Summary Geometry PCM/PTM Related PDB entries

F3I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O9	RH3	sing	2.29Å	2.09Å
RH3	O12	sing	1.74Å	2.09Å
RH3	O14	sing	2.45Å	2.09Å
RH3	O10	sing	3.28Å	2.09Å
O12	C1	doub	1.25Å	1.24Å
O15	RH4	sing	2.09Å	2.10Å
RH4	O13	sing	2.26Å	2.04Å
RH4	O11	sing	2.26Å	2.15Å
RH4	O16	sing	2.12Å	2.09Å
O11	C1	sing	1.26Å	1.24Å
C1	C2	sing	1.50Å	1.63Å
C2	H6	sing	0.97Å	1.10Å
C2	H7	sing	0.97Å	1.10Å
C2	H8	sing	0.97Å	1.10Å
O14	H1	sing	0.86Å	0.95Å
O10	H9	sing	0.86Å	0.95Å
O9	H10	sing	0.86Å	0.95Å
O16	H4	sing	0.86Å	0.95Å
O15	H3	sing	0.86Å	0.95Å
O13	H2	sing	0.86Å	0.95Å
RH3	RH4	sing	2.36Å	2.50Å
H5	O9	sing	0.86Å	0.95Å
H11	O10	sing	0.86Å	0.95Å
H12	O13	sing	0.86Å	0.95Å
H13	O14	sing	0.86Å	0.95Å
H14	O15	sing	0.86Å	0.95Å
H15	O16	sing	0.86Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O9	RH3	O12	92.0°	92.0°
O9	RH3	O14	81.8°	87.4°
O9	RH3	O10	171.1°	175.7°
RH3	O9	H10	109.5°	109.5°
O9	RH3	RH4	87.1°	148.7°
RH3	O9	H5	109.5°	109.5°
O12	RH3	O14	171.9°	175.3°
O12	RH3	O10	84.6°	83.7°
RH3	O12	C1	128.5°	92.5°
O12	RH3	RH4	81.0°	114.4°
O14	RH3	O10	100.8°	96.9°
RH3	O14	H1	109.5°	111.2°
O14	RH3	RH4	93.4°	64.9°
RH3	O14	H13	109.5°	109.5°
RH3	O10	H9	109.5°	110.3°
O10	RH3	RH4	84.3°	35.1°
RH3	O10	H11	109.5°	110.1°
O12	C1	O11	124.0°	122.4°
O12	C1	C2	135.6°	119.0°
O15	RH4	O13	177.0°	177.5°
O15	RH4	O11	81.3°	86.8°
O15	RH4	O16	90.3°	89.4°
RH4	O15	H3	109.5°	109.6°
O15	RH4	RH3	90.5°	132.3°
RH4	O15	H14	109.5°	109.4°
O13	RH4	O11	96.4°	95.6°
O13	RH4	O16	91.9°	88.2°
RH4	O13	H2	109.5°	110.4°
O13	RH4	RH3	87.6°	49.4°
RH4	O13	H12	109.4°	109.8°
O11	RH4	O16	171.0°	175.0°
RH4	O11	C1	114.5°	117.7°
O11	RH4	RH3	90.3°	54.9°
RH4	O16	H4	109.5°	110.1°
O16	RH4	RH3	86.4°	130.0°
RH4	O16	H15	109.5°	111.1°
O11	C1	C2	100.3°	118.7°
C1	C2	H6	109.5°	109.7°
C1	C2	H7	109.5°	109.6°
C1	C2	H8	109.5°	109.7°
H6	C2	H7	109.5°	109.3°
H6	C2	H8	109.5°	109.3°
H7	C2	H8	109.5°	109.3°
H1	O14	H13	109.4°	107.4°
H9	O10	H11	109.5°	107.2°
H10	O9	H5	109.5°	107.4°
H4	O16	H15	109.5°	107.5°
H3	O15	H14	109.4°	107.3°
H2	O13	H12	109.5°	107.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O9	RH3	O12	O14	39.7°	83.3°
O9	RH3	O12	O10	171.8°	179.7°
O9	RH3	O12	RH4	86.8°	162.7°
O9	RH3	O14	O10	171.4°	179.9°
O9	RH3	O14	RH4	86.6°	165.0°
O9	RH3	O10	RH4	14.1°	154.9°
O9	RH3	O12	C1	82.5°	130.0°
O9	RH3	RH4	O15	176.3°	58.9°
O9	RH3	RH4	O13	1.4°	118.6°
O9	RH3	RH4	O11	95.0°	102.1°
O9	RH3	RH4	O16	93.4°	79.2°
O9	RH3	O14	H1	180.0°	171.6°
O9	RH3	O10	H9	180.0°	123.1°
RH3	O9	H10	H5	120.0°	118.8°
O9	RH3	O10	H11	60.0°	5.0°
O9	RH3	O14	H13	60.0°	69.8°
O12	RH3	O14	O10	131.2°	96.5°
O12	RH3	O14	RH4	46.4°	81.6°
O12	RH3	O10	RH4	81.5°	151.5°
O12	RH3	RH4	O15	83.8°	86.2°
O12	RH3	RH4	O13	93.8°	96.3°
O12	RH3	RH4	O11	2.5°	43.1°
O12	RH3	RH4	O16	174.1°	135.7°
RH3	O12	C1	O11	14.3°	13.2°
RH3	O12	C1	C2	164.6°	167.3°
O12	RH3	O14	H1	139.8°	88.2°
O12	RH3	O10	H9	112.6°	126.4°
O12	RH3	O9	H10	180.0°	170.8°
O12	RH3	O9	H5	60.0°	53.3°
O12	RH3	O10	H11	7.4°	8.4°
O12	RH3	O14	H13	19.8°	153.2°
O14	RH3	O10	RH4	92.4°	23.8°
O14	RH3	O12	C1	42.8°	46.8°
O14	RH3	RH4	O15	102.1°	88.7°
O14	RH3	RH4	O13	80.2°	88.8°
O14	RH3	RH4	O11	176.6°	131.8°
O14	RH3	RH4	O16	11.8°	49.4°
RH3	O14	H1	H13	120.0°	119.8°
O14	RH3	O10	H9	73.5°	58.2°
O14	RH3	O9	H10	5.2°	13.9°
O14	RH3	O9	H5	114.8°	131.3°
O14	RH3	O10	H11	166.5°	176.3°
O10	RH3	O12	C1	89.3°	50.2°
O10	RH3	RH4	O15	1.6°	117.5°
O10	RH3	RH4	O13	179.2°	65.0°
O10	RH3	RH4	O11	82.9°	74.4°
O10	RH3	RH4	O16	88.7°	104.3°
O10	RH3	O14	H1	8.6°	8.3°
RH3	O10	H9	H11	120.0°	119.8°
O10	RH3	O9	H10	113.1°	167.4°
O10	RH3	O9	H5	6.9°	49.9°
O10	RH3	O14	H13	111.4°	110.3°
O12	C1	O11	RH4	15.7°	61.9°
O12	C1	O11	C2	179.2°	179.6°
O12	C1	C2	H6	0.0°	0.2°
O12	C1	C2	H7	120.0°	120.2°
O12	C1	C2	H8	120.0°	119.8°
C1	O12	RH3	RH4	4.3°	32.7°
O15	RH4	O13	O11	39.3°	164.7°
O15	RH4	O13	O16	137.0°	18.6°
O15	RH4	O13	RH3	50.8°	132.3°
O15	RH4	O11	O16	22.2°	41.5°
O15	RH4	O11	RH3	90.4°	149.5°
O15	RH4	O16	RH3	90.5°	150.4°
O15	RH4	O11	C1	100.1°	154.4°
O15	RH4	O16	H4	180.0°	39.5°
RH4	O15	H3	H14	120.0°	118.7°
O15	RH4	O13	H2	180.0°	17.3°
O15	RH4	O13	H12	60.0°	135.5°
O15	RH4	O16	H15	60.0°	158.4°
O13	RH4	O11	O16	155.8°	139.2°
O13	RH4	O11	RH3	87.6°	29.8°
O13	RH4	O16	RH3	87.5°	28.8°
O13	RH4	O11	C1	77.9°	26.3°
O13	RH4	O16	H4	2.1°	139.7°
O13	RH4	O15	H3	180.0°	1.4°
RH4	O13	H2	H12	120.0°	119.7°
O13	RH4	O15	H14	60.0°	116.0°
O13	RH4	O16	H15	117.9°	20.8°
O11	RH4	O16	RH3	68.5°	168.2°
RH4	O11	C1	C2	163.5°	118.5°
O11	RH4	O16	H4	158.0°	80.9°
O11	RH4	O15	H3	140.5°	166.1°
O11	RH4	O13	H2	140.7°	178.0°
O11	RH4	O13	H12	20.7°	59.8°
O11	RH4	O15	H14	99.5°	48.7°
O11	RH4	O16	H15	38.0°	160.2°
O16	RH4	O11	C1	77.9°	112.9°
RH4	O16	H4	H15	120.0°	121.1°
O16	RH4	O15	H3	42.9°	17.2°
O16	RH4	O13	H2	43.0°	1.3°
O16	RH4	O13	H12	163.0°	116.9°
O16	RH4	O15	H14	77.1°	134.6°
O11	C1	C2	H6	179.1°	179.8°
O11	C1	C2	H7	59.1°	60.2°
O11	C1	C2	H8	60.9°	59.8°
C1	O11	RH4	RH3	9.7°	56.1°
C1	C2	H6	H7	120.0°	120.2°
C1	C2	H6	H8	120.0°	120.2°
C1	C2	H7	H8	120.0°	120.2°
H6	C2	H7	H8	120.0°	119.5°
H1	O14	RH3	RH4	93.4°	6.6°
H9	O10	RH3	RH4	165.9°	82.0°
H10	O9	RH3	RH4	99.1°	40.6°
H4	O16	RH4	RH3	89.5°	110.9°
H3	O15	RH4	RH3	129.3°	132.0°
H2	O13	RH4	RH3	129.3°	149.6°
RH4	RH3	O9	H5	20.9°	158.1°
RH4	RH3	O10	H11	74.1°	159.9°
RH3	RH4	O13	H12	110.7°	92.2°
RH4	RH3	O14	H13	26.6°	125.2°
RH3	RH4	O15	H14	9.3°	14.6°
RH3	RH4	O16	H15	30.4°	8.0°

Release date:	2022-03-16
Definition date:	2022-01-19
Last modified:	2026-09-16
Release status:	REL
Processing site:	PDBE
Derived from:	7QPW