A1KEW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	C6	doub	1.21Å	1.23Å
C6	C16	sing	1.51Å	1.50Å
C6	N7	sing	1.35Å	1.36Å
C12	C10	sing	1.53Å	1.52Å
C12	C4	sing	1.51Å	1.51Å
C8	C4	doub	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.39Å	1.39Å	Aromatic
C10	C3	sing	1.50Å	1.51Å
C4	C2	sing	1.39Å	1.40Å	Aromatic
N7	C9	sing	1.40Å	1.42Å
C9	C14	doub	1.39Å	1.39Å	Aromatic
C3	O11	doub	1.21Å	1.22Å
C3	N1	sing	1.35Å	1.37Å
C2	N1	sing	1.40Å	1.43Å
C2	C5	doub	1.39Å	1.40Å	Aromatic
N1	C15	sing	1.47Å	1.48Å
C14	C5	sing	1.38Å	1.38Å	Aromatic
C17	C15	sing	1.53Å	1.49Å
C5	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C17	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.08Å	1.08Å
N7	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O13	C6	C16	121.9°	120.0°
O13	C6	N7	123.4°	120.0°
C16	C6	N7	114.8°	120.0°
C6	C16	H10	109.5°	109.4°
C6	C16	H11	109.5°	109.5°
C6	C16	H12	109.5°	109.5°
C6	N7	C9	129.4°	120.0°
C6	N7	H16	115.3°	120.0°
C10	C12	C4	110.9°	109.4°
C12	C10	C3	110.3°	109.9°
C12	C10	H3	109.3°	109.5°
C12	C10	H4	109.3°	109.3°
C10	C12	H13	109.1°	109.4°
C10	C12	H14	109.1°	109.5°
C12	C4	C8	120.6°	120.1°
C12	C4	C2	120.3°	119.9°
C4	C12	H13	109.1°	109.6°
C4	C12	H14	109.1°	109.5°
C4	C8	C9	120.9°	119.9°
C8	C4	C2	119.1°	120.1°
C4	C8	H2	119.6°	120.1°
C8	C9	N7	123.3°	120.0°
C8	C9	C14	119.5°	120.0°
C9	C8	H2	119.6°	120.0°
C10	C3	O11	119.3°	119.7°
C10	C3	N1	118.6°	120.7°
C3	C10	H3	109.3°	109.4°
C3	C10	H4	109.3°	109.4°
C4	C2	N1	117.9°	119.9°
C4	C2	C5	120.0°	119.9°
N7	C9	C14	117.2°	120.0°
C9	N7	H16	115.3°	120.0°
C9	C14	C5	120.4°	120.0°
C9	C14	H15	119.8°	120.0°
O11	C3	N1	122.1°	119.6°
C3	N1	C2	122.1°	120.5°
C3	N1	C15	117.5°	119.8°
N1	C2	C5	122.1°	120.2°
C2	N1	C15	120.3°	119.8°
C2	C5	C14	120.2°	120.0°
C2	C5	H1	119.9°	119.9°
N1	C15	C17	112.4°	109.5°
N1	C15	H5	108.7°	109.5°
N1	C15	H6	108.7°	109.5°
C14	C5	H1	119.9°	120.0°
C5	C14	H15	119.8°	120.0°
C17	C15	H5	108.8°	109.5°
C17	C15	H6	108.8°	109.5°
C15	C17	H7	109.5°	109.4°
C15	C17	H8	109.5°	109.5°
C15	C17	H9	109.5°	109.5°
H3	C10	H4	109.5°	109.3°
H5	C15	H6	109.4°	109.4°
H7	C17	H8	109.5°	109.5°
H7	C17	H9	109.5°	109.4°
H8	C17	H9	109.5°	109.5°
H10	C16	H11	109.5°	109.5°
H10	C16	H12	109.5°	109.5°
H11	C16	H12	109.5°	109.5°
H13	C12	H14	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	C6	C16	N7	179.8°	179.9°
O13	C6	N7	C9	3.1°	4.6°
O13	C6	C16	H10	0.0°	90.0°
O13	C6	C16	H11	120.0°	30.0°
O13	C6	C16	H12	120.0°	150.0°
O13	C6	N7	H16	176.9°	175.4°
C16	C6	N7	C9	176.6°	175.4°
C6	C16	H10	H11	120.0°	120.0°
C6	C16	H10	H12	120.0°	120.0°
C6	C16	H11	H12	120.0°	120.0°
C16	C6	N7	H16	3.3°	4.7°
C6	N7	C9	C8	5.6°	35.0°
C6	N7	C9	H16	180.0°	179.9°
C6	N7	C9	C14	177.3°	144.9°
N7	C6	C16	H10	179.8°	90.0°
N7	C6	C16	H11	59.8°	149.9°
N7	C6	C16	H12	60.2°	29.9°
C10	C12	C4	H13	120.2°	119.9°
C10	C12	C4	H14	120.2°	120.0°
C10	C12	C4	C8	147.0°	146.0°
C12	C10	C3	H3	120.1°	120.2°
C12	C10	C3	H4	120.1°	120.0°
C10	C12	C4	C2	31.7°	34.1°
C12	C10	C3	O11	142.3°	144.9°
C12	C10	C3	N1	37.1°	35.2°
C12	C10	H3	H4	119.6°	119.7°
C10	C12	H13	H14	119.4°	120.0°
C12	C4	C8	C2	178.7°	179.9°
C12	C4	C8	C9	178.3°	180.0°
C4	C12	C10	C3	49.5°	48.7°
C12	C4	C2	N1	2.9°	0.0°
C12	C4	C2	C5	178.3°	180.0°
C12	C4	C8	H2	1.7°	0.1°
C4	C12	C10	H3	70.7°	168.9°
C4	C12	C10	H4	169.6°	71.4°
C4	C12	H13	H14	119.4°	120.1°
C4	C8	C9	H2	180.0°	179.9°
C4	C8	C9	N7	176.6°	180.0°
C4	C8	C9	C14	0.5°	0.1°
C8	C4	C2	N1	178.4°	180.0°
C8	C4	C2	C5	0.4°	0.1°
C8	C4	C12	H13	92.8°	94.1°
C8	C4	C12	H14	26.8°	26.0°
C9	C8	C4	C2	0.4°	0.0°
C8	C9	N7	C14	177.1°	180.0°
C8	C9	C14	C5	0.7°	0.1°
C8	C9	C14	H15	179.3°	180.0°
C8	C9	N7	H16	174.4°	144.9°
C10	C3	O11	N1	179.4°	180.0°
C10	C3	N1	C2	2.3°	0.6°
C10	C3	N1	C15	179.5°	179.1°
C3	C10	H3	H4	119.7°	119.8°
C3	C10	C12	H13	70.8°	71.3°
C3	C10	C12	H14	169.7°	168.7°
C4	C2	N1	C3	19.2°	18.7°
C4	C2	N1	C5	178.7°	180.0°
C4	C2	N1	C15	158.9°	161.5°
C4	C2	C5	C14	0.6°	0.1°
C4	C2	C5	H1	179.4°	180.0°
C2	C4	C8	H2	179.6°	180.0°
C2	C4	C12	H13	88.5°	85.9°
C2	C4	C12	H14	151.9°	154.1°
N7	C9	C14	C5	176.6°	180.0°
N7	C9	C8	H2	3.5°	0.1°
N7	C9	C14	H15	3.4°	0.0°
C9	C14	C5	C2	0.7°	0.1°
C9	C14	C5	H15	180.0°	180.0°
C9	C14	C5	H1	179.3°	180.0°
C14	C9	C8	H2	179.5°	180.0°
C14	C9	N7	H16	2.8°	35.2°
O11	C3	N1	C2	177.1°	179.4°
O11	C3	N1	C15	1.1°	0.8°
O11	C3	C10	H3	97.6°	24.6°
O11	C3	C10	H4	22.1°	95.1°
C3	N1	C2	C15	178.1°	179.8°
C3	N1	C2	C5	162.0°	161.3°
C3	N1	C15	C17	94.2°	90.3°
N1	C3	C10	H3	83.0°	155.4°
N1	C3	C10	H4	157.3°	84.9°
C3	N1	C15	H5	145.3°	29.8°
C3	N1	C15	H6	26.2°	149.7°
N1	C2	C5	C14	178.1°	180.0°
C2	N1	C15	C17	84.0°	90.0°
N1	C2	C5	H1	1.9°	0.1°
C2	N1	C15	H5	36.5°	150.0°
C2	N1	C15	H6	155.6°	30.1°
C5	C2	N1	C15	19.8°	18.5°
C2	C5	C14	H1	180.0°	179.9°
C2	C5	C14	H15	179.3°	180.0°
N1	C15	C17	H5	120.5°	120.0°
N1	C15	C17	H6	120.4°	120.0°
N1	C15	H5	H6	118.6°	120.0°
N1	C15	C17	H7	180.0°	180.0°
N1	C15	C17	H8	60.0°	60.0°
N1	C15	C17	H9	60.0°	60.0°
C17	C15	H5	H6	118.7°	120.1°
C15	C17	H7	H8	120.0°	120.0°
C15	C17	H7	H9	120.0°	120.0°
C15	C17	H8	H9	120.0°	120.1°
H1	C5	C14	H15	0.7°	0.1°
H3	C10	C12	H13	169.1°	48.8°
H3	C10	C12	H14	49.5°	71.1°
H4	C10	C12	H13	49.4°	168.5°
H4	C10	C12	H14	70.2°	48.6°
H5	C15	C17	H7	59.5°	60.0°
H5	C15	C17	H8	179.6°	NaN°
H5	C15	C17	H9	60.4°	60.0°
H6	C15	C17	H7	59.6°	60.0°
H6	C15	C17	H8	60.4°	60.0°
H6	C15	C17	H9	179.5°	180.0°
H7	C17	H8	H9	120.0°	120.0°
H10	C16	H11	H12	120.0°	120.0°

Release date:	2026-08-05
Definition date:	2026-07-23
Last modified:	2026-07-31
Release status:	REL
Processing site:	PDBE
Derived from:	32RZ