CB	H6	sing	1.09Å	1.10Å
CG	H7	sing	1.09Å	1.10Å
CG	H8	sing	1.09Å	1.10Å
CD	H9	sing	1.09Å	1.10Å
CD	H10	sing	1.09Å	1.10Å
CE	H11	sing	1.09Å	1.10Å
CE	H12	sing	1.09Å	1.10Å
NZ	H13	sing	1.01Å	1.00Å
CH	H15	sing	1.09Å	1.10Å
CH	H16	sing	1.09Å	1.10Å
C2	H17	sing	1.08Å	1.08Å
C3	H18	sing	1.08Å	1.08Å
C4	H19	sing	1.08Å	1.08Å
C5	H20	sing	1.08Å	1.08Å
C6	H21	sing	1.08Å	1.08Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C4	C3	119.8°	120.0°
C4	C5	C6	120.2°	120.0°
C5	C4	H19	120.1°	120.0°
C4	C5	H20	119.9°	120.0°
C4	C3	C2	120.0°	119.9°
C4	C3	H18	120.0°	120.0°
C3	C4	H19	120.1°	119.9°
C5	C6	C1	120.0°	120.0°
C6	C5	H20	119.9°	120.0°
C5	C6	H21	120.0°	120.0°
C3	C2	C1	120.3°	120.0°
C3	C2	H17	119.9°	120.0°
C2	C3	H18	120.0°	120.0°
C6	C1	C2	119.7°	120.0°
C6	C1	CH	121.0°	120.0°
C1	C6	H21	120.0°	120.0°
C2	C1	CH	119.3°	120.0°
C1	C2	H17	119.9°	120.0°
C1	CH	NZ	114.7°	109.5°
C1	CH	H15	108.2°	109.5°
C1	CH	H16	108.1°	109.5°
CH	NZ	CE	108.2°	111.0°
CH	NZ	H13	109.8°	111.0°
NZ	CH	H15	108.1°	109.5°
NZ	CH	H16	108.2°	109.5°
NZ	CE	CD	112.8°	109.5°
NZ	CE	H11	108.6°	109.5°
NZ	CE	H12	108.6°	109.4°
CE	NZ	H13	109.8°	111.0°
CE	CD	CG	112.0°	109.5°
CE	CD	H9	108.8°	109.5°
CE	CD	H10	108.8°	109.4°
CD	CE	H11	108.6°	109.5°
CD	CE	H12	108.6°	109.5°
CD	CG	CB	111.6°	109.5°
CD	CG	H7	108.9°	109.5°
CD	CG	H8	108.9°	109.5°
CG	CD	H9	108.9°	109.5°
CG	CD	H10	108.8°	109.5°
CG	CB	CA	111.8°	109.5°
CG	CB	H5	108.9°	109.5°
CG	CB	H6	108.9°	109.5°
CB	CG	H7	108.9°	109.5°
CB	CG	H8	108.9°	109.4°
CB	CA	C	110.7°	109.5°
CB	CA	N	110.3°	109.5°
CB	CA	HA	108.4°	109.5°
CA	CB	H5	108.9°	109.5°
CA	CB	H6	108.9°	109.5°
C	CA	N	109.9°	109.5°
CA	C	O	120.7°	120.0°
CA	C	OXT	116.3°	120.0°
C	CA	HA	108.7°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.4°	111.0°
N	CA	HA	108.8°	109.4°
O	C	OXT	123.0°	120.0°
C	OXT	HXT	109.5°	117.0°
H	N	H2	109.5°	111.0°
H5	CB	H6	109.5°	109.4°
H7	CG	H8	109.5°	109.5°
H9	CD	H10	109.4°	109.4°
H11	CE	H12	109.5°	109.5°
H15	CH	H16	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C4	C3	H19	180.0°	179.7°
C4	C5	C6	H20	180.0°	179.6°
C5	C4	C3	C2	0.0°	0.0°
C4	C5	C6	C1	0.1°	0.6°
C5	C4	C3	H18	179.9°	180.0°
C4	C5	C6	H21	179.9°	180.0°
C3	C4	C5	C6	0.1°	0.3°
C4	C3	C2	H18	180.0°	180.0°
C4	C3	C2	C1	0.1°	0.0°
C4	C3	C2	H17	179.9°	180.0°
C3	C4	C5	H20	180.0°	180.0°
C5	C6	C1	H21	180.0°	179.4°
C5	C6	C1	C2	0.2°	0.6°
C5	C6	C1	CH	179.9°	179.7°
C6	C5	C4	H19	179.9°	180.0°
C3	C2	C1	C6	0.2°	0.3°
C3	C2	C1	H17	180.0°	179.9°
C3	C2	C1	CH	179.9°	180.0°
C2	C3	C4	H19	179.9°	179.7°
C6	C1	C2	CH	179.7°	179.7°
C6	C1	CH	NZ	23.7°	90.3°
C6	C1	CH	H15	144.5°	149.7°
C6	C1	CH	H16	97.1°	29.7°
C6	C1	C2	H17	179.8°	179.7°
C1	C6	C5	H20	179.9°	179.7°
C2	C1	CH	NZ	156.6°	90.0°
C2	C1	CH	H15	35.8°	30.0°
C2	C1	CH	H16	82.6°	150.0°
C1	C2	C3	H18	179.9°	180.0°
C2	C1	C6	H21	179.8°	180.0°
C1	CH	NZ	H15	120.8°	120.0°
C1	CH	NZ	H16	120.8°	120.0°
C1	CH	NZ	CE	172.3°	180.0°
C1	CH	NZ	H13	52.5°	56.0°
C1	CH	H15	H16	117.6°	120.0°
CH	C1	C2	H17	0.1°	0.0°
CH	C1	C6	H21	0.1°	0.3°
CH	NZ	CE	H13	119.8°	123.9°
CH	NZ	CE	CD	175.8°	180.0°
CH	NZ	CE	H11	55.3°	60.0°
CH	NZ	CE	H12	63.8°	60.0°
NZ	CH	H15	H16	117.6°	120.0°
NZ	CE	CD	H11	120.5°	120.0°
NZ	CE	CD	H12	120.5°	119.9°
NZ	CE	CD	CG	176.4°	180.0°
NZ	CE	CD	H9	56.0°	59.9°
NZ	CE	CD	H10	63.2°	60.0°
NZ	CE	H11	H12	118.5°	120.0°
CE	NZ	CH	H15	66.9°	60.0°
CE	NZ	CH	H16	51.5°	60.0°
CE	CD	CG	H9	120.4°	120.1°
CE	CD	CG	H10	120.4°	120.0°
CE	CD	CG	CB	67.3°	180.0°
CE	CD	CG	H7	53.1°	60.0°
CE	CD	CG	H8	172.4°	60.1°
CE	CD	H9	H10	118.8°	120.0°
CD	CE	H11	H12	118.5°	120.0°
CD	CE	NZ	H13	64.4°	56.1°
CD	CG	CB	H7	120.3°	120.0°
CD	CG	CB	H8	120.3°	120.0°
CD	CG	CB	CA	169.7°	180.0°
CD	CG	CB	H5	49.4°	60.0°
CD	CG	CB	H6	70.0°	60.0°
CD	CG	H7	H8	119.0°	120.0°
CG	CD	H9	H10	118.9°	120.0°
CG	CD	CE	H11	63.1°	60.0°
CG	CD	CE	H12	56.0°	60.1°
CG	CB	CA	H5	120.3°	120.0°
CG	CB	CA	H6	120.3°	120.0°
CG	CB	CA	C	58.3°	175.0°
CG	CB	CA	N	179.9°	65.0°
CG	CB	CA	HA	60.9°	55.0°
CG	CB	H5	H6	119.0°	120.0°
CB	CG	H7	H8	119.0°	120.0°
CB	CG	CD	H9	172.3°	60.0°
CB	CG	CD	H10	53.1°	60.0°
CB	CA	C	N	122.1°	120.0°
CB	CA	C	HA	119.0°	120.0°
CB	CA	N	HA	118.8°	120.0°
CB	CA	C	O	61.2°	100.0°
CB	CA	C	OXT	119.2°	80.0°
CB	CA	N	H	180.0°	60.1°
CB	CA	N	H2	60.0°	63.9°
CA	CB	H5	H6	118.9°	120.0°
CA	CB	CG	H7	70.0°	60.0°
CA	CB	CG	H8	49.4°	60.0°
C	CA	N	HA	118.9°	120.0°
CA	C	O	OXT	179.6°	180.0°
C	CA	N	H	57.7°	60.0°
C	CA	N	H2	62.4°	176.0°
C	CA	CB	H5	62.1°	65.0°
C	CA	CB	H6	178.6°	55.0°
CA	C	OXT	HXT	179.7°	180.0°
N	CA	C	O	61.0°	20.0°
N	CA	C	OXT	118.7°	160.0°
CA	N	H	H2	120.0°	124.0°
N	CA	CB	H5	59.8°	55.0°
N	CA	CB	H6	59.5°	175.0°
O	C	CA	HA	179.9°	140.0°
O	C	OXT	HXT	0.0°	0.0°
OXT	C	CA	HA	0.2°	40.0°
H	N	CA	HA	61.2°	180.0°
H2	N	CA	HA	178.7°	56.0°
HA	CA	CB	H5	178.8°	175.0°
HA	CA	CB	H6	59.5°	65.1°
H5	CB	CG	H7	169.7°	180.0°
H5	CB	CG	H8	70.9°	60.0°
H6	CB	CG	H7	50.4°	60.0°
H6	CB	CG	H8	169.7°	180.0°
H7	CG	CD	H9	67.3°	180.0°
H7	CG	CD	H10	173.5°	60.0°
H8	CG	CD	H9	52.0°	60.0°
H8	CG	CD	H10	67.2°	179.9°
H9	CD	CE	H11	176.5°	180.0°
H9	CD	CE	H12	64.5°	60.0°
H10	CD	CE	H11	57.3°	60.0°
H10	CD	CE	H12	176.3°	179.9°
H11	CE	NZ	H13	175.1°	63.9°
H12	CE	NZ	H13	56.1°	176.1°
H13	NZ	CH	H15	173.3°	64.0°
H13	NZ	CH	H16	68.3°	176.0°
H17	C2	C3	H18	0.1°	0.0°
H18	C3	C4	H19	0.1°	0.3°
H19	C4	C5	H20	0.0°	0.3°
H20	C5	C6	H21	0.1°	0.3°

Release date:	2019-04-10
Definition date:	2018-04-12
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	6D08