FOD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C12	sing	1.53Å	1.52Å
C11	C10	sing	1.53Å	1.51Å
C12	C7	sing	1.53Å	1.52Å
N	CA	sing	1.47Å	1.46Å
O2	C10	sing	1.43Å	1.43Å
C6	N4	sing	1.35Å	1.34Å	Aromatic
C6	C5	doub	1.35Å	1.36Å	Aromatic
C10	C9	sing	1.53Å	1.51Å
C7	N4	sing	1.47Å	1.48Å
C7	C8	sing	1.53Å	1.52Å
N4	N3	sing	1.29Å	1.35Å	Aromatic
CG	C5	sing	1.51Å	1.50Å
CG	CB	sing	1.53Å	1.53Å
C5	N2	sing	1.34Å	1.36Å	Aromatic
OXT	C	sing	1.34Å	1.41Å
CA	CB	sing	1.53Å	1.52Å
CA	C	sing	1.51Å	1.52Å
C9	C8	sing	1.53Å	1.53Å
N3	N2	doub	1.29Å	1.31Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C7	H12	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	HA	sing	1.09Å	1.10Å
CB	HB1	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CG	HG1	sing	1.09Å	1.10Å
CG	HG2	sing	1.09Å	1.10Å
O2	H21	sing	0.97Å	0.95Å
C	O	doub	1.21Å	1.33Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	C10	111.4°	109.5°
C11	C12	C7	108.5°	109.5°
C12	C11	H8	109.0°	109.5°
C12	C11	H9	109.0°	109.5°
C11	C12	H10	109.7°	109.5°
C11	C12	H11	109.7°	109.5°
C11	C10	O2	108.7°	109.5°
C11	C10	C9	111.3°	109.5°
C11	C10	H7	108.8°	109.5°
C10	C11	H8	109.0°	109.5°
C10	C11	H9	109.0°	109.5°
C12	C7	N4	109.3°	109.5°
C12	C7	C8	110.4°	109.5°
C12	C7	H12	109.1°	109.5°
C7	C12	H10	109.7°	109.4°
C7	C12	H11	109.7°	109.5°
N	CA	CB	111.3°	109.5°
N	CA	C	110.5°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
N	CA	HA	107.9°	109.5°
O2	C10	C9	109.4°	109.5°
O2	C10	H7	109.9°	109.5°
C10	O2	H21	109.5°	114.0°
N4	C6	C5	105.2°	106.2°
C6	N4	C7	128.9°	125.8°
C6	N4	N3	110.6°	108.3°
N4	C6	H1	127.4°	126.9°
C6	C5	CG	131.4°	126.8°
C6	C5	N2	108.0°	106.5°
C5	C6	H1	127.4°	126.9°
C10	C9	C8	111.7°	109.5°
C10	C9	H5	108.9°	109.5°
C10	C9	H6	108.9°	109.5°
C9	C10	H7	108.8°	109.5°
N4	C7	C8	109.3°	109.5°
C7	N4	N3	120.4°	125.9°
N4	C7	H12	109.5°	109.4°
C7	C8	C9	109.8°	109.4°
C8	C7	H12	109.1°	109.4°
C7	C8	H3	109.4°	109.5°
C7	C8	H4	109.4°	109.4°
N4	N3	N2	106.9°	110.2°
C5	CG	CB	113.5°	109.5°
CG	C5	N2	120.7°	126.8°
C5	CG	HG1	108.5°	109.4°
C5	CG	HG2	108.5°	109.5°
CG	CB	CA	112.3°	109.5°
CG	CB	HB1	108.8°	109.5°
CG	CB	HB2	108.7°	109.5°
CB	CG	HG1	108.5°	109.5°
CB	CG	HG2	108.4°	109.5°
C5	N2	N3	109.3°	108.9°
OXT	C	CA	114.9°	120.0°
OXT	C	O	124.7°	120.0°
C	OXT	HXT	109.5°	117.0°
CB	CA	C	112.4°	109.4°
CB	CA	HA	107.2°	109.5°
CA	CB	HB1	108.8°	109.5°
CA	CB	HB2	108.8°	109.4°
C	CA	HA	107.2°	109.5°
CA	C	O	120.3°	120.0°
C9	C8	H3	109.4°	109.5°
C9	C8	H4	109.4°	109.5°
C8	C9	H5	108.9°	109.5°
C8	C9	H6	108.9°	109.4°
H3	C8	H4	109.5°	109.5°
H5	C9	H6	109.5°	109.4°
H8	C11	H9	109.5°	109.4°
H10	C12	H11	109.5°	109.4°
H	N	H2	109.5°	110.9°
HB1	CB	HB2	109.5°	109.5°
HG1	CG	HG2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	C10	H8	120.3°	120.0°
C12	C11	C10	H9	120.3°	120.0°
C11	C12	C7	H10	119.8°	120.0°
C11	C12	C7	H11	119.9°	120.1°
C12	C11	C10	O2	176.1°	180.0°
C12	C11	C10	C9	55.6°	60.0°
C11	C12	C7	N4	178.9°	180.0°
C11	C12	C7	C8	60.8°	60.0°
C11	C12	C7	H12	59.1°	60.0°
C12	C11	C10	H7	64.2°	60.0°
C12	C11	H8	H9	119.1°	120.0°
C11	C12	H10	H11	120.5°	120.0°
C10	C11	C12	C7	58.8°	60.0°
C11	C10	O2	C9	121.7°	120.0°
C11	C10	O2	H7	119.0°	120.0°
C11	C10	C9	H7	119.8°	120.0°
C11	C10	C9	C8	53.6°	60.0°
C11	C10	C9	H5	173.9°	60.0°
C11	C10	C9	H6	66.8°	180.0°
C10	C11	H8	H9	119.1°	120.0°
C10	C11	C12	H10	178.6°	60.0°
C10	C11	C12	H11	61.0°	180.0°
C11	C10	O2	H21	180.0°	60.0°
C12	C7	N4	C6	108.8°	35.1°
C12	C7	N4	C8	121.0°	120.1°
C12	C7	N4	H12	119.5°	120.0°
C12	C7	C8	H12	119.9°	120.0°
C12	C7	N4	N3	71.3°	145.0°
C12	C7	C8	C9	59.4°	59.9°
C12	C7	C8	H3	179.4°	180.0°
C12	C7	C8	H4	60.7°	60.0°
C7	C12	C11	H8	179.1°	60.1°
C7	C12	C11	H9	61.5°	180.0°
C7	C12	H10	H11	120.4°	120.0°
N	CA	CB	CG	69.3°	65.0°
N	CA	C	OXT	53.9°	160.0°
N	CA	CB	C	124.6°	120.0°
N	CA	CB	HA	117.8°	120.0°
N	CA	C	HA	117.4°	120.0°
CA	N	H	H2	120.0°	123.9°
N	CA	CB	HB1	170.3°	55.0°
N	CA	CB	HB2	51.1°	175.0°
N	CA	C	O	124.1°	20.0°
O2	C10	C9	H7	120.1°	120.0°
O2	C10	C9	C8	173.6°	180.0°
O2	C10	C9	H5	66.1°	59.9°
O2	C10	C9	H6	53.3°	60.0°
O2	C10	C11	H8	63.6°	60.0°
O2	C10	C11	H9	55.8°	60.0°
N4	C6	C5	H1	180.0°	180.0°
C6	N4	C7	N3	179.8°	179.9°
C6	N4	C7	C8	130.2°	85.0°
N4	C6	C5	CG	179.8°	179.8°
N4	C6	C5	N2	0.1°	0.1°
C6	N4	N3	N2	0.3°	0.0°
C6	N4	C7	H12	10.7°	155.1°
C5	C6	N4	C7	180.0°	180.0°
C5	C6	N4	N3	0.2°	0.0°
C6	C5	CG	N2	179.7°	179.8°
C6	C5	CG	CB	61.9°	125.3°
C6	C5	N2	N3	0.1°	0.1°
C6	C5	CG	HG1	58.7°	114.7°
C6	C5	CG	HG2	177.5°	5.2°
C10	C9	C8	C7	55.3°	60.0°
C10	C9	C8	H5	120.3°	120.1°
C10	C9	C8	H6	120.3°	120.0°
C10	C9	C8	H3	175.3°	180.0°
C10	C9	C8	H4	64.8°	59.9°
C10	C9	H5	H6	119.0°	120.0°
C9	C10	C11	H8	175.9°	60.0°
C9	C10	C11	H9	64.7°	180.0°
C9	C10	O2	H21	58.3°	180.0°
N4	C7	C8	H12	119.8°	119.9°
N4	C7	C8	C9	179.7°	180.0°
C7	N4	N3	N2	179.9°	180.0°
C7	N4	C6	H1	0.1°	0.1°
N4	C7	C8	H3	60.3°	60.0°
N4	C7	C8	H4	59.6°	60.1°
N4	C7	C12	H10	59.1°	60.1°
N4	C7	C12	H11	61.3°	59.9°
C8	C7	N4	N3	49.6°	94.9°
C7	C8	C9	H3	120.0°	120.0°
C7	C8	C9	H4	120.1°	119.9°
C7	C8	H3	H4	119.9°	119.9°
C7	C8	C9	H5	175.6°	60.1°
C7	C8	C9	H6	65.1°	180.0°
C8	C7	C12	H10	179.3°	60.0°
C8	C7	C12	H11	59.0°	180.0°
N4	N3	N2	C5	0.2°	0.0°
N3	N4	C6	H1	179.8°	180.0°
N3	N4	C7	H12	169.1°	25.0°
C5	CG	CB	HG1	120.6°	120.0°
C5	CG	CB	HG2	120.6°	120.0°
C5	CG	CB	CA	175.6°	180.0°
CG	C5	N2	N3	179.6°	179.8°
CG	C5	C6	H1	0.2°	0.2°
C5	CG	CB	HB1	64.0°	60.0°
C5	CG	CB	HB2	55.2°	60.0°
C5	CG	HG1	HG2	118.2°	119.9°
CB	CG	C5	N2	117.7°	55.0°
CG	CB	CA	HB1	120.4°	120.0°
CG	CB	CA	HB2	120.4°	120.0°
CG	CB	CA	C	166.2°	175.0°
CG	CB	CA	HA	48.6°	55.0°
CG	CB	HB1	HB2	118.7°	120.0°
CB	CG	HG1	HG2	118.1°	120.0°
N2	C5	C6	H1	179.9°	180.0°
N2	C5	CG	HG1	121.7°	65.1°
N2	C5	CG	HG2	2.8°	175.0°
OXT	C	CA	CB	71.0°	80.0°
OXT	C	CA	O	178.1°	180.0°
OXT	C	CA	HA	171.4°	40.0°
CB	CA	C	HA	117.6°	120.0°
CB	CA	N	H	180.0°	60.0°
CB	CA	N	H2	60.0°	63.9°
CA	CB	HB1	HB2	118.7°	120.0°
CA	CB	CG	HG1	55.0°	60.0°
CA	CB	CG	HG2	63.8°	60.0°
CB	CA	C	O	110.9°	100.0°
C	CA	N	H	54.4°	60.0°
C	CA	N	H2	65.6°	176.1°
C	CA	CB	HB1	45.7°	65.0°
C	CA	CB	HB2	73.4°	55.0°
CA	C	OXT	HXT	178.0°	180.0°
C9	C8	C7	H12	60.6°	60.1°
C9	C8	H3	H4	119.9°	120.1°
C8	C9	H5	H6	119.0°	119.9°
C8	C9	C10	H7	66.3°	60.0°
H12	C7	C8	H3	59.5°	60.0°
H12	C7	C8	H4	179.4°	180.0°
H12	C7	C12	H10	60.7°	180.0°
H12	C7	C12	H11	179.0°	60.1°
H3	C8	C9	H5	64.4°	59.9°
H3	C8	C9	H6	55.0°	60.0°
H4	C8	C9	H5	55.5°	180.0°
H4	C8	C9	H6	174.9°	60.1°
H5	C9	C10	H7	54.0°	180.0°
H6	C9	C10	H7	173.4°	60.0°
H7	C10	C11	H8	56.1°	180.0°
H7	C10	C11	H9	175.5°	60.0°
H7	C10	O2	H21	61.0°	60.0°
H8	C11	C12	H10	61.1°	NaN°
H8	C11	C12	H11	59.2°	60.0°
H9	C11	C12	H10	58.3°	60.0°
H9	C11	C12	H11	178.7°	60.0°
H	N	CA	HA	62.6°	180.0°
H2	N	CA	HA	177.4°	56.1°
HA	CA	CB	HB1	71.9°	175.0°
HA	CA	CB	HB2	169.0°	65.0°
HA	CA	C	O	6.7°	140.0°
HB1	CB	CG	HG1	175.4°	60.0°
HB1	CB	CG	HG2	56.6°	180.0°
HB2	CB	CG	HG1	65.4°	180.0°
HB2	CB	CG	HG2	175.8°	60.0°
O	C	OXT	HXT	0.0°	0.0°

Release date:	2019-02-20
Definition date:	2018-04-11
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	6CXG