A1BQI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.33Å
O	C	doub	1.21Å	1.23Å
C	C1	sing	1.51Å	1.52Å
C1	C2	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.53Å
C4	N1	sing	1.47Å	1.47Å
N1	C5	sing	1.35Å	1.35Å
C5	O1	doub	1.21Å	1.23Å
C6	C5	sing	1.51Å	1.51Å
C7	C6	sing	1.51Å	1.50Å
C7	C8	doub	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.39Å	1.38Å	Aromatic
C11	C12	doub	1.39Å	1.39Å	Aromatic
C12	C7	sing	1.39Å	1.39Å	Aromatic
O2	C12	sing	1.36Å	1.37Å
C13	O2	sing	1.43Å	1.45Å
C14	C13	sing	1.53Å	1.50Å
O3	C14	sing	1.43Å	1.46Å
C11	O3	sing	1.36Å	1.37Å
C15	N1	sing	1.47Å	1.46Å
C1	C15	sing	1.53Å	1.53Å
C4	H8	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C8	H11	sing	1.08Å	1.08Å
C10	H13	sing	1.08Å	1.08Å
C13	H15	sing	1.09Å	1.10Å
C13	H14	sing	1.09Å	1.10Å
C15	H18	sing	1.09Å	1.10Å
C15	H19	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
N	H2	sing	0.97Å	1.00Å
N	H1	sing	0.97Å	1.00Å
C14	H17	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
C9	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	123.1°	120.1°
N	C	C1	115.8°	120.0°
C	N	H2	120.0°	120.0°
C	N	H1	120.0°	120.0°
O	C	C1	121.1°	120.0°
C	C1	C2	112.1°	109.5°
C	C1	C15	112.6°	109.8°
C	C1	H	108.1°	109.5°
C1	C2	C3	111.1°	109.7°
C2	C1	C15	108.2°	109.2°
C1	C2	H4	109.1°	109.2°
C1	C2	H3	109.1°	109.5°
C2	C1	H	107.8°	109.5°
C2	C3	C4	110.8°	109.3°
C2	C3	H6	109.1°	109.5°
C2	C3	H5	109.1°	109.5°
C3	C2	H4	109.1°	109.5°
C3	C2	H3	109.1°	109.5°
C3	C4	N1	110.0°	108.8°
C3	C4	H8	109.3°	109.5°
C3	C4	H7	109.4°	109.7°
C4	C3	H6	109.1°	109.5°
C4	C3	H5	109.1°	109.5°
C4	N1	C5	125.2°	120.6°
C4	N1	C15	114.1°	118.7°
N1	C4	H8	109.3°	109.6°
N1	C4	H7	109.3°	109.6°
N1	C5	O1	122.6°	120.0°
N1	C5	C6	115.2°	120.0°
C5	N1	C15	119.4°	120.6°
O1	C5	C6	122.0°	120.0°
C5	C6	C7	110.0°	109.5°
C5	C6	H10	109.3°	109.5°
C5	C6	H9	109.3°	109.5°
C6	C7	C8	121.0°	120.0°
C6	C7	C12	120.5°	120.0°
C7	C6	H10	109.3°	109.5°
C7	C6	H9	109.4°	109.4°
C7	C8	C9	120.5°	120.2°
C8	C7	C12	118.5°	120.0°
C7	C8	H11	119.7°	119.9°
C8	C9	C10	120.5°	120.1°
C9	C8	H11	119.7°	120.0°
C8	C9	H12	119.7°	120.0°
C9	C10	C11	119.7°	120.1°
C9	C10	H13	120.1°	119.9°
C10	C9	H12	119.7°	120.0°
C10	C11	C12	119.6°	119.8°
C10	C11	O3	118.6°	119.3°
C11	C10	H13	120.2°	120.0°
C11	C12	C7	121.1°	119.8°
C11	C12	O2	122.0°	120.8°
C12	C11	O3	121.8°	120.8°
C7	C12	O2	116.8°	119.4°
C12	O2	C13	115.7°	116.7°
O2	C13	C14	111.4°	108.2°
O2	C13	H15	109.0°	109.7°
O2	C13	H14	109.0°	109.7°
C13	C14	O3	114.9°	108.1°
C14	C13	H15	109.0°	109.7°
C14	C13	H14	109.0°	109.8°
C13	C14	H17	108.1°	109.7°
C13	C14	H16	108.1°	109.7°
C14	O3	C11	116.5°	116.6°
O3	C14	H17	108.1°	109.8°
O3	C14	H16	108.1°	109.6°
N1	C15	C1	107.4°	108.8°
N1	C15	H18	110.0°	109.6°
N1	C15	H19	110.0°	109.6°
C1	C15	H18	110.0°	109.6°
C1	C15	H19	110.0°	109.7°
C15	C1	H	107.9°	109.3°
H8	C4	H7	109.5°	109.6°
H10	C6	H9	109.5°	109.5°
H15	C13	H14	109.5°	109.8°
H18	C15	H19	109.5°	109.6°
H6	C3	H5	109.5°	109.5°
H4	C2	H3	109.5°	109.4°
H2	N	H1	120.0°	120.0°
H17	C14	H16	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.7°	180.0°
N	C	C1	C2	108.6°	180.0°
N	C	C1	C15	129.1°	60.1°
N	C	C1	H	10.0°	59.9°
C	N	H2	H1	180.0°	179.9°
O	C	C1	C2	71.7°	0.0°
O	C	C1	C15	50.6°	119.9°
O	C	C1	H	169.8°	120.1°
O	C	N	H2	0.0°	180.0°
O	C	N	H1	180.0°	0.0°
C	C1	C2	C15	124.8°	120.2°
C	C1	C2	H	118.8°	120.1°
C	C1	C2	C3	177.0°	178.7°
C	C1	C15	N1	174.3°	174.6°
C	C1	C15	H	119.2°	120.2°
C	C1	C15	H18	54.6°	65.6°
C	C1	C15	H19	66.0°	54.7°
C	C1	C2	H4	56.8°	61.3°
C	C1	C2	H3	62.8°	58.5°
C1	C	N	H2	179.7°	0.1°
C1	C	N	H1	0.3°	180.0°
C1	C2	C3	H4	120.3°	119.8°
C1	C2	C3	H3	120.2°	120.2°
C1	C2	C3	C4	53.3°	61.1°
C2	C1	C15	N1	61.2°	54.5°
C2	C1	C15	H	116.3°	119.8°
C2	C1	C15	H18	179.1°	174.3°
C2	C1	C15	H19	58.5°	65.3°
C1	C2	C3	H6	67.0°	178.9°
C1	C2	C3	H5	173.5°	58.8°
C1	C2	H4	H3	119.3°	119.9°
C2	C3	C4	H6	120.2°	120.0°
C2	C3	C4	H5	120.2°	120.0°
C2	C3	C4	N1	51.4°	54.6°
C3	C2	C1	C15	58.2°	61.1°
C2	C3	C4	H8	171.5°	65.2°
C2	C3	C4	H7	68.7°	174.5°
C2	C3	H6	H5	119.4°	120.1°
C3	C2	H4	H3	119.3°	120.0°
C3	C2	C1	H	58.2°	58.6°
C3	C4	N1	H8	120.1°	119.7°
C3	C4	N1	H7	120.1°	120.0°
C3	C4	N1	C5	108.3°	126.4°
C3	C4	N1	C15	58.6°	53.8°
C3	C4	H8	H7	119.8°	120.4°
C4	C3	H6	H5	119.4°	120.1°
C4	C3	C2	H4	173.5°	58.7°
C4	C3	C2	H3	67.0°	178.7°
C4	N1	C5	C15	166.3°	179.8°
C4	N1	C5	O1	179.7°	179.9°
C4	N1	C5	C6	4.8°	0.0°
C4	N1	C15	C1	63.8°	53.8°
N1	C4	H8	H7	119.8°	120.3°
C4	N1	C15	H18	176.5°	173.6°
C4	N1	C15	H19	55.9°	66.1°
N1	C4	C3	H6	68.9°	174.6°
N1	C4	C3	H5	171.6°	65.4°
N1	C5	O1	C6	175.2°	180.0°
N1	C5	C6	C7	172.9°	180.0°
C5	N1	C15	C1	104.0°	126.3°
C5	N1	C4	H8	11.8°	113.9°
C5	N1	C4	H7	131.6°	6.4°
N1	C5	C6	H10	52.8°	60.0°
N1	C5	C6	H9	67.1°	60.0°
C5	N1	C15	H18	15.7°	6.5°
C5	N1	C15	H19	136.3°	113.7°
O1	C5	C6	C7	2.6°	0.0°
O1	C5	N1	C15	14.0°	0.2°
O1	C5	C6	H10	122.7°	120.0°
O1	C5	C6	H9	117.5°	120.0°
C5	C6	C7	H10	120.1°	120.0°
C5	C6	C7	H9	120.1°	120.0°
C5	C6	C7	C8	92.1°	95.0°
C5	C6	C7	C12	90.6°	84.8°
C6	C5	N1	C15	161.5°	179.8°
C5	C6	H10	H9	119.8°	120.0°
C6	C7	C8	C12	177.4°	179.7°
C6	C7	C8	C9	176.2°	180.0°
C6	C7	C12	C11	175.3°	180.0°
C6	C7	C12	O2	8.0°	0.2°
C7	C6	H10	H9	119.8°	120.0°
C6	C7	C8	H11	3.8°	0.1°
C7	C8	C9	H11	180.0°	180.0°
C7	C8	C9	C10	0.0°	0.0°
C8	C7	C12	C11	2.1°	0.3°
C8	C7	C12	O2	174.6°	179.5°
C8	C7	C6	H10	28.0°	145.0°
C8	C7	C6	H9	147.8°	25.0°
C7	C8	C9	H12	180.0°	179.9°
C8	C9	C10	H12	180.0°	179.9°
C8	C9	C10	C11	0.4°	0.2°
C9	C8	C7	C12	1.2°	0.3°
C8	C9	C10	H13	179.6°	180.0°
C9	C10	C11	H13	180.0°	179.8°
C9	C10	C11	C12	0.5°	0.1°
C9	C10	C11	O3	177.8°	179.6°
C10	C9	C8	H11	180.0°	180.0°
C10	C11	C12	O3	178.2°	179.5°
C10	C11	C12	C7	1.7°	0.1°
C10	C11	C12	O2	174.8°	179.7°
C10	C11	O3	C14	171.1°	162.6°
C11	C10	C9	H12	179.6°	179.8°
C11	C12	C7	O2	176.7°	179.8°
C11	C12	O2	C13	24.1°	17.3°
C12	C11	O3	C14	10.7°	17.9°
C12	C11	C10	H13	179.6°	179.9°
C7	C12	O2	C13	159.2°	162.9°
C7	C12	C11	O3	176.5°	179.4°
C12	C7	C6	H10	149.4°	35.3°
C12	C7	C6	H9	29.5°	155.3°
C12	C7	C8	H11	178.8°	179.8°
C12	O2	C13	C14	42.8°	46.2°
O2	C12	C11	O3	7.0°	0.8°
C12	O2	C13	H15	77.5°	165.9°
C12	O2	C13	H14	163.1°	73.5°
O2	C13	C14	H15	120.3°	119.7°
O2	C13	C14	H14	120.3°	119.6°
O2	C13	C14	O3	46.8°	59.9°
O2	C13	H15	H14	119.1°	120.6°
O2	C13	C14	H17	167.5°	59.9°
O2	C13	C14	H16	74.0°	179.4°
C13	C14	O3	H17	120.8°	119.7°
C13	C14	O3	H16	120.8°	119.6°
C13	C14	O3	C11	31.1°	46.7°
C14	C13	H15	H14	119.2°	120.7°
C13	C14	H17	H16	117.5°	120.7°
O3	C14	C13	H15	73.5°	179.5°
O3	C14	C13	H14	167.0°	59.8°
O3	C14	H17	H16	117.5°	120.6°
O3	C11	C10	H13	2.2°	0.6°
C11	O3	C14	H17	151.9°	73.1°
C11	O3	C14	H16	89.7°	166.2°
N1	C15	C1	H18	119.7°	119.8°
N1	C15	C1	H19	119.7°	119.9°
C15	N1	C4	H8	178.7°	65.9°
C15	N1	C4	H7	61.4°	173.8°
N1	C15	H18	H19	120.9°	120.3°
N1	C15	C1	H	55.1°	65.3°
C1	C15	H18	H19	121.0°	120.4°
C15	C1	C2	H4	178.4°	58.9°
C15	C1	C2	H3	62.0°	178.7°
H8	C4	C3	H6	51.2°	54.8°
H8	C4	C3	H5	68.3°	174.9°
H7	C4	C3	H6	171.1°	65.5°
H7	C4	C3	H5	51.5°	54.5°
H11	C8	C9	H12	0.0°	0.1°
H13	C10	C9	H12	0.4°	0.0°
H15	C13	C14	H17	47.3°	59.7°
H15	C13	C14	H16	165.7°	61.0°
H14	C13	C14	H17	72.2°	179.6°
H14	C13	C14	H16	46.3°	59.7°
H18	C15	C1	H	64.6°	54.6°
H19	C15	C1	H	174.8°	174.9°
H6	C3	C2	H4	53.3°	61.3°
H6	C3	C2	H3	172.8°	58.6°
H5	C3	C2	H4	66.3°	178.6°
H5	C3	C2	H3	53.2°	61.4°
H4	C2	C1	H	62.0°	178.5°
H3	C2	C1	H	178.5°	61.6°

Release date:	2025-02-26
Definition date:	2025-01-13
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HYE