A1CKB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C14	doub	1.38Å	1.41Å	Aromatic
C13	C12	sing	1.38Å	1.41Å	Aromatic
C14	C15	sing	1.38Å	1.41Å	Aromatic
C12	C11	doub	1.38Å	1.41Å	Aromatic
C15	C10	doub	1.38Å	1.41Å	Aromatic
C11	C10	sing	1.38Å	1.41Å	Aromatic
C10	C3	sing	1.51Å	1.53Å
C2	C3	sing	1.53Å	1.55Å
C2	C1	sing	1.51Å	1.53Å
C3	N1	sing	1.46Å	1.46Å
N1	C4	sing	1.35Å	1.34Å
O3	C1	doub	1.21Å	1.25Å
C1	O1	sing	1.34Å	1.25Å
N2	C6	doub	1.32Å	1.34Å	Aromatic
N2	C5	sing	1.33Å	1.36Å	Aromatic
C6	N3	sing	1.32Å	1.34Å	Aromatic
C4	C5	sing	1.48Å	1.50Å
C4	O2	doub	1.21Å	1.23Å
C5	C8	doub	1.40Å	1.42Å	Aromatic
N3	C7	doub	1.32Å	1.35Å	Aromatic
C8	C7	sing	1.41Å	1.42Å	Aromatic
C8	N4	sing	1.35Å	1.39Å	Aromatic
C7	N5	sing	1.37Å	1.38Å	Aromatic
N4	C9	doub	1.30Å	1.33Å	Aromatic
N5	C9	sing	1.36Å	1.34Å	Aromatic
C3	H3	sing	1.09Å	1.10Å
C6	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C2	H2	sing	1.09Å	1.10Å
C2	H1	sing	1.09Å	1.10Å
N1	H4	sing	0.97Å	1.00Å
N5	H7	sing	0.97Å	1.00Å
O1	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C13	C12	119.5°	120.0°
C13	C14	C15	120.1°	120.0°
C13	C14	H11	119.9°	120.0°
C14	C13	H10	120.2°	120.0°
C13	C12	C11	120.2°	120.0°
C13	C12	H9	119.9°	120.0°
C12	C13	H10	120.3°	120.0°
C14	C15	C10	120.7°	120.0°
C15	C14	H11	120.0°	120.0°
C14	C15	H12	119.7°	120.0°
C12	C11	C10	120.6°	120.0°
C11	C12	H9	119.9°	120.0°
C12	C11	H8	119.7°	120.0°
C15	C10	C11	118.9°	120.0°
C15	C10	C3	121.0°	120.0°
C10	C15	H12	119.6°	120.0°
C11	C10	C3	120.1°	120.0°
C10	C11	H8	119.7°	120.0°
C10	C3	C2	116.4°	109.5°
C10	C3	N1	108.6°	109.5°
C10	C3	H3	106.6°	109.4°
C3	C2	C1	111.9°	109.4°
C2	C3	N1	110.8°	109.5°
C2	C3	H3	106.5°	109.5°
C3	C2	H2	108.9°	109.5°
C3	C2	H1	108.9°	109.5°
C2	C1	O3	117.8°	120.1°
C2	C1	O1	118.1°	120.0°
C1	C2	H2	108.9°	109.5°
C1	C2	H1	108.8°	109.4°
C3	N1	C4	124.3°	120.0°
N1	C3	H3	107.5°	109.4°
C3	N1	H4	117.9°	120.0°
N1	C4	C5	115.3°	120.0°
N1	C4	O2	123.4°	120.0°
C4	N1	H4	117.8°	119.9°
O3	C1	O1	124.1°	120.0°
C1	O1	H14	109.5°	116.9°
C6	N2	C5	118.9°	121.2°
N2	C6	N3	129.2°	122.6°
N2	C6	H5	115.4°	118.7°
N2	C5	C4	120.1°	120.8°
N2	C5	C8	118.2°	118.4°
C6	N3	C7	111.7°	120.7°
N3	C6	H5	115.4°	118.6°
C5	C4	O2	121.3°	120.0°
C4	C5	C8	121.7°	120.8°
C5	C8	C7	116.5°	118.1°
C5	C8	N4	133.5°	134.9°
N3	C7	C8	125.6°	119.0°
N3	C7	N5	128.6°	135.1°
C7	C8	N4	110.0°	107.1°
C8	C7	N5	105.8°	105.8°
C8	N4	C9	102.6°	109.6°
C7	N5	C9	105.4°	107.4°
C7	N5	H7	127.3°	126.3°
N4	C9	N5	116.2°	110.1°
N4	C9	H6	121.9°	125.0°
N5	C9	H6	121.9°	124.9°
C9	N5	H7	127.3°	126.3°
H2	C2	H1	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C13	C12	H10	180.0°	180.0°
C13	C14	C15	H11	180.0°	179.7°
C14	C13	C12	C11	0.5°	0.0°
C13	C14	C15	C10	0.3°	0.3°
C14	C13	C12	H9	179.5°	179.7°
C13	C14	C15	H12	179.7°	179.8°
C12	C13	C14	C15	0.7°	0.0°
C13	C12	C11	H9	180.0°	179.8°
C13	C12	C11	C10	0.1°	0.3°
C12	C13	C14	H11	179.3°	179.7°
C13	C12	C11	H8	179.9°	179.7°
C14	C15	C10	H12	180.0°	179.9°
C14	C15	C10	C11	0.3°	0.6°
C14	C15	C10	C3	179.0°	180.0°
C15	C14	C13	H10	179.3°	180.0°
C12	C11	C10	C15	0.5°	0.6°
C12	C11	C10	H8	180.0°	180.0°
C12	C11	C10	C3	179.2°	180.0°
C11	C12	C13	H10	179.5°	180.0°
C15	C10	C11	C3	178.7°	179.4°
C15	C10	C3	C2	103.3°	80.6°
C15	C10	C3	N1	22.6°	39.5°
C15	C10	C3	H3	138.1°	159.4°
C10	C15	C14	H11	179.7°	180.0°
C15	C10	C11	H8	179.6°	179.4°
C11	C10	C3	C2	78.0°	100.0°
C11	C10	C3	N1	156.1°	140.0°
C11	C10	C3	H3	40.6°	20.0°
C10	C11	C12	H9	179.9°	180.0°
C11	C10	C15	H12	179.8°	179.5°
C10	C3	C2	N1	124.8°	120.0°
C10	C3	C2	H3	118.7°	120.0°
C10	C3	C2	C1	163.1°	174.3°
C10	C3	N1	H3	115.0°	119.9°
C10	C3	N1	C4	115.8°	87.6°
C3	C10	C11	H8	0.8°	0.0°
C3	C10	C15	H12	1.1°	0.0°
C10	C3	C2	H2	76.5°	65.7°
C10	C3	C2	H1	42.8°	54.3°
C10	C3	N1	H4	64.3°	92.3°
C3	C2	C1	H2	120.4°	120.0°
C3	C2	C1	H1	120.3°	120.0°
C2	C3	N1	H3	116.0°	120.0°
C2	C3	N1	C4	115.2°	152.4°
C3	C2	C1	O3	122.5°	4.5°
C3	C2	C1	O1	58.9°	175.5°
C3	C2	H2	H1	118.9°	120.1°
C2	C3	N1	H4	64.8°	27.7°
C1	C2	C3	N1	72.2°	65.7°
C2	C1	O3	O1	178.5°	180.0°
C1	C2	C3	H3	44.4°	54.3°
C1	C2	H2	H1	118.9°	119.9°
C2	C1	O1	H14	178.5°	180.0°
C3	N1	C4	H4	180.0°	180.0°
C3	N1	C4	C5	177.0°	175.3°
C3	N1	C4	O2	3.1°	4.7°
N1	C3	C2	H2	48.2°	54.3°
N1	C3	C2	H1	167.5°	174.4°
N1	C4	C5	N2	10.9°	0.0°
N1	C4	C5	O2	180.0°	180.0°
N1	C4	C5	C8	170.4°	180.0°
C4	N1	C3	H3	0.8°	32.3°
O3	C1	C2	H2	2.1°	115.5°
O3	C1	C2	H1	117.2°	124.5°
O3	C1	O1	H14	0.0°	0.0°
O1	C1	C2	H2	179.2°	64.4°
O1	C1	C2	H1	61.5°	55.5°
N2	C6	N3	H5	180.0°	180.0°
C6	N2	C5	C4	179.7°	180.0°
C6	N2	C5	C8	1.6°	0.0°
N2	C6	N3	C7	1.2°	0.0°
C5	N2	C6	N3	1.8°	0.0°
N2	C5	C4	C8	178.7°	180.0°
N2	C5	C4	O2	169.1°	179.9°
N2	C5	C8	C7	1.1°	0.0°
N2	C5	C8	N4	178.6°	180.0°
C5	N2	C6	H5	178.2°	180.0°
C6	N3	C7	C8	0.7°	0.0°
C6	N3	C7	N5	180.0°	180.0°
C4	C5	C8	C7	179.8°	180.0°
C4	C5	C8	N4	0.1°	0.0°
C5	C4	N1	H4	3.1°	4.7°
O2	C4	C5	C8	9.5°	0.0°
O2	C4	N1	H4	176.9°	175.3°
C5	C8	C7	N3	0.7°	0.0°
C5	C8	C7	N4	179.8°	180.0°
C5	C8	C7	N5	179.8°	180.0°
C5	C8	N4	C9	179.9°	180.0°
N3	C7	C8	N5	179.5°	180.0°
N3	C7	C8	N4	179.1°	180.0°
N3	C7	N5	C9	179.2°	180.0°
C7	N3	C6	H5	178.8°	180.0°
N3	C7	N5	H7	0.8°	0.0°
C7	C8	N4	C9	0.3°	0.0°
C8	C7	N5	C9	0.3°	0.0°
C8	C7	N5	H7	179.7°	180.0°
N4	C8	C7	N5	0.4°	0.0°
C8	N4	C9	N5	0.1°	0.0°
C8	N4	C9	H6	179.9°	179.9°
C7	N5	C9	N4	0.1°	0.0°
C7	N5	C9	H7	180.0°	180.0°
C7	N5	C9	H6	179.9°	179.9°
N4	C9	N5	H6	180.0°	179.9°
N4	C9	N5	H7	179.9°	180.0°
H3	C3	C2	H2	164.8°	174.3°
H3	C3	C2	H1	75.9°	65.7°
H3	C3	N1	H4	179.2°	147.7°
H6	C9	N5	H7	0.1°	0.0°
H9	C12	C11	H8	0.1°	0.1°
H9	C12	C13	H10	0.5°	0.2°
H11	C14	C13	H10	0.7°	0.3°
H11	C14	C15	H12	0.4°	0.1°

Release date:	2025-09-17
Definition date:	2025-07-24
Last modified:	2025-09-12
Release status:	REL
Processing site:	RCSB
Derived from:	7IJE