A1CKN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C9	doub	1.21Å	1.26Å
C9	O13	sing	1.34Å	1.24Å
C9	C5	sing	1.51Å	1.53Å
C8	C5	sing	1.53Å	1.51Å
C8	C11	sing	1.53Å	1.53Å
C5	S2	sing	1.81Å	1.79Å
S2	C1	sing	1.76Å	1.77Å
C11	C15	sing	1.53Å	1.51Å
C1	C3	doub	1.39Å	1.38Å	Aromatic
C1	C4	sing	1.39Å	1.39Å	Aromatic
C3	C6	sing	1.38Å	1.41Å	Aromatic
C4	C7	doub	1.38Å	1.42Å	Aromatic
C6	C10	doub	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.53Å	1.53Å
C7	C10	sing	1.38Å	1.40Å	Aromatic
C10	C14	sing	1.51Å	1.48Å
C16	S17	sing	1.81Å	1.77Å
S17	C18	sing	1.76Å	1.76Å
C20	C18	doub	1.39Å	1.41Å	Aromatic
C20	C22	sing	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.39Å	1.39Å	Aromatic
C22	C23	doub	1.38Å	1.38Å	Aromatic
C19	C21	doub	1.38Å	1.40Å	Aromatic
C23	C21	sing	1.38Å	1.40Å	Aromatic
C23	CL24	sing	1.74Å	1.72Å
C11	H1	sing	1.09Å	1.10Å
C15	H2	sing	1.09Å	1.10Å
C16	H3	sing	1.09Å	1.10Å
C16	H4	sing	1.09Å	1.10Å
C19	H5	sing	1.08Å	1.08Å
C20	H6	sing	1.08Å	1.08Å
C21	H7	sing	1.08Å	1.08Å
C22	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
C4	H10	sing	1.08Å	1.08Å
C5	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.08Å	1.08Å
C7	H13	sing	1.08Å	1.08Å
C8	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.09Å	1.10Å
O13	H16	sing	0.97Å	0.95Å
C14	H17	sing	1.09Å	1.10Å
C14	H18	sing	1.09Å	1.10Å
C14	H19	sing	1.09Å	1.10Å
C11	H20	sing	1.09Å	1.10Å
C15	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C9	O13	116.1°	120.0°
O12	C9	C5	125.4°	119.9°
O13	C9	C5	118.5°	120.1°
C9	O13	H16	109.5°	117.1°
C9	C5	C8	114.0°	109.4°
C9	C5	S2	110.0°	109.5°
C9	C5	H11	108.4°	109.5°
C5	C8	C11	114.9°	109.5°
C8	C5	S2	109.8°	109.4°
C8	C5	H11	108.7°	109.4°
C5	C8	H14	108.1°	109.5°
C5	C8	H15	108.1°	109.4°
C8	C11	C15	118.1°	109.5°
C8	C11	H1	107.3°	109.4°
C11	C8	H14	108.1°	109.5°
C11	C8	H15	108.1°	109.5°
C8	C11	H20	107.3°	109.4°
C5	S2	C1	108.4°	103.0°
S2	C5	H11	105.6°	109.5°
S2	C1	C3	117.4°	120.1°
S2	C1	C4	124.5°	120.1°
C11	C15	C16	116.3°	109.5°
C15	C11	H1	107.3°	109.5°
C11	C15	H2	107.7°	109.5°
C15	C11	H20	107.3°	109.5°
C11	C15	H21	107.8°	109.5°
C3	C1	C4	118.0°	119.8°
C1	C3	C6	123.0°	119.9°
C1	C3	H9	118.5°	120.0°
C1	C4	C7	118.4°	120.0°
C1	C4	H10	120.8°	120.1°
C3	C6	C10	120.9°	120.1°
C6	C3	H9	118.5°	120.0°
C3	C6	H12	119.5°	119.9°
C4	C7	C10	124.1°	120.0°
C7	C4	H10	120.8°	120.0°
C4	C7	H13	117.9°	120.0°
C6	C10	C7	115.5°	120.2°
C6	C10	C14	121.9°	119.9°
C10	C6	H12	119.6°	120.0°
C15	C16	S17	110.8°	109.5°
C16	C15	H2	107.7°	109.5°
C15	C16	H3	109.2°	109.5°
C15	C16	H4	109.1°	109.5°
C16	C15	H21	107.8°	109.5°
C7	C10	C14	122.6°	119.9°
C10	C7	H13	117.9°	119.9°
C10	C14	H17	109.5°	109.5°
C10	C14	H18	109.4°	109.4°
C10	C14	H19	109.5°	109.5°
C16	S17	C18	101.1°	103.0°
S17	C16	H3	109.1°	109.4°
S17	C16	H4	109.1°	109.4°
S17	C18	C20	117.5°	120.0°
S17	C18	C19	121.0°	120.0°
C18	C20	C22	121.5°	119.9°
C20	C18	C19	121.3°	119.9°
C18	C20	H6	119.2°	120.1°
C20	C22	C23	117.5°	120.1°
C22	C20	H6	119.3°	120.0°
C20	C22	H8	121.2°	120.0°
C18	C19	C21	116.0°	119.9°
C18	C19	H5	122.0°	120.0°
C22	C23	C21	121.0°	120.1°
C22	C23	CL24	120.0°	120.0°
C23	C22	H8	121.3°	119.9°
C19	C21	C23	122.4°	120.1°
C21	C19	H5	122.0°	120.0°
C19	C21	H7	118.8°	119.9°
C21	C23	CL24	119.0°	119.9°
C23	C21	H7	118.8°	120.0°
H1	C11	H20	109.5°	109.5°
H2	C15	H21	109.4°	109.4°
H3	C16	H4	109.5°	109.5°
H14	C8	H15	109.5°	109.5°
H17	C14	H18	109.5°	109.5°
H17	C14	H19	109.4°	109.5°
H18	C14	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C9	O13	C5	179.6°	180.0°
O12	C9	C5	C8	36.3°	123.7°
O12	C9	C5	S2	87.5°	116.4°
O12	C9	C5	H11	157.4°	3.7°
O12	C9	O13	H16	0.0°	0.0°
O13	C9	C5	C8	144.2°	56.3°
O13	C9	C5	S2	92.0°	63.6°
O13	C9	C5	H11	23.0°	176.3°
C9	C5	C8	S2	124.0°	120.0°
C9	C5	C8	H11	121.0°	120.1°
C9	C5	C8	C11	179.7°	175.0°
C9	C5	S2	H11	116.8°	120.1°
C9	C5	S2	C1	75.5°	69.7°
C9	C5	C8	H14	59.5°	65.0°
C9	C5	C8	H15	58.9°	55.1°
C5	C9	O13	H16	179.6°	180.0°
C5	C8	C11	H14	120.8°	120.0°
C5	C8	C11	H15	120.8°	119.9°
C8	C5	S2	H11	117.0°	120.0°
C8	C5	S2	C1	158.2°	170.4°
C5	C8	C11	C15	66.6°	180.0°
C5	C8	C11	H1	172.2°	60.0°
C5	C8	H14	H15	117.5°	120.0°
C5	C8	C11	H20	54.7°	60.0°
C11	C8	C5	S2	55.7°	65.0°
C8	C11	C15	H1	121.2°	120.0°
C8	C11	C15	H20	121.2°	120.0°
C8	C11	C15	C16	176.4°	NaN°
C8	C11	H1	H20	116.1°	120.0°
C8	C11	C15	H2	62.6°	60.0°
C11	C8	C5	H11	59.4°	55.0°
C11	C8	H14	H15	117.5°	120.0°
C8	C11	C15	H21	55.4°	60.0°
C5	S2	C1	C3	168.8°	173.8°
C5	S2	C1	C4	12.2°	6.4°
S2	C5	C8	H14	176.5°	55.0°
S2	C5	C8	H15	65.1°	175.0°
S2	C1	C3	C4	179.1°	179.8°
S2	C1	C3	C6	177.5°	180.0°
S2	C1	C4	C7	178.9°	180.0°
S2	C1	C3	H9	2.6°	0.3°
S2	C1	C4	H10	1.1°	0.2°
C1	S2	C5	H11	41.3°	50.4°
C11	C15	C16	H2	121.0°	120.1°
C11	C15	C16	H21	121.0°	120.0°
C11	C15	C16	S17	72.8°	180.0°
C15	C11	H1	H20	116.1°	120.1°
C11	C15	H2	H21	116.9°	120.0°
C11	C15	C16	H3	167.0°	60.0°
C11	C15	C16	H4	47.4°	60.0°
C15	C11	C8	H14	54.2°	60.0°
C15	C11	C8	H15	172.7°	60.0°
C1	C3	C6	H9	180.0°	179.7°
C3	C1	C4	C7	0.1°	0.2°
C1	C3	C6	C10	1.8°	0.0°
C3	C1	C4	H10	179.9°	180.0°
C1	C3	C6	H12	178.2°	180.0°
C4	C1	C3	C6	1.6°	0.2°
C1	C4	C7	H10	180.0°	179.8°
C1	C4	C7	C10	1.3°	0.0°
C4	C1	C3	H9	178.3°	180.0°
C1	C4	C7	H13	178.7°	180.0°
C3	C6	C10	H12	180.0°	180.0°
C3	C6	C10	C7	0.4°	0.3°
C3	C6	C10	C14	179.2°	180.0°
C4	C7	C10	C6	1.1°	0.3°
C4	C7	C10	H13	180.0°	180.0°
C4	C7	C10	C14	179.3°	180.0°
C6	C10	C7	C14	179.7°	179.7°
C10	C6	C3	H9	178.1°	179.7°
C6	C10	C7	H13	178.9°	179.7°
C6	C10	C14	H17	89.8°	90.0°
C6	C10	C14	H18	150.2°	150.0°
C6	C10	C14	H19	30.2°	30.0°
C15	C16	S17	H3	120.2°	120.0°
C15	C16	S17	H4	120.2°	120.0°
C15	C16	S17	C18	71.2°	180.0°
C16	C15	C11	H1	55.2°	60.0°
C16	C15	H2	H21	116.9°	120.0°
C15	C16	H3	H4	119.4°	120.1°
C16	C15	C11	H20	62.4°	60.0°
C10	C7	C4	H10	178.7°	179.8°
C7	C10	C6	H12	179.6°	179.8°
C7	C10	C14	H17	89.8°	90.3°
C7	C10	C14	H18	30.2°	29.8°
C7	C10	C14	H19	150.2°	149.8°
C14	C10	C6	H12	0.7°	0.1°
C14	C10	C7	H13	0.7°	0.0°
C10	C14	H17	H18	120.0°	120.0°
C10	C14	H17	H19	120.0°	120.0°
C10	C14	H18	H19	120.0°	120.0°
C16	S17	C18	C20	118.0°	0.3°
C16	S17	C18	C19	58.3°	180.0°
S17	C16	C15	H2	48.2°	60.0°
S17	C16	H3	H4	119.4°	120.0°
S17	C16	C15	H21	166.2°	59.9°
S17	C18	C20	C19	176.3°	179.7°
S17	C18	C20	C22	179.8°	179.8°
S17	C18	C19	C21	178.3°	179.7°
C18	S17	C16	H3	49.0°	60.0°
C18	S17	C16	H4	168.6°	60.0°
S17	C18	C19	H5	1.7°	0.3°
S17	C18	C20	H6	0.2°	0.3°
C18	C20	C22	H6	180.0°	179.9°
C18	C20	C22	C23	0.6°	0.1°
C20	C18	C19	C21	5.5°	0.0°
C20	C18	C19	H5	174.5°	180.0°
C18	C20	C22	H8	179.4°	180.0°
C22	C20	C18	C19	3.9°	0.1°
C20	C22	C23	H8	180.0°	179.9°
C20	C22	C23	C21	0.7°	0.0°
C20	C22	C23	CL24	178.2°	180.0°
C18	C19	C21	H5	180.0°	180.0°
C18	C19	C21	C23	4.3°	0.0°
C19	C18	C20	H6	176.1°	180.0°
C18	C19	C21	H7	175.7°	180.0°
C22	C23	C21	C19	1.3°	0.0°
C22	C23	C21	CL24	178.9°	180.0°
C23	C22	C20	H6	179.4°	180.0°
C22	C23	C21	H7	178.7°	180.0°
C19	C21	C23	H7	180.0°	180.0°
C19	C21	C23	CL24	179.8°	180.0°
C23	C21	C19	H5	175.7°	180.0°
C21	C23	C22	H8	179.4°	180.0°
CL24	C23	C21	H7	0.2°	0.0°
CL24	C23	C22	H8	1.8°	0.1°
H1	C11	C15	H2	176.2°	60.0°
H1	C11	C8	H14	67.0°	180.0°
H1	C11	C8	H15	51.4°	59.9°
H1	C11	C15	H21	65.8°	179.9°
H2	C15	C16	H3	72.0°	179.9°
H2	C15	C16	H4	168.4°	60.0°
H2	C15	C11	H20	58.6°	180.0°
H3	C16	C15	H21	46.0°	60.0°
H4	C16	C15	H21	73.6°	179.9°
H5	C19	C21	H7	4.3°	0.0°
H6	C20	C22	H8	0.6°	0.1°
H9	C3	C6	H12	1.8°	0.2°
H10	C4	C7	H13	1.2°	0.3°
H11	C5	C8	H14	61.5°	175.0°
H11	C5	C8	H15	179.8°	65.0°
H14	C8	C11	H20	175.5°	60.0°
H15	C8	C11	H20	66.1°	179.9°
H17	C14	H18	H19	120.0°	120.0°
H20	C11	C15	H21	176.6°	60.0°

Release date:	2025-08-06
Definition date:	2025-07-25
Last modified:	2025-08-01
Release status:	REL
Processing site:	RCSB
Derived from:	7FYL