A1BRF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.39Å
O	C	doub	1.21Å	1.23Å
C	C1	sing	1.51Å	1.52Å
C1	C2	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.52Å
C3	C4	sing	1.50Å	1.50Å
C4	O1	doub	1.21Å	1.19Å
N1	C4	sing	1.33Å	1.32Å
C5	N1	sing	1.47Å	1.48Å
C6	C5	sing	1.53Å	1.55Å
C6	C7	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.51Å
C8	O2	sing	1.43Å	1.44Å
O2	C9	sing	1.36Å	1.36Å
C9	C10	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C13	C14	doub	1.39Å	1.39Å	Aromatic
C9	C14	sing	1.38Å	1.39Å	Aromatic
C14	C6	sing	1.51Å	1.52Å
C15	N1	sing	1.46Å	1.47Å
C1	C15	sing	1.53Å	1.53Å
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H1	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C10	H14	sing	1.08Å	1.08Å
C13	H17	sing	1.08Å	1.08Å
C15	H19	sing	1.09Å	1.10Å
C15	H18	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
N	H2	sing	0.97Å	1.00Å
N	H3	sing	0.97Å	1.00Å
C12	H16	sing	1.08Å	1.08Å
C11	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	123.3°	120.0°
N	C	C1	114.8°	120.0°
C	N	H2	120.0°	120.0°
C	N	H3	120.0°	120.1°
O	C	C1	121.9°	120.0°
C	C1	C2	110.6°	109.6°
C	C1	C15	115.8°	109.8°
C	C1	H	108.3°	109.7°
C1	C2	C3	108.7°	108.7°
C2	C1	C15	105.5°	109.0°
C1	C2	H5	109.7°	109.3°
C1	C2	H4	109.7°	109.8°
C2	C1	H	108.2°	109.6°
C2	C3	C4	116.4°	109.9°
C2	C3	H7	107.7°	109.4°
C2	C3	H6	107.7°	109.3°
C3	C2	H5	109.7°	109.6°
C3	C2	H4	109.7°	109.6°
C3	C4	O1	118.7°	118.2°
C3	C4	N1	119.6°	123.5°
C4	C3	H7	107.7°	109.4°
C4	C3	H6	107.7°	109.4°
O1	C4	N1	121.7°	118.3°
C4	N1	C5	119.0°	117.9°
C4	N1	C15	121.8°	124.1°
N1	C5	C6	117.4°	109.5°
C5	N1	C15	118.8°	117.9°
N1	C5	H8	107.5°	109.4°
N1	C5	H9	107.5°	109.5°
C5	C6	C7	117.1°	109.4°
C5	C6	C14	108.3°	109.4°
C6	C5	H8	107.4°	109.5°
C6	C5	H9	107.5°	109.5°
C5	C6	H1	107.3°	109.4°
C6	C7	C8	110.3°	108.3°
C7	C6	C14	108.4°	109.7°
C7	C6	H1	107.6°	109.4°
C6	C7	H11	109.3°	109.7°
C6	C7	H10	109.3°	109.7°
C7	C8	O2	116.0°	108.4°
C8	C7	H11	109.2°	109.7°
C8	C7	H10	109.2°	109.7°
C7	C8	H13	107.8°	109.7°
C7	C8	H12	107.8°	109.7°
C8	O2	C9	116.3°	117.8°
O2	C8	H13	107.8°	109.7°
O2	C8	H12	107.8°	109.6°
O2	C9	C10	114.2°	118.5°
O2	C9	C14	122.8°	121.8°
C9	C10	C11	119.2°	120.2°
C10	C9	C14	121.3°	119.7°
C9	C10	H14	120.4°	119.9°
C10	C11	C12	120.3°	120.0°
C11	C10	H14	120.4°	119.9°
C10	C11	H15	119.8°	120.1°
C11	C12	C13	120.0°	120.0°
C11	C12	H16	120.0°	120.0°
C12	C11	H15	119.8°	120.0°
C12	C13	C14	121.0°	120.3°
C12	C13	H17	119.5°	119.9°
C13	C12	H16	120.0°	120.0°
C13	C14	C9	117.7°	119.8°
C13	C14	C6	122.3°	118.8°
C14	C13	H17	119.5°	119.8°
C9	C14	C6	120.0°	121.4°
C14	C6	H1	107.7°	109.4°
N1	C15	C1	113.5°	110.5°
N1	C15	H19	108.5°	109.3°
N1	C15	H18	108.4°	109.3°
C1	C15	H19	108.5°	109.3°
C1	C15	H18	108.5°	109.1°
C15	C1	H	108.2°	109.1°
H8	C5	H9	109.5°	109.5°
H11	C7	H10	109.5°	109.8°
H13	C8	H12	109.4°	109.7°
H19	C15	H18	109.5°	109.3°
H7	C3	H6	109.5°	109.4°
H5	C2	H4	109.5°	109.7°
H2	N	H3	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.8°	180.0°
N	C	C1	C2	106.3°	60.0°
N	C	C1	C15	133.8°	179.7°
N	C	C1	H	12.1°	60.4°
C	N	H2	H3	180.0°	180.0°
O	C	C1	C2	73.8°	120.0°
O	C	C1	C15	46.1°	0.3°
O	C	C1	H	167.7°	119.6°
O	C	N	H2	0.0°	179.9°
O	C	N	H3	180.0°	0.0°
C	C1	C2	C15	125.9°	120.2°
C	C1	C2	H	118.5°	120.5°
C	C1	C2	C3	172.4°	172.7°
C	C1	C15	N1	179.7°	170.5°
C	C1	C15	H	121.7°	120.3°
C	C1	C15	H19	59.7°	69.2°
C	C1	C15	H18	59.1°	50.3°
C	C1	C2	H5	52.5°	67.6°
C	C1	C2	H4	67.7°	52.8°
C1	C	N	H2	179.8°	0.0°
C1	C	N	H3	0.2°	180.0°
C1	C2	C3	H5	119.9°	119.5°
C1	C2	C3	H4	119.9°	120.1°
C1	C2	C3	C4	44.6°	48.6°
C2	C1	C15	N1	57.0°	50.5°
C2	C1	C15	H	115.6°	119.7°
C2	C1	C15	H19	177.7°	170.8°
C2	C1	C15	H18	63.5°	69.8°
C1	C2	C3	H7	76.4°	168.8°
C1	C2	C3	H6	165.6°	71.5°
C1	C2	H5	H4	120.4°	120.5°
C2	C3	C4	H7	121.0°	120.1°
C2	C3	C4	H6	121.0°	120.0°
C2	C3	C4	O1	161.5°	162.5°
C2	C3	C4	N1	18.7°	17.6°
C3	C2	C1	C15	61.7°	67.1°
C2	C3	H7	H6	116.8°	119.7°
C3	C2	H5	H4	120.4°	120.5°
C3	C2	C1	H	53.9°	52.3°
C3	C4	O1	N1	179.8°	179.9°
C3	C4	N1	C5	175.5°	177.7°
C3	C4	N1	C15	12.3°	2.6°
C4	C3	H7	H6	116.8°	119.9°
C4	C3	C2	H5	164.5°	70.9°
C4	C3	C2	H4	75.2°	168.7°
O1	C4	N1	C5	4.3°	2.2°
O1	C4	N1	C15	167.9°	177.5°
O1	C4	C3	H7	77.4°	42.3°
O1	C4	C3	H6	40.6°	77.6°
C4	N1	C5	C15	172.4°	179.7°
C4	N1	C5	C6	105.1°	84.4°
C4	N1	C15	C1	33.2°	19.1°
C4	N1	C5	H8	16.0°	155.7°
C4	N1	C5	H9	133.7°	35.7°
C4	N1	C15	H19	153.8°	139.4°
C4	N1	C15	H18	87.4°	101.0°
N1	C4	C3	H7	102.3°	137.7°
N1	C4	C3	H6	139.7°	102.4°
N1	C5	C6	H8	121.1°	120.0°
N1	C5	C6	H9	121.2°	120.0°
N1	C5	C6	C7	30.7°	65.1°
N1	C5	C6	C14	153.7°	174.6°
C5	N1	C15	C1	154.6°	161.2°
N1	C5	H8	H9	116.4°	120.0°
N1	C5	C6	H1	90.3°	54.8°
C5	N1	C15	H19	34.0°	40.9°
C5	N1	C15	H18	84.8°	78.7°
C5	C6	C7	C14	122.9°	120.1°
C5	C6	C7	H1	120.9°	119.9°
C5	C6	C7	C8	172.0°	168.3°
C5	C6	C14	C13	16.9°	42.1°
C5	C6	C14	C9	163.7°	138.1°
C5	C6	C14	H1	115.8°	119.9°
C6	C5	N1	C15	82.5°	95.4°
C6	C5	H8	H9	116.4°	120.0°
C5	C6	C7	H11	67.9°	72.0°
C5	C6	C7	H10	51.9°	48.7°
C6	C7	C8	H11	120.1°	119.7°
C6	C7	C8	H10	120.1°	119.7°
C6	C7	C8	O2	53.2°	64.7°
C7	C6	C14	C13	144.9°	162.1°
C7	C6	C14	C9	35.7°	18.0°
C7	C6	C14	H1	116.2°	120.0°
C7	C6	C5	H8	90.4°	54.9°
C7	C6	C5	H9	151.9°	174.9°
C6	C7	H11	H10	119.6°	120.6°
C6	C7	C8	H13	67.8°	55.0°
C6	C7	C8	H12	174.2°	175.6°
C7	C8	O2	H13	121.0°	119.8°
C7	C8	O2	H12	121.0°	119.7°
C7	C8	O2	C9	37.6°	49.2°
C8	C7	C6	C14	49.1°	48.3°
C8	C7	C6	H1	67.1°	71.8°
C8	C7	H11	H10	119.6°	120.6°
C7	C8	H13	H12	117.0°	120.6°
C8	O2	C9	C10	173.1°	163.0°
C8	O2	C9	C14	21.2°	17.3°
O2	C8	C7	H11	173.3°	175.6°
O2	C8	C7	H10	66.9°	55.0°
O2	C8	H13	H12	117.0°	120.5°
O2	C9	C10	C14	166.0°	179.7°
O2	C9	C10	C11	159.1°	179.4°
O2	C9	C14	C13	158.7°	179.4°
O2	C9	C14	C6	21.9°	0.7°
C9	O2	C8	H13	83.4°	70.6°
C9	O2	C8	H12	158.5°	169.0°
O2	C9	C10	H14	20.9°	0.5°
C9	C10	C11	H14	180.0°	179.9°
C9	C10	C11	C12	2.5°	0.1°
C10	C9	C14	C13	6.1°	0.2°
C10	C9	C14	C6	173.4°	179.7°
C9	C10	C11	H15	177.5°	180.0°
C10	C11	C12	H15	180.0°	180.0°
C10	C11	C12	C13	2.4°	0.1°
C11	C10	C9	C14	6.9°	0.2°
C10	C11	C12	H16	177.6°	179.9°
C11	C12	C13	H16	180.0°	180.0°
C11	C12	C13	C14	3.2°	0.1°
C12	C11	C10	H14	177.5°	180.0°
C11	C12	C13	H17	176.8°	180.0°
C12	C13	C14	H17	180.0°	180.0°
C12	C13	C14	C9	1.0°	0.1°
C12	C13	C14	C6	178.4°	179.8°
C13	C12	C11	H15	177.6°	179.9°
C13	C14	C9	C6	179.4°	179.9°
C13	C14	C6	H1	98.9°	77.8°
C14	C13	C12	H16	176.9°	179.9°
C9	C14	C6	H1	80.5°	102.1°
C14	C9	C10	H14	173.1°	179.9°
C9	C14	C13	H17	179.0°	179.9°
C14	C6	C5	H8	32.5°	65.4°
C14	C6	C5	H9	85.2°	54.7°
C14	C6	C7	H11	169.2°	167.9°
C14	C6	C7	H10	71.0°	71.4°
C6	C14	C13	H17	1.6°	0.2°
N1	C15	C1	H19	120.6°	120.3°
N1	C15	C1	H18	120.6°	120.2°
C15	N1	C5	H8	156.4°	24.6°
C15	N1	C5	H9	38.7°	144.6°
N1	C15	H19	H18	118.2°	119.7°
N1	C15	C1	H	58.6°	69.2°
C1	C15	H19	H18	118.2°	119.3°
C15	C1	C2	H5	178.4°	52.6°
C15	C1	C2	H4	58.2°	173.0°
H8	C5	C6	H1	148.6°	174.7°
H9	C5	C6	H1	30.9°	65.2°
H1	C6	C7	H11	53.0°	47.9°
H1	C6	C7	H10	172.8°	168.6°
H11	C7	C8	H13	52.3°	64.7°
H11	C7	C8	H12	65.7°	55.9°
H10	C7	C8	H13	172.1°	174.7°
H10	C7	C8	H12	54.1°	64.7°
H14	C10	C11	H15	2.5°	0.0°
H17	C13	C12	H16	3.1°	0.0°
H19	C15	C1	H	62.0°	51.1°
H18	C15	C1	H	179.2°	170.5°
H7	C3	C2	H5	43.5°	49.3°
H7	C3	C2	H4	163.7°	71.2°
H6	C3	C2	H5	74.5°	169.1°
H6	C3	C2	H4	45.7°	48.6°
H5	C2	C1	H	66.0°	171.9°
H4	C2	C1	H	173.8°	67.7°
H16	C12	C11	H15	2.4°	0.1°

Release date:	2025-02-26
Definition date:	2025-01-14
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HYQ