5IH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAC	CAX	doub	1.22Å	1.23Å
CAA	CAV	sing	1.51Å	1.47Å
CAX	CAV	sing	1.41Å	1.42Å
CAX	OAS	sing	1.34Å	1.47Å
CAV	CAW	doub	1.36Å	1.39Å
OAS	CAY	sing	1.35Å	1.43Å
CAW	CAB	sing	1.51Å	1.37Å
CAW	CAZ	sing	1.46Å	1.47Å
CAY	CAZ	doub	1.41Å	1.40Å	Aromatic
CAY	CAK	sing	1.39Å	1.41Å	Aromatic
CAZ	CAJ	sing	1.40Å	1.40Å	Aromatic
CAK	CAU	doub	1.39Å	1.41Å	Aromatic
CAJ	CAI	doub	1.36Å	1.41Å	Aromatic
CAU	CAI	sing	1.39Å	1.38Å	Aromatic
CAU	OAR	sing	1.36Å	1.43Å
OAR	CAO	sing	1.43Å	1.44Å
CAO	CBA	sing	1.53Å	1.54Å
CBA	CAM	sing	1.53Å	1.51Å
CBA	CAQ	sing	1.53Å	1.54Å
CAM	CAL	sing	1.53Å	1.50Å
CAL	CAN	sing	1.53Å	1.53Å
CAQ	NBB	sing	1.47Å	1.49Å
NBB	CAN	sing	1.47Å	1.49Å
CAB	H1	sing	1.09Å	1.10Å
CAB	H2	sing	1.09Å	1.10Å
CAB	H3	sing	1.09Å	1.10Å
CAA	H4	sing	1.09Å	1.10Å
CAA	H5	sing	1.09Å	1.10Å
CAA	H6	sing	1.09Å	1.10Å
CAK	H7	sing	1.08Å	1.08Å
CAJ	H8	sing	1.08Å	1.08Å
CAI	H9	sing	1.08Å	1.08Å
CAO	H10	sing	1.09Å	1.10Å
CAO	H11	sing	1.09Å	1.10Å
CBA	H12	sing	1.09Å	1.10Å
CAQ	H13	sing	1.09Å	1.10Å
CAQ	H14	sing	1.09Å	1.10Å
CAM	H15	sing	1.09Å	1.10Å
CAM	H16	sing	1.09Å	1.10Å
CAL	H17	sing	1.09Å	1.10Å
CAL	H18	sing	1.09Å	1.10Å
CAN	H19	sing	1.09Å	1.10Å
CAN	H20	sing	1.09Å	1.10Å
NBB	H21	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAC	CAX	CAV	119.5°	119.2°
OAC	CAX	OAS	118.6°	119.2°
CAA	CAV	CAX	120.5°	120.1°
CAA	CAV	CAW	121.8°	120.1°
CAV	CAA	H4	109.5°	109.5°
CAV	CAA	H5	109.5°	109.5°
CAV	CAA	H6	109.5°	109.4°
CAV	CAX	OAS	121.9°	121.7°
CAX	CAV	CAW	117.7°	119.8°
CAX	OAS	CAY	118.5°	121.5°
CAV	CAW	CAB	117.7°	120.9°
CAV	CAW	CAZ	121.9°	118.2°
OAS	CAY	CAZ	119.8°	119.8°
OAS	CAY	CAK	119.5°	120.8°
CAB	CAW	CAZ	120.3°	120.9°
CAW	CAB	H1	109.5°	109.5°
CAW	CAB	H2	109.5°	109.4°
CAW	CAB	H3	109.5°	109.4°
CAW	CAZ	CAY	120.2°	119.0°
CAW	CAZ	CAJ	122.4°	121.0°
CAZ	CAY	CAK	120.6°	119.4°
CAY	CAZ	CAJ	117.4°	120.0°
CAY	CAK	CAU	121.5°	119.8°
CAY	CAK	H7	119.2°	120.1°
CAZ	CAJ	CAI	121.7°	119.8°
CAZ	CAJ	H8	119.1°	120.1°
CAK	CAU	CAI	117.5°	120.5°
CAK	CAU	OAR	123.0°	119.7°
CAU	CAK	H7	119.2°	120.1°
CAJ	CAI	CAU	121.2°	120.4°
CAI	CAJ	H8	119.1°	120.1°
CAJ	CAI	H9	119.4°	119.8°
CAI	CAU	OAR	119.5°	119.7°
CAU	CAI	H9	119.4°	119.8°
CAU	OAR	CAO	128.1°	117.0°
OAR	CAO	CBA	110.9°	109.5°
OAR	CAO	H10	109.1°	109.5°
OAR	CAO	H11	109.1°	109.5°
CAO	CBA	CAM	110.6°	109.5°
CAO	CBA	CAQ	110.3°	109.5°
CBA	CAO	H10	109.1°	109.5°
CBA	CAO	H11	109.1°	109.5°
CAO	CBA	H12	107.3°	109.5°
CAM	CBA	CAQ	113.3°	109.3°
CBA	CAM	CAL	107.7°	109.2°
CAM	CBA	H12	107.7°	109.4°
CBA	CAM	H15	109.9°	109.6°
CBA	CAM	H16	109.9°	109.5°
CBA	CAQ	NBB	114.0°	109.5°
CAQ	CBA	H12	107.4°	109.6°
CBA	CAQ	H13	108.3°	109.5°
CBA	CAQ	H14	108.3°	109.5°
CAM	CAL	CAN	104.5°	109.3°
CAL	CAM	H15	109.9°	109.5°
CAL	CAM	H16	109.9°	109.5°
CAM	CAL	H17	110.7°	109.5°
CAM	CAL	H18	110.7°	109.5°
CAL	CAN	NBB	112.7°	109.5°
CAN	CAL	H17	110.7°	109.5°
CAN	CAL	H18	110.7°	109.5°
CAL	CAN	H19	108.7°	109.5°
CAL	CAN	H20	108.7°	109.5°
CAQ	NBB	CAN	117.2°	111.2°
NBB	CAQ	H13	108.3°	109.4°
NBB	CAQ	H14	108.3°	109.5°
CAQ	NBB	H21	107.5°	111.0°
NBB	CAN	H19	108.7°	109.5°
NBB	CAN	H20	108.7°	109.5°
CAN	NBB	H21	107.5°	111.0°
H1	CAB	H2	109.4°	109.5°
H1	CAB	H3	109.5°	109.6°
H2	CAB	H3	109.4°	109.5°
H4	CAA	H5	109.5°	109.5°
H4	CAA	H6	109.5°	109.5°
H5	CAA	H6	109.4°	109.5°
H10	CAO	H11	109.4°	109.5°
H13	CAQ	H14	109.5°	109.4°
H15	CAM	H16	109.5°	109.5°
H17	CAL	H18	109.5°	109.6°
H19	CAN	H20	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAC	CAX	CAV	CAA	0.6°	0.0°
OAC	CAX	CAV	OAS	179.7°	180.0°
OAC	CAX	CAV	CAW	178.7°	180.0°
OAC	CAX	OAS	CAY	179.5°	180.0°
CAA	CAV	CAX	CAW	179.3°	180.0°
CAA	CAV	CAX	OAS	179.7°	180.0°
CAA	CAV	CAW	CAB	0.4°	0.0°
CAA	CAV	CAW	CAZ	178.2°	179.7°
CAV	CAA	H4	H5	120.0°	120.0°
CAV	CAA	H4	H6	120.0°	120.0°
CAV	CAA	H5	H6	120.0°	120.0°
CAV	CAX	OAS	CAY	0.8°	0.0°
CAX	CAV	CAW	CAB	179.7°	180.0°
CAX	CAV	CAW	CAZ	2.5°	0.3°
CAX	CAV	CAA	H4	180.0°	90.0°
CAX	CAV	CAA	H5	60.0°	30.0°
CAX	CAV	CAA	H6	60.0°	150.0°
OAS	CAX	CAV	CAW	1.0°	0.0°
CAX	OAS	CAY	CAZ	1.1°	0.3°
CAX	OAS	CAY	CAK	178.3°	180.0°
CAV	CAW	CAB	CAZ	177.8°	179.7°
CAV	CAW	CAZ	CAY	2.3°	0.5°
CAV	CAW	CAZ	CAJ	178.1°	179.7°
CAV	CAW	CAB	H1	180.0°	89.7°
CAV	CAW	CAB	H2	60.0°	30.3°
CAV	CAW	CAB	H3	60.0°	150.2°
CAW	CAV	CAA	H4	0.7°	90.0°
CAW	CAV	CAA	H5	120.8°	150.0°
CAW	CAV	CAA	H6	119.3°	30.0°
OAS	CAY	CAZ	CAW	0.4°	0.6°
OAS	CAY	CAZ	CAK	179.3°	179.7°
OAS	CAY	CAZ	CAJ	180.0°	179.7°
OAS	CAY	CAK	CAU	179.3°	180.0°
OAS	CAY	CAK	H7	0.7°	0.1°
CAB	CAW	CAZ	CAY	179.9°	179.8°
CAB	CAW	CAZ	CAJ	0.4°	0.0°
CAW	CAB	H1	H2	120.0°	120.0°
CAW	CAB	H1	H3	120.0°	120.0°
CAW	CAB	H2	H3	120.0°	119.9°
CAW	CAZ	CAY	CAJ	179.6°	179.7°
CAW	CAZ	CAY	CAK	179.7°	179.8°
CAW	CAZ	CAJ	CAI	179.3°	180.0°
CAZ	CAW	CAB	H1	2.2°	90.1°
CAZ	CAW	CAB	H2	117.8°	150.0°
CAZ	CAW	CAB	H3	122.2°	30.1°
CAW	CAZ	CAJ	H8	0.7°	0.1°
CAZ	CAY	CAK	CAU	0.1°	0.3°
CAY	CAZ	CAJ	CAI	1.1°	0.3°
CAZ	CAY	CAK	H7	179.9°	179.8°
CAY	CAZ	CAJ	H8	178.9°	179.8°
CAK	CAY	CAZ	CAJ	0.7°	0.0°
CAY	CAK	CAU	H7	180.0°	179.9°
CAY	CAK	CAU	CAI	0.3°	0.9°
CAY	CAK	CAU	OAR	179.2°	180.0°
CAZ	CAJ	CAI	H8	180.0°	179.9°
CAZ	CAJ	CAI	CAU	0.9°	0.8°
CAZ	CAJ	CAI	H9	179.1°	180.0°
CAK	CAU	CAI	CAJ	0.2°	1.1°
CAK	CAU	CAI	OAR	179.6°	179.1°
CAK	CAU	OAR	CAO	9.4°	179.9°
CAK	CAU	CAI	H9	179.9°	179.7°
CAJ	CAI	CAU	H9	180.0°	179.2°
CAJ	CAI	CAU	OAR	179.7°	179.7°
CAI	CAU	OAR	CAO	171.1°	0.8°
CAI	CAU	CAK	H7	179.7°	179.2°
CAU	CAI	CAJ	H8	179.1°	179.2°
CAU	OAR	CAO	CBA	145.8°	180.0°
OAR	CAU	CAK	H7	0.8°	0.1°
OAR	CAU	CAI	H9	0.3°	0.5°
CAU	OAR	CAO	H10	93.9°	60.0°
CAU	OAR	CAO	H11	25.6°	60.0°
OAR	CAO	CBA	H10	120.2°	120.0°
OAR	CAO	CBA	H11	120.2°	120.0°
OAR	CAO	CBA	CAM	18.2°	175.0°
OAR	CAO	CBA	CAQ	144.3°	65.2°
OAR	CAO	H10	H11	119.3°	120.0°
OAR	CAO	CBA	H12	99.0°	55.0°
CAO	CBA	CAM	CAQ	124.4°	120.0°
CAO	CBA	CAM	H12	117.0°	120.1°
CAO	CBA	CAQ	H12	116.7°	120.1°
CAO	CBA	CAM	CAL	175.8°	177.6°
CAO	CBA	CAQ	NBB	162.4°	179.1°
CBA	CAO	H10	H11	119.4°	120.0°
CAO	CBA	CAQ	H13	41.8°	59.1°
CAO	CBA	CAQ	H14	76.9°	60.8°
CAO	CBA	CAM	H15	56.1°	62.5°
CAO	CBA	CAM	H16	64.5°	57.7°
CAM	CBA	CAQ	H12	118.8°	119.9°
CBA	CAM	CAL	H15	119.7°	120.0°
CBA	CAM	CAL	H16	119.7°	119.9°
CBA	CAM	CAL	CAN	70.2°	57.6°
CAM	CBA	CAQ	NBB	37.9°	59.1°
CAM	CBA	CAO	H10	102.0°	55.0°
CAM	CBA	CAO	H11	138.4°	65.0°
CAM	CBA	CAQ	H13	82.8°	60.8°
CAM	CBA	CAQ	H14	158.5°	179.2°
CBA	CAM	H15	H16	120.8°	120.2°
CBA	CAM	CAL	H17	49.0°	62.3°
CBA	CAM	CAL	H18	170.6°	177.5°
CAQ	CBA	CAM	CAL	59.8°	57.6°
CBA	CAQ	NBB	H13	120.6°	120.0°
CBA	CAQ	NBB	H14	120.7°	120.0°
CBA	CAQ	NBB	CAN	29.9°	61.7°
CAQ	CBA	CAO	H10	24.1°	174.8°
CAQ	CBA	CAO	H11	95.5°	54.8°
CBA	CAQ	H13	H14	118.0°	120.0°
CAQ	CBA	CAM	H15	179.5°	177.6°
CAQ	CBA	CAM	H16	60.0°	62.3°
CBA	CAQ	NBB	H21	151.0°	174.2°
CAM	CAL	CAN	H17	119.2°	119.9°
CAM	CAL	CAN	H18	119.2°	119.9°
CAM	CAL	CAN	NBB	62.8°	59.2°
CAL	CAM	CBA	H12	58.8°	62.3°
CAL	CAM	H15	H16	120.8°	120.1°
CAM	CAL	H17	H18	122.3°	120.1°
CAM	CAL	CAN	H19	176.7°	179.2°
CAM	CAL	CAN	H20	57.7°	60.8°
CAL	CAN	NBB	CAQ	43.7°	61.7°
CAL	CAN	NBB	H19	120.5°	120.0°
CAL	CAN	NBB	H20	120.5°	120.0°
CAN	CAL	CAM	H15	170.1°	177.6°
CAN	CAL	CAM	H16	49.5°	62.3°
CAN	CAL	H17	H18	122.3°	120.1°
CAL	CAN	H19	H20	118.5°	120.0°
CAL	CAN	NBB	H21	164.8°	174.2°
CAQ	NBB	CAN	H21	121.1°	124.1°
NBB	CAQ	CBA	H12	80.9°	60.8°
NBB	CAQ	H13	H14	118.0°	119.9°
CAQ	NBB	CAN	H19	164.2°	178.2°
CAQ	NBB	CAN	H20	76.8°	58.3°
CAN	NBB	CAQ	H13	90.8°	58.3°
CAN	NBB	CAQ	H14	150.5°	178.2°
NBB	CAN	CAL	H17	56.4°	60.7°
NBB	CAN	CAL	H18	178.0°	179.1°
NBB	CAN	H19	H20	118.5°	120.0°
H1	CAB	H2	H3	120.0°	120.1°
H4	CAA	H5	H6	120.0°	120.0°
H8	CAJ	CAI	H9	0.9°	0.1°
H10	CAO	CBA	H12	140.8°	65.1°
H11	CAO	CBA	H12	21.2°	175.0°
H12	CBA	CAQ	H13	158.5°	179.3°
H12	CBA	CAQ	H14	39.8°	59.3°
H12	CBA	CAM	H15	60.9°	57.6°
H12	CBA	CAM	H16	178.5°	177.8°
H13	CAQ	NBB	H21	30.3°	65.8°
H14	CAQ	NBB	H21	88.4°	54.1°
H15	CAM	CAL	H17	70.7°	57.7°
H15	CAM	CAL	H18	50.9°	62.5°
H16	CAM	CAL	H17	168.7°	177.8°
H16	CAM	CAL	H18	69.7°	57.6°
H17	CAL	CAN	H19	64.1°	59.3°
H17	CAL	CAN	H20	176.9°	179.2°
H18	CAL	CAN	H19	57.5°	60.9°
H18	CAL	CAN	H20	61.5°	59.1°
H19	CAN	NBB	H21	74.7°	54.1°
H20	CAN	NBB	H21	44.3°	65.8°

Release date:	2022-05-18
Definition date:	2021-07-12
Last modified:	2022-05-13
Release status:	REL
Processing site:	PDBE
Derived from:	7P4H