A1BOK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.32Å
O	C	doub	1.21Å	1.24Å
C	C1	sing	1.51Å	1.52Å
C1	C2	sing	1.55Å	1.54Å
C2	C3	sing	1.54Å	1.53Å
C3	N1	sing	1.47Å	1.47Å
N1	C4	sing	1.35Å	1.35Å
O1	C4	doub	1.21Å	1.22Å
C4	C5	sing	1.51Å	1.52Å
C5	C6	sing	1.51Å	1.51Å
C6	C7	doub	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.51Å	1.49Å
F	C9	sing	1.40Å	1.33Å
F1	C9	sing	1.40Å	1.32Å
F2	C9	sing	1.40Å	1.32Å
C8	C10	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C6	C12	sing	1.38Å	1.39Å	Aromatic
C12	CL	sing	1.74Å	1.74Å
C13	N1	sing	1.47Å	1.47Å
C1	C13	sing	1.55Å	1.53Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C13	H13	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
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	H1	sing	0.97Å	1.00Å
N	H2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	123.1°	120.0°
N	C	C1	115.4°	120.0°
C	N	H1	120.0°	120.0°
C	N	H2	120.0°	119.9°
O	C	C1	121.4°	120.0°
C	C1	C2	116.0°	111.0°
C	C1	C13	112.7°	111.0°
C	C1	H	108.9°	110.9°
C1	C2	C3	101.9°	103.0°
C2	C1	C13	101.6°	101.5°
C1	C2	H4	111.3°	110.6°
C1	C2	H3	111.3°	111.0°
C2	C1	H	108.6°	111.0°
C2	C3	N1	102.7°	107.3°
C2	C3	H6	111.1°	109.9°
C2	C3	H5	111.1°	110.0°
C3	C2	H4	111.4°	110.7°
C3	C2	H3	111.3°	110.8°
C3	N1	C4	123.0°	125.6°
C3	N1	C13	112.0°	108.7°
N1	C3	H6	111.1°	109.9°
N1	C3	H5	111.1°	109.9°
N1	C4	O1	122.2°	119.9°
N1	C4	C5	116.0°	120.1°
C4	N1	C13	124.9°	125.7°
O1	C4	C5	121.8°	120.0°
C4	C5	C6	112.4°	109.5°
C4	C5	H7	108.7°	109.5°
C4	C5	H8	108.7°	109.5°
C5	C6	C7	119.6°	120.0°
C5	C6	C12	123.1°	120.0°
C6	C5	H7	108.7°	109.4°
C6	C5	H8	108.7°	109.5°
C6	C7	C8	122.3°	120.0°
C7	C6	C12	117.1°	120.0°
C6	C7	H9	118.8°	120.0°
C7	C8	C9	119.7°	120.0°
C7	C8	C10	118.8°	120.0°
C8	C7	H9	118.9°	120.0°
C8	C9	F	112.3°	109.5°
C8	C9	F1	112.5°	109.5°
C8	C9	F2	112.7°	109.5°
C9	C8	C10	121.5°	120.0°
F	C9	F1	105.1°	109.5°
F	C9	F2	109.0°	109.5°
F1	C9	F2	104.6°	109.4°
C8	C10	C11	120.2°	120.0°
C8	C10	H10	119.9°	120.0°
C10	C11	C12	119.7°	120.0°
C11	C10	H10	119.9°	120.0°
C10	C11	H11	120.2°	120.0°
C11	C12	C6	121.8°	119.9°
C11	C12	CL	118.3°	120.0°
C12	C11	H11	120.2°	120.0°
C6	C12	CL	119.8°	120.0°
N1	C13	C1	102.3°	104.8°
N1	C13	H13	111.2°	110.4°
N1	C13	H12	111.2°	110.4°
C1	C13	H13	111.2°	110.3°
C1	C13	H12	111.2°	110.5°
C13	C1	H	108.7°	111.0°
H7	C5	H8	109.5°	109.4°
H13	C13	H12	109.5°	110.4°
H6	C3	H5	109.5°	109.8°
H4	C2	H3	109.5°	110.6°
H1	N	H2	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.3°	180.0°
N	C	C1	C2	130.2°	61.5°
N	C	C1	C13	113.3°	173.6°
N	C	C1	H	7.4°	62.5°
C	N	H1	H2	180.0°	180.0°
O	C	C1	C2	50.5°	118.5°
O	C	C1	C13	66.0°	6.4°
O	C	C1	H	173.3°	117.6°
O	C	N	H1	0.0°	180.0°
O	C	N	H2	180.0°	0.0°
C	C1	C2	C13	122.5°	118.1°
C	C1	C2	H	122.9°	123.8°
C	C1	C2	C3	166.7°	153.6°
C	C1	C13	N1	161.4°	155.2°
C	C1	C13	H	120.8°	123.8°
C	C1	C13	H13	79.8°	86.0°
C	C1	C13	H12	42.6°	36.3°
C	C1	C2	H4	74.5°	35.3°
C	C1	C2	H3	48.0°	87.9°
C1	C	N	H1	179.4°	0.0°
C1	C	N	H2	0.6°	180.0°
C1	C2	C3	H4	118.8°	118.2°
C1	C2	C3	H3	118.8°	118.7°
C1	C2	C3	N1	34.2°	22.0°
C2	C1	C13	N1	36.6°	37.1°
C2	C1	C13	H	114.4°	118.1°
C2	C1	C13	H13	155.4°	156.0°
C2	C1	C13	H12	82.2°	81.7°
C1	C2	C3	H6	84.7°	141.5°
C1	C2	C3	H5	153.1°	97.4°
C1	C2	H4	H3	123.5°	123.4°
C2	C3	N1	H6	118.9°	119.5°
C2	C3	N1	H5	118.9°	119.6°
C2	C3	N1	C4	166.3°	179.0°
C2	C3	N1	C13	11.7°	1.3°
C3	C2	C1	C13	44.2°	35.5°
C2	C3	H6	H5	123.1°	121.2°
C3	C2	H4	H3	123.5°	123.2°
C3	C2	C1	H	70.3°	82.6°
C3	N1	C4	C13	177.6°	179.6°
C3	N1	C4	O1	4.2°	179.6°
C3	N1	C4	C5	174.1°	0.3°
C3	N1	C13	C1	15.9°	24.4°
C3	N1	C13	H13	134.7°	143.2°
C3	N1	C13	H12	102.9°	94.6°
N1	C3	H6	H5	123.1°	121.0°
N1	C3	C2	H4	152.9°	96.2°
N1	C3	C2	H3	84.6°	140.7°
N1	C4	O1	C5	178.2°	180.0°
N1	C4	C5	C6	142.5°	180.0°
C4	N1	C13	C1	166.2°	155.9°
N1	C4	C5	H7	97.1°	60.0°
N1	C4	C5	H8	22.0°	60.0°
C4	N1	C13	H13	47.4°	37.1°
C4	N1	C13	H12	75.0°	85.1°
C4	N1	C3	H6	74.8°	61.5°
C4	N1	C3	H5	47.3°	59.4°
O1	C4	C5	C6	39.2°	0.1°
O1	C4	N1	C13	178.2°	0.0°
O1	C4	C5	H7	81.2°	120.0°
O1	C4	C5	H8	159.6°	120.0°
C4	C5	C6	H7	120.5°	120.0°
C4	C5	C6	H8	120.4°	120.1°
C4	C5	C6	C7	113.6°	99.9°
C4	C5	C6	C12	70.9°	80.3°
C5	C4	N1	C13	3.5°	180.0°
C4	C5	H7	H8	118.7°	120.0°
C5	C6	C7	C12	175.7°	179.8°
C5	C6	C7	C8	174.7°	180.0°
C5	C6	C12	C11	173.8°	179.7°
C5	C6	C12	CL	8.1°	0.0°
C6	C5	H7	H8	118.6°	120.0°
C5	C6	C7	H9	5.3°	0.1°
C6	C7	C8	H9	180.0°	179.9°
C6	C7	C8	C9	179.7°	180.0°
C6	C7	C8	C10	0.1°	0.0°
C7	C6	C12	C11	1.7°	0.6°
C7	C6	C12	CL	176.3°	179.8°
C7	C6	C5	H7	6.8°	20.1°
C7	C6	C5	H8	125.9°	140.0°
C7	C8	C9	C10	179.9°	179.9°
C7	C8	C9	F	83.9°	29.9°
C7	C8	C9	F1	34.5°	150.0°
C7	C8	C9	F2	152.5°	90.1°
C7	C8	C10	C11	0.6°	0.0°
C8	C7	C6	C12	1.0°	0.3°
C7	C8	C10	H10	179.4°	179.9°
C8	C9	F	F1	122.7°	120.1°
C8	C9	F	F2	125.6°	120.0°
C8	C9	F1	F2	122.7°	120.0°
C9	C8	C10	C11	179.2°	180.0°
C9	C8	C7	H9	0.3°	0.1°
C9	C8	C10	H10	0.7°	0.0°
F	C9	F1	F2	114.8°	120.0°
F	C9	C8	C10	96.3°	150.0°
F1	C9	C8	C10	145.3°	29.9°
F2	C9	C8	C10	27.3°	90.0°
C8	C10	C11	H10	180.0°	180.0°
C8	C10	C11	C12	0.0°	0.3°
C10	C8	C7	H9	179.9°	180.0°
C8	C10	C11	H11	180.0°	180.0°
C10	C11	C12	H11	180.0°	179.7°
C10	C11	C12	C6	1.3°	0.6°
C10	C11	C12	CL	176.8°	179.8°
C11	C12	C6	CL	178.1°	179.7°
C12	C11	C10	H10	179.9°	179.8°
C12	C6	C5	H7	168.6°	159.7°
C12	C6	C5	H8	49.5°	39.8°
C12	C6	C7	H9	179.0°	179.7°
C6	C12	C11	H11	178.7°	179.7°
CL	C12	C11	H11	3.2°	0.0°
N1	C13	C1	H13	118.8°	118.8°
N1	C13	C1	H12	118.8°	118.9°
N1	C13	H13	H12	123.3°	122.3°
C13	N1	C3	H6	107.3°	118.2°
C13	N1	C3	H5	130.6°	120.9°
N1	C13	C1	H	77.9°	81.0°
C1	C13	H13	H12	123.4°	122.4°
C13	C1	C2	H4	163.0°	82.8°
C13	C1	C2	H3	74.6°	154.0°
H10	C10	C11	H11	0.1°	0.0°
H13	C13	C1	H	40.9°	37.9°
H12	C13	C1	H	163.3°	160.2°
H6	C3	C2	H4	34.0°	23.3°
H6	C3	C2	H3	156.5°	99.8°
H5	C3	C2	H4	88.2°	144.3°
H5	C3	C2	H3	34.3°	21.3°
H4	C2	C1	H	48.4°	159.1°
H3	C2	C1	H	170.9°	35.9°

Release date:	2025-02-26
Definition date:	2025-01-10
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HWT