A1CK4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C13	sing	1.53Å	1.51Å
C14	C13	sing	1.53Å	1.51Å
C13	C11	sing	1.53Å	1.52Å
O16	C12	doub	1.21Å	1.27Å
C11	C12	sing	1.51Å	1.50Å
C11	S9	sing	1.81Å	1.76Å
C12	O17	sing	1.34Å	1.25Å
S9	C3	sing	1.76Å	1.78Å
C5	C3	doub	1.39Å	1.38Å	Aromatic
C5	C2	sing	1.38Å	1.40Å	Aromatic
C3	C4	sing	1.39Å	1.38Å	Aromatic
CL8	C2	sing	1.74Å	1.72Å
C2	C1	doub	1.38Å	1.36Å	Aromatic
C4	CL10	sing	1.74Å	1.71Å
C4	C6	doub	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.38Å	1.37Å	Aromatic
C1	CL7	sing	1.74Å	1.73Å
C11	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
O17	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C13	C14	108.4°	109.5°
C15	C13	C11	113.3°	109.4°
C15	C13	H2	107.7°	109.4°
C13	C15	H3	109.5°	109.5°
C13	C15	H4	109.5°	109.4°
C13	C15	H5	109.5°	109.5°
C14	C13	C11	112.0°	109.5°
C14	C13	H2	107.7°	109.5°
C13	C14	H8	109.5°	109.5°
C13	C14	H9	109.5°	109.5°
C13	C14	H10	109.4°	109.5°
C13	C11	C12	111.2°	109.5°
C13	C11	S9	108.1°	109.5°
C13	C11	H1	109.8°	109.5°
C11	C13	H2	107.5°	109.5°
O16	C12	C11	119.1°	120.0°
O16	C12	O17	120.7°	120.0°
C12	C11	S9	110.6°	109.5°
C11	C12	O17	119.9°	120.0°
C12	C11	H1	110.0°	109.5°
C11	S9	C3	109.6°	103.0°
S9	C11	H1	106.9°	109.5°
C12	O17	H11	109.5°	117.0°
S9	C3	C5	123.0°	120.1°
S9	C3	C4	118.9°	120.0°
C3	C5	C2	120.4°	119.9°
C5	C3	C4	118.1°	119.9°
C3	C5	H6	119.8°	120.0°
C5	C2	CL8	122.6°	120.0°
C5	C2	C1	120.6°	120.0°
C2	C5	H6	119.8°	120.1°
C3	C4	CL10	119.4°	120.0°
C3	C4	C6	121.1°	119.9°
CL8	C2	C1	116.8°	120.0°
C2	C1	C6	119.2°	120.1°
C2	C1	CL7	121.8°	119.9°
CL10	C4	C6	119.4°	120.1°
C4	C6	C1	120.7°	120.1°
C4	C6	H7	119.7°	120.0°
C6	C1	CL7	119.0°	119.9°
C1	C6	H7	119.7°	119.9°
H3	C15	H4	109.5°	109.4°
H3	C15	H5	109.5°	109.5°
H4	C15	H5	109.5°	109.5°
H8	C14	H9	109.5°	109.4°
H8	C14	H10	109.5°	109.4°
H9	C14	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C13	C14	C11	125.8°	120.0°
C15	C13	C14	H2	116.2°	120.0°
C15	C13	C11	H2	118.8°	120.0°
C15	C13	C11	C12	46.1°	179.2°
C15	C13	C11	S9	167.7°	60.8°
C15	C13	C11	H1	75.9°	59.2°
C13	C15	H3	H4	120.0°	119.9°
C13	C15	H3	H5	120.0°	120.0°
C13	C15	H4	H5	120.0°	120.0°
C15	C13	C14	H8	180.0°	174.8°
C15	C13	C14	H9	60.0°	54.8°
C15	C13	C14	H10	60.0°	65.2°
C14	C13	C11	H2	118.1°	120.1°
C14	C13	C11	C12	169.2°	59.2°
C14	C13	C11	S9	69.2°	179.2°
C14	C13	C11	H1	47.2°	60.8°
C14	C13	C15	H3	180.0°	59.9°
C14	C13	C15	H4	60.0°	60.0°
C14	C13	C15	H5	60.0°	180.0°
C13	C14	H8	H9	120.0°	120.0°
C13	C14	H8	H10	120.0°	120.0°
C13	C14	H9	H10	120.0°	120.1°
C13	C11	C12	O16	43.4°	122.1°
C13	C11	C12	S9	120.2°	120.0°
C13	C11	C12	H1	121.9°	120.0°
C13	C11	S9	H1	118.1°	120.0°
C13	C11	C12	O17	142.5°	57.8°
C13	C11	S9	C3	146.7°	175.0°
C11	C13	C15	H3	55.0°	60.0°
C11	C13	C15	H4	175.0°	180.0°
C11	C13	C15	H5	65.0°	60.0°
C11	C13	C14	H8	54.2°	65.2°
C11	C13	C14	H9	65.8°	174.8°
C11	C13	C14	H10	174.2°	54.7°
O16	C12	C11	O17	174.1°	179.9°
O16	C12	C11	S9	163.6°	117.9°
O16	C12	C11	H1	78.4°	2.1°
O16	C12	O17	H11	0.0°	0.0°
C12	C11	S9	H1	119.9°	120.0°
C12	C11	S9	C3	91.3°	65.0°
C12	C11	C13	H2	72.7°	60.9°
C11	C12	O17	H11	174.0°	180.0°
S9	C11	C12	O17	22.3°	62.2°
C11	S9	C3	C5	15.6°	0.5°
C11	S9	C3	C4	165.7°	180.0°
S9	C11	C13	H2	48.9°	59.1°
O17	C12	C11	H1	95.7°	177.8°
S9	C3	C5	C4	178.7°	179.5°
S9	C3	C5	C2	179.6°	179.7°
S9	C3	C4	CL10	3.0°	0.5°
S9	C3	C4	C6	179.7°	180.0°
C3	S9	C11	H1	28.5°	55.0°
S9	C3	C5	H6	0.4°	0.2°
C3	C5	C2	H6	180.0°	180.0°
C3	C5	C2	CL8	177.9°	180.0°
C3	C5	C2	C1	0.4°	0.0°
C5	C3	C4	CL10	178.2°	180.0°
C5	C3	C4	C6	0.9°	0.5°
C2	C5	C3	C4	0.9°	0.2°
C5	C2	CL8	C1	178.4°	180.0°
C5	C2	C1	C6	0.1°	0.1°
C5	C2	C1	CL7	179.6°	179.7°
C3	C4	CL10	C6	177.4°	179.6°
C3	C4	C6	C1	0.4°	0.4°
C4	C3	C5	H6	179.1°	179.7°
C3	C4	C6	H7	179.6°	179.5°
CL8	C2	C1	C6	178.5°	179.9°
CL8	C2	C1	CL7	2.0°	0.3°
CL8	C2	C5	H6	2.1°	0.0°
C2	C1	C6	C4	0.1°	0.2°
C2	C1	C6	CL7	179.5°	179.8°
C1	C2	C5	H6	179.6°	180.0°
C2	C1	C6	H7	179.9°	179.7°
CL10	C4	C6	C1	177.8°	180.0°
CL10	C4	C6	H7	2.2°	0.1°
C4	C6	C1	H7	180.0°	179.9°
C4	C6	C1	CL7	179.6°	179.9°
CL7	C1	C6	H7	0.4°	0.0°
H1	C11	C13	H2	165.2°	179.1°
H2	C13	C15	H3	63.8°	180.0°
H2	C13	C15	H4	56.2°	60.0°
H2	C13	C15	H5	176.2°	60.0°
H2	C13	C14	H8	63.8°	54.8°
H2	C13	C14	H9	176.2°	65.1°
H2	C13	C14	H10	56.2°	174.8°
H3	C15	H4	H5	120.0°	120.1°
H8	C14	H9	H10	120.0°	119.9°

Release date:	2025-08-06
Definition date:	2025-07-29
Last modified:	2025-08-01
Release status:	REL
Processing site:	RCSB
Derived from:	7FW0