A1BKU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	N18	doub	1.31Å	1.41Å	Aromatic
C17	N16	sing	1.35Å	1.34Å	Aromatic
N18	C19	sing	1.33Å	1.41Å	Aromatic
N16	C15	sing	1.38Å	1.40Å	Aromatic
C03	C02	sing	1.51Å	1.51Å
C01	C02	doub	1.31Å	1.34Å
C19	C15	doub	1.37Å	1.41Å	Aromatic
C19	C20	sing	1.51Å	1.45Å
C02	C04	sing	1.51Å	1.55Å
C15	C13	sing	1.47Å	1.54Å
C04	O05	sing	1.43Å	1.40Å
C13	N12	sing	1.35Å	1.45Å
C13	O14	doub	1.22Å	1.22Å
N12	C11	sing	1.40Å	1.48Å
O05	C06	sing	1.36Å	1.40Å
C11	C06	doub	1.39Å	1.43Å	Aromatic
C11	C10	sing	1.39Å	1.41Å	Aromatic
C06	C07	sing	1.39Å	1.40Å	Aromatic
C10	C09	doub	1.38Å	1.40Å	Aromatic
C07	C08	doub	1.38Å	1.39Å	Aromatic
C09	C08	sing	1.38Å	1.38Å	Aromatic
C17	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.08Å	1.08Å
C01	H3	sing	1.08Å	1.08Å
C03	H4	sing	1.09Å	1.10Å
C03	H5	sing	1.09Å	1.10Å
C03	H6	sing	1.09Å	1.10Å
C04	H7	sing	1.09Å	1.10Å
C04	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.08Å	1.08Å
C08	H10	sing	1.08Å	1.08Å
C09	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.08Å	1.08Å
C20	H13	sing	1.09Å	1.10Å
C20	H14	sing	1.09Å	1.10Å
C20	H15	sing	1.09Å	1.10Å
N12	H16	sing	0.97Å	1.00Å
N16	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N18	C17	N16	111.2°	109.2°
C17	N18	C19	105.5°	109.7°
N18	C17	H1	124.4°	125.4°
C17	N16	C15	107.5°	107.0°
N16	C17	H1	124.4°	125.4°
C17	N16	H17	126.2°	126.4°
N18	C19	C15	107.5°	107.8°
N18	C19	C20	119.8°	126.1°
N16	C15	C19	108.2°	106.3°
N16	C15	C13	124.1°	126.8°
C15	N16	H17	126.3°	126.5°
C03	C02	C01	124.2°	120.0°
C03	C02	C04	106.5°	120.0°
C02	C03	H4	109.5°	109.5°
C02	C03	H5	109.5°	109.5°
C02	C03	H6	109.4°	109.4°
C01	C02	C04	129.3°	120.0°
C02	C01	H2	120.0°	120.0°
C02	C01	H3	120.0°	120.0°
C15	C19	C20	132.6°	126.1°
C19	C15	C13	127.6°	126.9°
C19	C20	H13	109.5°	109.5°
C19	C20	H14	109.5°	109.5°
C19	C20	H15	109.5°	109.5°
C02	C04	O05	121.5°	109.5°
C02	C04	H7	106.4°	109.5°
C02	C04	H8	106.4°	109.4°
C15	C13	N12	125.6°	120.0°
C15	C13	O14	115.8°	120.0°
C04	O05	C06	112.5°	117.0°
O05	C04	H7	106.4°	109.5°
O05	C04	H8	106.4°	109.5°
N12	C13	O14	118.6°	120.0°
C13	N12	C11	128.8°	120.0°
C13	N12	H16	115.6°	120.0°
N12	C11	C06	120.8°	120.1°
N12	C11	C10	125.2°	120.1°
C11	N12	H16	115.6°	120.0°
O05	C06	C11	120.0°	120.1°
O05	C06	C07	117.7°	120.1°
C06	C11	C10	114.0°	119.8°
C11	C06	C07	122.3°	119.8°
C11	C10	C09	123.9°	120.0°
C11	C10	H12	118.1°	120.0°
C06	C07	C08	121.0°	120.0°
C06	C07	H9	119.5°	120.0°
C10	C09	C08	120.1°	120.2°
C10	C09	H11	120.0°	119.9°
C09	C10	H12	118.0°	120.0°
C07	C08	C09	118.7°	120.2°
C08	C07	H9	119.5°	120.0°
C07	C08	H10	120.7°	119.9°
C09	C08	H10	120.7°	119.9°
C08	C09	H11	120.0°	119.9°
H2	C01	H3	120.0°	120.0°
H4	C03	H5	109.5°	109.5°
H4	C03	H6	109.5°	109.4°
H5	C03	H6	109.5°	109.5°
H7	C04	H8	109.5°	109.5°
H13	C20	H14	109.4°	109.5°
H13	C20	H15	109.4°	109.5°
H14	C20	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N18	C17	N16	H1	180.0°	179.7°
N18	C17	N16	C15	0.2°	0.0°
C17	N18	C19	C15	0.2°	0.0°
C17	N18	C19	C20	179.8°	180.0°
N18	C17	N16	H17	179.8°	180.0°
N16	C17	N18	C19	0.2°	0.0°
C17	N16	C15	H17	180.0°	180.0°
C17	N16	C15	C19	0.1°	0.0°
C17	N16	C15	C13	179.6°	180.0°
N18	C19	C15	N16	0.1°	0.0°
N18	C19	C15	C20	179.5°	180.0°
N18	C19	C15	C13	179.5°	180.0°
C19	N18	C17	H1	179.8°	179.7°
N18	C19	C20	H13	0.0°	90.0°
N18	C19	C20	H14	120.0°	30.1°
N18	C19	C20	H15	120.0°	150.1°
N16	C15	C19	C13	179.6°	180.0°
N16	C15	C19	C20	179.6°	180.0°
N16	C15	C13	N12	13.7°	0.0°
N16	C15	C13	O14	164.4°	180.0°
C15	N16	C17	H1	179.9°	179.7°
C03	C02	C01	C04	178.0°	180.0°
C03	C02	C04	O05	69.7°	180.0°
C03	C02	C01	H2	178.0°	0.0°
C03	C02	C01	H3	2.0°	179.9°
C02	C03	H4	H5	120.0°	120.0°
C02	C03	H4	H6	120.0°	119.9°
C02	C03	H5	H6	120.0°	120.0°
C03	C02	C04	H7	52.0°	60.0°
C03	C02	C04	H8	168.6°	60.0°
C01	C02	C04	O05	112.0°	0.0°
C02	C01	H2	H3	180.0°	180.0°
C01	C02	C03	H4	180.0°	89.9°
C01	C02	C03	H5	60.0°	150.0°
C01	C02	C03	H6	60.0°	30.0°
C01	C02	C04	H7	126.3°	120.0°
C01	C02	C04	H8	9.7°	120.0°
C19	C15	C13	N12	166.8°	180.0°
C19	C15	C13	O14	15.1°	0.0°
C15	C19	C20	H13	179.5°	90.0°
C15	C19	C20	H14	60.6°	150.0°
C15	C19	C20	H15	59.5°	30.0°
C19	C15	N16	H17	179.9°	180.0°
C20	C19	C15	C13	0.0°	0.0°
C19	C20	H13	H14	120.0°	120.0°
C19	C20	H13	H15	120.0°	120.0°
C19	C20	H14	H15	120.0°	120.0°
C02	C04	O05	H7	121.7°	120.0°
C02	C04	O05	H8	121.7°	119.9°
C02	C04	O05	C06	160.7°	180.0°
C04	C02	C01	H2	0.0°	180.0°
C04	C02	C01	H3	180.0°	0.1°
C04	C02	C03	H4	1.6°	90.1°
C04	C02	C03	H5	121.6°	30.0°
C04	C02	C03	H6	118.4°	150.0°
C02	C04	H7	H8	114.5°	120.0°
C15	C13	N12	O14	178.0°	180.0°
C15	C13	N12	C11	178.6°	175.5°
C15	C13	N12	H16	1.4°	4.4°
C13	C15	N16	H17	0.3°	0.0°
C04	O05	C06	C11	80.2°	180.0°
C04	O05	C06	C07	101.1°	0.0°
O05	C04	H7	H8	114.6°	120.0°
C13	N12	C11	H16	180.0°	179.9°
C13	N12	C11	C06	169.8°	145.6°
C13	N12	C11	C10	9.9°	34.7°
O14	C13	N12	C11	0.6°	4.5°
O14	C13	N12	H16	179.4°	175.6°
N12	C11	C06	O05	0.3°	0.3°
N12	C11	C06	C10	179.7°	179.7°
N12	C11	C06	C07	178.9°	179.7°
N12	C11	C10	C09	179.5°	179.8°
N12	C11	C10	H12	0.5°	0.3°
O05	C06	C11	C07	178.6°	180.0°
O05	C06	C11	C10	179.4°	180.0°
O05	C06	C07	C08	179.9°	179.9°
C06	O05	C04	H7	39.0°	60.0°
C06	O05	C04	H8	77.7°	60.1°
O05	C06	C07	H9	0.1°	0.1°
C06	C11	C10	C09	0.2°	0.1°
C11	C06	C07	C08	1.4°	0.0°
C11	C06	C07	H9	178.6°	179.9°
C06	C11	C10	H12	179.8°	180.0°
C06	C11	N12	H16	10.2°	34.3°
C10	C11	C06	C07	0.8°	0.0°
C11	C10	C09	H12	180.0°	179.9°
C11	C10	C09	C08	0.3°	0.1°
C11	C10	C09	H11	179.8°	179.9°
C10	C11	N12	H16	170.1°	145.3°
C06	C07	C08	H9	180.0°	179.9°
C06	C07	C08	C09	1.4°	0.0°
C06	C07	C08	H10	178.6°	180.0°
C10	C09	C08	C07	0.8°	0.0°
C10	C09	C08	H11	180.0°	180.0°
C10	C09	C08	H10	179.2°	180.0°
C07	C08	C09	H10	180.0°	180.0°
C07	C08	C09	H11	179.2°	180.0°
C09	C08	C07	H9	178.6°	179.9°
C08	C09	C10	H12	179.7°	180.0°
H1	C17	N16	H17	0.2°	0.3°
H4	C03	H5	H6	120.0°	120.0°
H9	C07	C08	H10	1.4°	0.1°
H10	C08	C09	H11	0.8°	0.0°
H11	C09	C10	H12	0.3°	0.0°
H13	C20	H14	H15	120.0°	120.0°

Release date:	2025-11-05
Definition date:	2024-12-10
Last modified:	2025-10-31
Release status:	REL
Processing site:	RCSB
Derived from:	9MFF