5IK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAB	CBB	doub	1.22Å	0.00Å
CBB	CAO	sing	1.41Å	0.00Å
CBB	OAV	sing	1.34Å	0.00Å
CAO	CBA	doub	1.36Å	0.00Å
OAC	CAQ	sing	1.43Å	0.00Å
OAV	CBC	sing	1.35Å	0.00Å
CBA	CAQ	sing	1.51Å	0.00Å
CBA	CBD	sing	1.46Å	0.00Å
CBC	CBD	doub	1.41Å	0.00Å	Aromatic
CBC	CAP	sing	1.39Å	0.00Å	Aromatic
CBD	CAN	sing	1.40Å	0.00Å	Aromatic
CAP	CAZ	doub	1.38Å	0.00Å	Aromatic
CAN	CAM	doub	1.36Å	0.00Å	Aromatic
CAZ	CAM	sing	1.39Å	0.00Å	Aromatic
CAZ	OAU	sing	1.36Å	0.00Å
CAR	OAU	sing	1.43Å	0.00Å
CAR	CAW	sing	1.51Å	0.00Å
CAW	CAJ	doub	1.38Å	0.00Å	Aromatic
CAW	CAI	sing	1.38Å	0.00Å	Aromatic
CAJ	CAL	sing	1.38Å	0.00Å	Aromatic
CAI	CAK	doub	1.38Å	0.00Å	Aromatic
CAL	CAY	doub	1.38Å	0.00Å	Aromatic
CAK	CAY	sing	1.38Å	0.00Å	Aromatic
CAA	NBE	sing	1.47Å	0.00Å
CAY	CAT	sing	1.51Å	0.00Å
CAT	NBE	sing	1.47Å	0.00Å
NBE	CAS	sing	1.47Å	0.00Å
CAS	CAX	sing	1.51Å	0.00Å
CAH	CAX	doub	1.38Å	0.00Å	Aromatic
CAH	CAF	sing	1.38Å	0.00Å	Aromatic
CAX	CAG	sing	1.38Å	0.00Å	Aromatic
CAF	CAD	doub	1.38Å	0.00Å	Aromatic
CAG	CAE	doub	1.38Å	0.00Å	Aromatic
CAD	CAE	sing	1.38Å	0.00Å	Aromatic
CAG	H1	sing	1.08Å	0.00Å
CAE	H2	sing	1.08Å	0.00Å
CAD	H3	sing	1.08Å	0.00Å
CAF	H4	sing	1.08Å	0.00Å
CAH	H5	sing	1.08Å	0.00Å
CAS	H6	sing	1.09Å	0.00Å
CAS	H7	sing	1.09Å	0.00Å
CAA	H9	sing	1.09Å	0.00Å
CAA	H10	sing	1.09Å	0.00Å
CAA	H11	sing	1.09Å	0.00Å
CAT	H12	sing	1.09Å	0.00Å
CAT	H13	sing	1.09Å	0.00Å
CAL	H14	sing	1.08Å	0.00Å
CAJ	H15	sing	1.08Å	0.00Å
CAK	H16	sing	1.08Å	0.00Å
CAI	H17	sing	1.08Å	0.00Å
CAR	H18	sing	1.09Å	0.00Å
CAR	H19	sing	1.09Å	0.00Å
CAP	H20	sing	1.08Å	0.00Å
CAM	H21	sing	1.08Å	0.00Å
CAN	H22	sing	1.08Å	0.00Å
CAO	H23	sing	1.08Å	0.00Å
CAQ	H24	sing	1.09Å	0.00Å
CAQ	H25	sing	1.09Å	0.00Å
OAC	H26	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAB	CBB	CAO	90.0°	119.2°
OAB	CBB	OAV	90.0°	119.1°
CAO	CBB	OAV	90.0°	121.7°
CBB	CAO	CBA	90.0°	119.8°
CBB	CAO	H23	90.0°	120.1°
CBB	OAV	CBC	90.0°	121.5°
CAO	CBA	CAQ	90.0°	120.9°
CAO	CBA	CBD	90.0°	118.1°
CBA	CAO	H23	90.0°	120.1°
OAC	CAQ	CBA	90.0°	109.5°
OAC	CAQ	H24	90.0°	109.5°
OAC	CAQ	H25	90.0°	109.4°
CAQ	OAC	H26	90.0°	114.1°
OAV	CBC	CBD	90.0°	119.9°
OAV	CBC	CAP	90.0°	120.7°
CAQ	CBA	CBD	90.0°	120.9°
CBA	CAQ	H24	90.0°	109.5°
CBA	CAQ	H25	90.0°	109.5°
CBA	CBD	CBC	90.0°	119.0°
CBA	CBD	CAN	90.0°	120.9°
CBD	CBC	CAP	90.0°	119.4°
CBC	CBD	CAN	90.0°	120.0°
CBC	CAP	CAZ	90.0°	119.8°
CBC	CAP	H20	90.0°	120.1°
CBD	CAN	CAM	90.0°	119.8°
CBD	CAN	H22	90.0°	120.2°
CAP	CAZ	CAM	90.0°	120.5°
CAP	CAZ	OAU	90.0°	119.8°
CAZ	CAP	H20	90.0°	120.1°
CAN	CAM	CAZ	90.0°	120.4°
CAN	CAM	H21	90.0°	119.8°
CAM	CAN	H22	90.0°	120.1°
CAM	CAZ	OAU	90.0°	119.7°
CAZ	CAM	H21	90.0°	119.8°
CAZ	OAU	CAR	90.0°	117.0°
OAU	CAR	CAW	90.0°	109.5°
OAU	CAR	H18	90.0°	109.5°
OAU	CAR	H19	90.0°	109.5°
CAR	CAW	CAJ	90.0°	120.0°
CAR	CAW	CAI	90.0°	120.0°
CAW	CAR	H18	90.0°	109.5°
CAW	CAR	H19	90.0°	109.4°
CAJ	CAW	CAI	90.0°	120.0°
CAW	CAJ	CAL	90.0°	120.0°
CAW	CAJ	H15	90.0°	120.0°
CAW	CAI	CAK	90.0°	120.0°
CAW	CAI	H17	90.0°	120.1°
CAJ	CAL	CAY	90.0°	120.0°
CAJ	CAL	H14	90.0°	120.0°
CAL	CAJ	H15	90.0°	120.0°
CAI	CAK	CAY	90.0°	120.0°
CAI	CAK	H16	90.0°	120.0°
CAK	CAI	H17	90.0°	119.9°
CAL	CAY	CAK	90.0°	120.0°
CAL	CAY	CAT	90.0°	120.0°
CAY	CAL	H14	90.0°	120.0°
CAK	CAY	CAT	90.0°	120.0°
CAY	CAK	H16	90.0°	120.0°
CAA	NBE	CAT	90.0°	111.0°
CAA	NBE	CAS	90.0°	111.0°
NBE	CAA	H9	90.0°	109.5°
NBE	CAA	H10	90.0°	109.4°
NBE	CAA	H11	90.0°	109.4°
CAY	CAT	NBE	90.0°	109.5°
CAY	CAT	H12	90.0°	109.5°
CAY	CAT	H13	90.0°	109.5°
CAT	NBE	CAS	90.0°	111.0°
NBE	CAT	H12	90.0°	109.5°
NBE	CAT	H13	90.0°	109.4°
NBE	CAS	CAX	90.0°	109.5°
NBE	CAS	H6	90.0°	109.5°
NBE	CAS	H7	90.0°	109.5°
CAS	CAX	CAH	90.0°	120.0°
CAS	CAX	CAG	90.0°	120.0°
CAX	CAS	H6	90.0°	109.4°
CAX	CAS	H7	90.0°	109.5°
CAX	CAH	CAF	90.0°	120.0°
CAH	CAX	CAG	90.0°	120.0°
CAX	CAH	H5	90.0°	120.0°
CAH	CAF	CAD	90.0°	120.0°
CAH	CAF	H4	90.0°	120.0°
CAF	CAH	H5	90.0°	120.0°
CAX	CAG	CAE	90.0°	120.0°
CAX	CAG	H1	90.0°	120.1°
CAF	CAD	CAE	90.0°	120.0°
CAF	CAD	H3	90.0°	120.1°
CAD	CAF	H4	90.0°	119.9°
CAG	CAE	CAD	90.0°	120.0°
CAE	CAG	H1	90.0°	120.0°
CAG	CAE	H2	90.0°	120.0°
CAD	CAE	H2	90.0°	120.0°
CAE	CAD	H3	90.0°	120.0°
H6	CAS	H7	90.0°	109.5°
H9	CAA	H10	90.0°	109.5°
H9	CAA	H11	90.0°	109.5°
H10	CAA	H11	90.0°	109.5°
H12	CAT	H13	90.0°	109.5°
H18	CAR	H19	90.0°	109.5°
H24	CAQ	H25	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAB	CBB	CAO	OAV	90.0°	179.5°
OAB	CBB	CAO	CBA	90.0°	180.0°
OAB	CBB	OAV	CBC	90.0°	179.5°
OAB	CBB	CAO	H23	90.0°	0.5°
CBB	CAO	CBA	H23	90.0°	179.5°
CAO	CBB	OAV	CBC	90.0°	0.0°
CBB	CAO	CBA	CAQ	90.0°	180.0°
CBB	CAO	CBA	CBD	90.0°	1.1°
OAV	CBB	CAO	CBA	90.0°	0.5°
CBB	OAV	CBC	CBD	90.0°	0.0°
CBB	OAV	CBC	CAP	90.0°	179.2°
OAV	CBB	CAO	H23	90.0°	180.0°
CAO	CBA	CAQ	OAC	90.0°	0.0°
CAO	CBA	CAQ	CBD	90.0°	178.9°
CAO	CBA	CBD	CBC	90.0°	1.1°
CAO	CBA	CBD	CAN	90.0°	179.5°
CAO	CBA	CAQ	H24	90.0°	120.0°
CAO	CBA	CAQ	H25	90.0°	120.0°
OAC	CAQ	CBA	H24	90.0°	120.0°
OAC	CAQ	CBA	H25	90.0°	120.0°
OAC	CAQ	CBA	CBD	90.0°	178.9°
OAC	CAQ	H24	H25	90.0°	119.9°
OAV	CBC	CBD	CBA	90.0°	0.6°
OAV	CBC	CBD	CAP	90.0°	179.2°
OAV	CBC	CBD	CAN	90.0°	180.0°
OAV	CBC	CAP	CAZ	90.0°	179.7°
OAV	CBC	CAP	H20	90.0°	0.2°
CAQ	CBA	CBD	CBC	90.0°	180.0°
CAQ	CBA	CBD	CAN	90.0°	0.6°
CAQ	CBA	CAO	H23	90.0°	0.6°
CBA	CAQ	H24	H25	90.0°	120.0°
CBA	CAQ	OAC	H26	90.0°	179.9°
CBA	CBD	CBC	CAN	90.0°	179.4°
CBA	CBD	CBC	CAP	90.0°	179.8°
CBA	CBD	CAN	CAM	90.0°	180.0°
CBA	CBD	CAN	H22	90.0°	0.0°
CBD	CBA	CAO	H23	90.0°	179.5°
CBD	CBA	CAQ	H24	90.0°	61.1°
CBD	CBA	CAQ	H25	90.0°	58.9°
CBD	CBC	CAP	CAZ	90.0°	0.5°
CBC	CBD	CAN	CAM	90.0°	0.6°
CBD	CBC	CAP	H20	90.0°	179.4°
CBC	CBD	CAN	H22	90.0°	179.4°
CAP	CBC	CBD	CAN	90.0°	0.8°
CBC	CAP	CAZ	H20	90.0°	180.0°
CBC	CAP	CAZ	CAM	90.0°	0.0°
CBC	CAP	CAZ	OAU	90.0°	179.7°
CBD	CAN	CAM	H22	90.0°	180.0°
CBD	CAN	CAM	CAZ	90.0°	0.1°
CBD	CAN	CAM	H21	90.0°	180.0°
CAP	CAZ	CAM	CAN	90.0°	0.2°
CAP	CAZ	CAM	OAU	90.0°	179.8°
CAP	CAZ	OAU	CAR	90.0°	179.7°
CAP	CAZ	CAM	H21	90.0°	179.7°
CAN	CAM	CAZ	H21	90.0°	179.9°
CAN	CAM	CAZ	OAU	90.0°	180.0°
CAM	CAZ	OAU	CAR	90.0°	0.0°
CAM	CAZ	CAP	H20	90.0°	179.9°
CAZ	CAM	CAN	H22	90.0°	179.9°
CAZ	OAU	CAR	CAW	90.0°	180.0°
CAZ	OAU	CAR	H18	90.0°	60.0°
CAZ	OAU	CAR	H19	90.0°	60.0°
OAU	CAZ	CAP	H20	90.0°	0.3°
OAU	CAZ	CAM	H21	90.0°	0.0°
OAU	CAR	CAW	H18	90.0°	120.0°
OAU	CAR	CAW	H19	90.0°	120.0°
OAU	CAR	CAW	CAJ	90.0°	90.0°
OAU	CAR	CAW	CAI	90.0°	89.7°
OAU	CAR	H18	H19	90.0°	120.0°
CAR	CAW	CAJ	CAI	90.0°	179.7°
CAR	CAW	CAJ	CAL	90.0°	180.0°
CAR	CAW	CAI	CAK	90.0°	179.9°
CAR	CAW	CAJ	H15	90.0°	0.1°
CAR	CAW	CAI	H17	90.0°	0.1°
CAW	CAR	H18	H19	90.0°	120.0°
CAW	CAJ	CAL	H15	90.0°	179.9°
CAJ	CAW	CAI	CAK	90.0°	0.3°
CAW	CAJ	CAL	CAY	90.0°	0.1°
CAW	CAJ	CAL	H14	90.0°	180.0°
CAJ	CAW	CAI	H17	90.0°	179.7°
CAJ	CAW	CAR	H18	90.0°	150.0°
CAJ	CAW	CAR	H19	90.0°	29.9°
CAI	CAW	CAJ	CAL	90.0°	0.3°
CAW	CAI	CAK	H17	90.0°	180.0°
CAW	CAI	CAK	CAY	90.0°	0.1°
CAI	CAW	CAJ	H15	90.0°	179.7°
CAW	CAI	CAK	H16	90.0°	180.0°
CAI	CAW	CAR	H18	90.0°	30.3°
CAI	CAW	CAR	H19	90.0°	150.3°
CAJ	CAL	CAY	H14	90.0°	179.9°
CAJ	CAL	CAY	CAK	90.0°	0.3°
CAJ	CAL	CAY	CAT	90.0°	179.9°
CAI	CAK	CAY	CAL	90.0°	0.3°
CAI	CAK	CAY	H16	90.0°	180.0°
CAI	CAK	CAY	CAT	90.0°	180.0°
CAL	CAY	CAK	CAT	90.0°	179.7°
CAL	CAY	CAT	NBE	90.0°	90.0°
CAL	CAY	CAT	H12	90.0°	30.0°
CAL	CAY	CAT	H13	90.0°	150.0°
CAY	CAL	CAJ	H15	90.0°	180.0°
CAL	CAY	CAK	H16	90.0°	179.7°
CAK	CAY	CAT	NBE	90.0°	90.2°
CAK	CAY	CAT	H12	90.0°	149.7°
CAK	CAY	CAT	H13	90.0°	29.7°
CAK	CAY	CAL	H14	90.0°	179.8°
CAY	CAK	CAI	H17	90.0°	179.9°
CAA	NBE	CAT	CAY	90.0°	66.1°
CAA	NBE	CAT	CAS	90.0°	123.9°
CAA	NBE	CAS	CAX	90.0°	66.0°
CAA	NBE	CAS	H6	90.0°	53.9°
CAA	NBE	CAS	H7	90.0°	173.9°
NBE	CAA	H9	H10	90.0°	120.0°
NBE	CAA	H9	H11	90.0°	120.0°
NBE	CAA	H10	H11	90.0°	120.0°
CAA	NBE	CAT	H12	90.0°	53.9°
CAA	NBE	CAT	H13	90.0°	173.9°
CAY	CAT	NBE	H12	90.0°	120.1°
CAY	CAT	NBE	H13	90.0°	120.0°
CAY	CAT	NBE	CAS	90.0°	170.0°
CAY	CAT	H12	H13	90.0°	120.0°
CAT	CAY	CAL	H14	90.0°	0.0°
CAT	CAY	CAK	H16	90.0°	0.0°
CAT	NBE	CAS	CAX	90.0°	170.0°
CAT	NBE	CAS	H6	90.0°	70.0°
CAT	NBE	CAS	H7	90.0°	50.0°
CAT	NBE	CAA	H9	90.0°	63.9°
CAT	NBE	CAA	H10	90.0°	56.1°
CAT	NBE	CAA	H11	90.0°	176.1°
NBE	CAT	H12	H13	90.0°	120.0°
NBE	CAS	CAX	H6	90.0°	120.0°
NBE	CAS	CAX	H7	90.0°	120.0°
NBE	CAS	CAX	CAH	90.0°	90.0°
NBE	CAS	CAX	CAG	90.0°	90.6°
NBE	CAS	H6	H7	90.0°	120.0°
CAS	NBE	CAA	H9	90.0°	60.0°
CAS	NBE	CAA	H10	90.0°	180.0°
CAS	NBE	CAA	H11	90.0°	60.0°
CAS	NBE	CAT	H12	90.0°	70.0°
CAS	NBE	CAT	H13	90.0°	50.0°
CAS	CAX	CAH	CAG	90.0°	179.5°
CAS	CAX	CAH	CAF	90.0°	180.0°
CAS	CAX	CAG	CAE	90.0°	180.0°
CAS	CAX	CAG	H1	90.0°	0.3°
CAS	CAX	CAH	H5	90.0°	0.5°
CAX	CAS	H6	H7	90.0°	120.0°
CAX	CAH	CAF	H5	90.0°	179.4°
CAX	CAH	CAF	CAD	90.0°	0.2°
CAH	CAX	CAG	CAE	90.0°	0.5°
CAH	CAX	CAG	H1	90.0°	179.7°
CAX	CAH	CAF	H4	90.0°	179.7°
CAH	CAX	CAS	H6	90.0°	150.0°
CAH	CAX	CAS	H7	90.0°	30.0°
CAF	CAH	CAX	CAG	90.0°	0.5°
CAH	CAF	CAD	H4	90.0°	180.0°
CAH	CAF	CAD	CAE	90.0°	0.1°
CAH	CAF	CAD	H3	90.0°	180.0°
CAX	CAG	CAE	H1	90.0°	179.7°
CAX	CAG	CAE	CAD	90.0°	0.2°
CAX	CAG	CAE	H2	90.0°	179.7°
CAG	CAX	CAH	H5	90.0°	180.0°
CAG	CAX	CAS	H6	90.0°	29.4°
CAG	CAX	CAS	H7	90.0°	149.4°
CAF	CAD	CAE	CAG	90.0°	0.1°
CAF	CAD	CAE	H3	90.0°	179.9°
CAF	CAD	CAE	H2	90.0°	180.0°
CAD	CAF	CAH	H5	90.0°	179.7°
CAG	CAE	CAD	H2	90.0°	179.9°
CAG	CAE	CAD	H3	90.0°	180.0°
CAD	CAE	CAG	H1	90.0°	180.0°
CAE	CAD	CAF	H4	90.0°	180.0°
H1	CAG	CAE	H2	90.0°	0.0°
H2	CAE	CAD	H3	90.0°	0.1°
H3	CAD	CAF	H4	90.0°	0.0°
H4	CAF	CAH	H5	90.0°	0.3°
H9	CAA	H10	H11	90.0°	120.0°
H14	CAL	CAJ	H15	90.0°	0.1°
H16	CAK	CAI	H17	90.0°	0.0°
H21	CAM	CAN	H22	90.0°	0.0°
H24	CAQ	OAC	H26	90.0°	59.9°
H25	CAQ	OAC	H26	90.0°	60.0°

Release date:	2022-04-06
Definition date:	2021-07-12
Last modified:	2022-04-01
Release status:	REL
Processing site:	PDBE