I2F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.48Å
CG	CD	sing	1.53Å	1.54Å
CG	CB	sing	1.53Å	1.54Å
O	C	sing	1.43Å	1.28Å
CD	CE	sing	1.53Å	1.52Å
CA	CB	sing	1.53Å	1.53Å
CA	C	sing	1.53Å	1.53Å
O4	C2	sing	1.43Å	1.42Å
CE	NZ	sing	1.46Å	1.45Å
NZ	CH	doub	1.28Å	1.26Å
CH	C2	sing	1.51Å	1.49Å
CH	C1	sing	1.51Å	1.50Å
C2	C3	sing	1.53Å	1.54Å
O6	C5	sing	1.43Å	1.43Å
C3	C5	sing	1.53Å	1.54Å
C5	C6	sing	1.53Å	1.53Å
C6	O1	sing	1.43Å	1.44Å
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
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
O4	H17	sing	0.97Å	0.95Å
C	H18	sing	1.09Å	1.10Å
O	H20	sing	0.97Å	0.95Å
C3	H21	sing	1.09Å	1.10Å
C3	H22	sing	1.09Å	1.10Å
C5	H23	sing	1.09Å	1.10Å
C6	H24	sing	1.09Å	1.10Å
C6	H25	sing	1.09Å	1.10Å
O6	H26	sing	0.97Å	0.95Å
O1	H27	sing	0.97Å	0.95Å
C	OXT	sing	1.43Å	45.02Å
OXT	HXT	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	CA	CB	111.1°	109.5°
N	CA	C	110.7°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
N	CA	HA	108.8°	109.5°
CD	CG	CB	112.6°	109.5°
CG	CD	CE	110.8°	109.5°
CD	CG	H7	108.7°	109.5°
CD	CG	H8	108.7°	109.5°
CG	CD	H9	109.1°	109.5°
CG	CD	H10	109.2°	109.5°
CG	CB	CA	117.8°	109.5°
CG	CB	H5	107.4°	109.4°
CG	CB	H6	107.4°	109.5°
CB	CG	H7	108.7°	109.5°
CB	CG	H8	108.7°	109.5°
O	C	CA	114.8°	109.4°
O	C	H18	112.0°	109.5°
C	O	H20	109.5°	114.0°
O	C	OXT	154.0°	109.5°
CD	CE	NZ	112.0°	109.5°
CE	CD	H9	109.2°	109.5°
CE	CD	H10	109.1°	109.4°
CD	CE	H11	108.9°	109.5°
CD	CE	H12	108.9°	109.4°
CB	CA	C	109.9°	109.5°
CB	CA	HA	108.2°	109.4°
CA	CB	H5	107.3°	109.5°
CA	CB	H6	107.3°	109.5°
C	CA	HA	108.1°	109.5°
CA	C	H18	108.3°	109.5°
CA	C	OXT	42.4°	109.4°
O4	C2	CH	102.6°	109.5°
O4	C2	C3	110.9°	109.4°
O4	C2	H16	110.1°	109.5°
C2	O4	H17	109.5°	114.0°
CE	NZ	CH	125.8°	120.0°
NZ	CE	H11	108.8°	109.5°
NZ	CE	H12	108.8°	109.5°
NZ	CH	C2	118.0°	120.0°
NZ	CH	C1	120.9°	120.0°
C2	CH	C1	121.1°	120.0°
CH	C2	C3	115.4°	109.5°
CH	C2	H16	109.1°	109.5°
CH	C1	H13	109.5°	109.5°
CH	C1	H14	109.5°	109.5°
CH	C1	H15	109.5°	109.5°
C2	C3	C5	113.0°	109.5°
C3	C2	H16	108.5°	109.5°
C2	C3	H21	108.6°	109.5°
C2	C3	H22	108.6°	109.5°
O6	C5	C3	111.4°	109.5°
O6	C5	C6	108.5°	109.4°
O6	C5	H23	109.8°	109.5°
C5	O6	H26	109.5°	114.0°
C3	C5	C6	110.5°	109.5°
C5	C3	H21	108.6°	109.4°
C5	C3	H22	108.6°	109.5°
C3	C5	H23	108.3°	109.5°
C5	C6	O1	113.5°	109.5°
C6	C5	H23	108.4°	109.4°
C5	C6	H24	108.4°	109.5°
C5	C6	H25	108.5°	109.5°
O1	C6	H24	108.5°	109.4°
O1	C6	H25	108.5°	109.5°
C6	O1	H27	109.5°	114.0°
H	N	H2	109.4°	111.0°
H5	CB	H6	109.5°	109.4°
H7	CG	H8	109.5°	109.5°
H9	CD	H10	109.4°	109.5°
H11	CE	H12	109.4°	109.5°
H13	C1	H14	109.5°	109.5°
H13	C1	H15	109.4°	109.4°
H14	C1	H15	109.5°	109.5°
H18	C	OXT	90.6°	109.5°
H21	C3	H22	109.4°	109.4°
H24	C6	H25	109.5°	109.5°
C	OXT	HXT	90.0°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	CA	CB	CG	40.9°	65.0°
N	CA	C	O	55.2°	180.0°
N	CA	CB	C	122.8°	120.0°
N	CA	CB	HA	119.3°	120.0°
N	CA	C	HA	119.0°	120.0°
CA	N	H	H2	120.0°	123.9°
N	CA	CB	H5	162.1°	55.0°
N	CA	CB	H6	80.3°	175.0°
N	CA	C	H18	178.9°	60.0°
N	CA	C	OXT	109.1°	60.0°
CD	CG	CB	H7	120.5°	120.0°
CD	CG	CB	H8	120.4°	120.0°
CG	CD	CE	H9	120.2°	120.0°
CG	CD	CE	H10	120.2°	120.0°
CD	CG	CB	CA	174.9°	180.0°
CG	CD	CE	NZ	179.3°	180.0°
CD	CG	CB	H5	63.9°	60.0°
CD	CG	CB	H6	53.8°	60.0°
CD	CG	H7	H8	118.6°	120.0°
CG	CD	H9	H10	119.4°	120.0°
CG	CD	CE	H11	59.0°	60.0°
CG	CD	CE	H12	60.3°	60.0°
CB	CG	CD	CE	61.4°	180.0°
CG	CB	CA	H5	121.2°	120.0°
CG	CB	CA	H6	121.2°	120.0°
CG	CB	CA	C	163.7°	175.0°
CG	CB	CA	HA	78.4°	55.0°
CG	CB	H5	H6	116.3°	119.9°
CB	CG	H7	H8	118.6°	120.0°
CB	CG	CD	H9	178.4°	60.0°
CB	CG	CD	H10	58.9°	60.0°
O	C	CA	CB	67.9°	60.0°
O	C	CA	H18	126.0°	120.0°
O	C	CA	OXT	164.3°	120.0°
O	C	CA	HA	174.2°	60.0°
O	C	H18	OXT	166.8°	120.0°
O	C	OXT	HXT	90.0°	60.0°
CD	CE	NZ	H11	120.4°	120.0°
CD	CE	NZ	H12	120.4°	119.9°
CD	CE	NZ	CH	133.8°	114.8°
CE	CD	CG	H7	178.2°	60.0°
CE	CD	CG	H8	59.1°	60.0°
CE	CD	H9	H10	119.4°	120.0°
CD	CE	H11	H12	118.9°	120.0°
CB	CA	C	HA	117.9°	120.0°
CB	CA	N	H	180.0°	60.0°
CB	CA	N	H2	60.0°	63.9°
CA	CB	H5	H6	116.2°	120.0°
CA	CB	CG	H7	54.5°	60.0°
CA	CB	CG	H8	64.6°	60.0°
CB	CA	C	H18	58.1°	60.0°
CB	CA	C	OXT	127.9°	180.0°
C	CA	N	H	57.6°	60.0°
C	CA	N	H2	62.4°	176.1°
C	CA	CB	H5	75.1°	65.0°
C	CA	CB	H6	42.5°	55.0°
CA	C	H18	OXT	39.2°	120.0°
CA	C	O	H20	180.0°	59.9°
CA	C	OXT	HXT	90.0°	179.9°
O4	C2	CH	NZ	89.0°	115.1°
O4	C2	CH	C3	120.7°	120.0°
O4	C2	CH	H16	116.8°	120.0°
O4	C2	CH	C1	88.6°	65.0°
O4	C2	C3	H16	121.1°	120.0°
O4	C2	C3	C5	99.3°	65.0°
O4	C2	C3	H21	140.1°	175.0°
O4	C2	C3	H22	21.2°	55.0°
CE	NZ	CH	C2	178.5°	173.7°
CE	NZ	CH	C1	3.8°	6.4°
NZ	CE	CD	H9	60.5°	60.0°
NZ	CE	CD	H10	59.1°	60.0°
NZ	CE	H11	H12	118.8°	120.0°
NZ	CH	C2	C1	177.7°	179.9°
NZ	CH	C2	C3	150.2°	125.0°
CH	NZ	CE	H11	105.9°	5.2°
CH	NZ	CE	H12	13.4°	125.3°
NZ	CH	C1	H13	180.0°	85.2°
NZ	CH	C1	H14	60.0°	154.8°
NZ	CH	C1	H15	60.0°	34.8°
NZ	CH	C2	H16	27.7°	4.9°
CH	C2	C3	H16	122.8°	120.0°
CH	C2	C3	C5	144.6°	175.0°
C2	CH	C1	H13	2.4°	94.9°
C2	CH	C1	H14	122.4°	25.1°
C2	CH	C1	H15	117.6°	145.1°
CH	C2	O4	H17	180.0°	60.0°
CH	C2	C3	H21	24.0°	55.0°
CH	C2	C3	H22	94.9°	65.0°
C1	CH	C2	C3	32.1°	54.9°
CH	C1	H13	H14	120.0°	120.0°
CH	C1	H13	H15	120.0°	120.0°
CH	C1	H14	H15	120.0°	120.0°
C1	CH	C2	H16	154.6°	175.0°
C2	C3	C5	O6	65.5°	65.0°
C2	C3	C5	H21	120.5°	120.0°
C2	C3	C5	H22	120.5°	120.1°
C2	C3	C5	C6	173.9°	175.0°
C3	C2	O4	H17	56.2°	60.0°
C2	C3	H21	H22	118.4°	120.0°
C2	C3	C5	H23	55.3°	55.0°
O6	C5	C3	C6	120.6°	120.0°
O6	C5	C3	H23	120.8°	120.0°
O6	C5	C6	H23	119.1°	120.0°
O6	C5	C6	O1	24.0°	65.0°
O6	C5	C3	H21	174.0°	175.0°
O6	C5	C3	H22	55.1°	55.0°
O6	C5	C6	H24	144.6°	175.0°
O6	C5	C6	H25	96.6°	55.0°
C3	C5	C6	H23	118.5°	120.0°
C3	C5	C6	O1	146.3°	175.0°
C5	C3	C2	H16	21.7°	55.0°
C5	C3	H21	H22	118.4°	120.0°
C3	C5	C6	H24	93.0°	55.0°
C3	C5	C6	H25	25.7°	65.0°
C3	C5	O6	H26	180.0°	60.0°
C5	C6	O1	H24	120.6°	120.0°
C5	C6	O1	H25	120.6°	120.0°
C6	C5	C3	H21	53.4°	55.0°
C6	C5	C3	H22	65.6°	64.9°
C5	C6	H24	H25	118.2°	120.0°
C6	C5	O6	H26	58.2°	60.0°
C5	C6	O1	H27	180.0°	180.0°
O1	C6	C5	H23	95.1°	55.0°
O1	C6	H24	H25	118.2°	120.0°
H	N	CA	HA	61.0°	180.0°
H2	N	CA	HA	179.0°	56.0°
HA	CA	CB	H5	42.8°	175.0°
HA	CA	CB	H6	160.4°	65.0°
HA	CA	C	H18	59.8°	180.0°
HA	CA	C	OXT	9.9°	60.0°
H5	CB	CG	H7	175.6°	180.0°
H5	CB	CG	H8	56.6°	60.1°
H6	CB	CG	H7	66.7°	60.0°
H6	CB	CG	H8	174.2°	180.0°
H7	CG	CD	H9	57.9°	180.0°
H7	CG	CD	H10	61.6°	60.0°
H8	CG	CD	H9	61.1°	60.0°
H8	CG	CD	H10	179.3°	180.0°
H9	CD	CE	H11	179.2°	NaN°
H9	CD	CE	H12	59.9°	60.0°
H10	CD	CE	H11	61.3°	60.0°
H10	CD	CE	H12	179.5°	NaN°
H13	C1	H14	H15	120.0°	120.0°
H16	C2	O4	H17	63.9°	180.0°
H16	C2	C3	H21	98.8°	65.0°
H16	C2	C3	H22	142.2°	175.0°
H18	C	O	H20	56.0°	179.9°
H18	C	OXT	HXT	90.0°	60.1°
H20	O	C	OXT	155.4°	60.0°
H21	C3	C5	H23	65.2°	65.0°
H22	C3	C5	H23	175.8°	175.1°
H23	C5	C6	H24	25.5°	65.0°
H23	C5	C6	H25	144.3°	175.0°
H23	C5	O6	H26	60.1°	180.0°
H24	C6	O1	H27	59.4°	60.0°
H25	C6	O1	H27	59.4°	60.0°

Release date:	2023-02-08
Definition date:	2022-02-08
Last modified:	2023-11-03
Release status:	REL
Processing site:	PDBE
Derived from:	7QXF