A1AL1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.53Å
C2	C1	sing	1.53Å	1.54Å
C1	C3	sing	1.53Å	1.54Å
N	C3	sing	1.47Å	1.46Å
C4	N	sing	1.39Å	1.35Å
C4	N1	doub	1.33Å	1.35Å	Aromatic
N1	C5	sing	1.32Å	1.34Å	Aromatic
C5	N2	doub	1.32Å	1.34Å	Aromatic
N2	C6	sing	1.33Å	1.36Å	Aromatic
N3	C6	sing	1.39Å	1.34Å
C6	C7	doub	1.39Å	1.41Å	Aromatic
C7	C4	sing	1.39Å	1.40Å	Aromatic
CL	C7	sing	1.74Å	1.74Å
C3	C8	sing	1.51Å	1.51Å
C8	C9	doub	1.38Å	1.39Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.41Å	Aromatic
C13	C12	doub	1.39Å	1.39Å	Aromatic
C8	C13	sing	1.38Å	1.39Å	Aromatic
C12	S	sing	1.77Å	1.76Å
O	S	doub	1.42Å	1.45Å
S	O1	doub	1.42Å	1.43Å
C14	S	sing	1.82Å	1.76Å
C15	C14	sing	1.54Å	1.52Å
C16	C15	sing	1.52Å	1.53Å
C11	C16	sing	1.50Å	1.51Å
N3	H10	sing	0.97Å	1.00Å
N3	H11	sing	0.97Å	1.00Å
C5	H9	sing	1.08Å	1.08Å
C10	H13	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å
C15	H17	sing	1.09Å	1.10Å
C15	H18	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C16	H19	sing	1.09Å	1.10Å
C16	H20	sing	1.09Å	1.10Å
C9	H12	sing	1.08Å	1.08Å
C3	H	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
N	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	110.5°	109.5°
C	C1	C3	111.7°	109.4°
C	C1	H4	107.8°	109.5°
C1	C	H1	109.5°	109.5°
C1	C	H2	109.5°	109.4°
C1	C	H3	109.5°	109.5°
C2	C1	C3	111.1°	109.5°
C2	C1	H4	107.7°	109.5°
C1	C2	H5	109.5°	109.5°
C1	C2	H7	109.4°	109.5°
C1	C2	H6	109.5°	109.4°
C1	C3	N	109.4°	109.5°
C1	C3	C8	112.6°	109.4°
C1	C3	H	107.0°	109.5°
C3	C1	H4	107.7°	109.5°
C3	N	C4	125.3°	120.0°
N	C3	C8	112.4°	109.5°
N	C3	H	107.9°	109.5°
C3	N	H8	105.4°	120.0°
N	C4	N1	118.6°	120.5°
N	C4	C7	120.5°	120.5°
C4	N	H8	105.4°	120.0°
C4	N1	C5	115.4°	120.9°
N1	C4	C7	120.9°	119.1°
N1	C5	N2	128.1°	122.0°
N1	C5	H9	115.9°	119.0°
C5	N2	C6	117.3°	120.9°
N2	C5	H9	115.9°	119.0°
N2	C6	N3	118.2°	120.5°
N2	C6	C7	118.5°	119.0°
N3	C6	C7	123.3°	120.5°
C6	N3	H10	109.5°	120.0°
C6	N3	H11	109.4°	120.0°
C6	C7	C4	119.6°	118.2°
C6	C7	CL	119.4°	120.9°
C4	C7	CL	121.0°	120.9°
C3	C8	C9	121.1°	120.3°
C3	C8	C13	120.7°	120.3°
C8	C3	H	107.3°	109.4°
C8	C9	C10	120.9°	119.9°
C9	C8	C13	118.2°	119.4°
C8	C9	H12	119.6°	120.1°
C9	C10	C11	122.1°	121.0°
C9	C10	H13	118.9°	119.6°
C10	C9	H12	119.5°	120.0°
C10	C11	C12	116.6°	118.8°
C10	C11	C16	119.4°	116.6°
C11	C10	H13	118.9°	119.4°
C11	C12	C13	121.6°	120.2°
C11	C12	S	121.8°	121.8°
C12	C11	C16	124.0°	124.6°
C12	C13	C8	120.5°	120.7°
C13	C12	S	116.5°	117.9°
C12	C13	H14	119.8°	119.6°
C8	C13	H14	119.8°	119.7°
C12	S	O	106.9°	104.4°
C12	S	O1	108.9°	104.4°
C12	S	C14	104.6°	103.7°
O	S	O1	117.0°	121.1°
O	S	C14	109.8°	110.7°
O1	S	C14	109.0°	110.7°
S	C14	C15	110.2°	107.1°
S	C14	H16	109.3°	110.0°
S	C14	H15	109.3°	109.9°
C14	C15	C16	111.6°	109.1°
C14	C15	H17	109.0°	109.6°
C14	C15	H18	108.9°	109.6°
C15	C14	H16	109.3°	109.9°
C15	C14	H15	109.3°	109.9°
C15	C16	C11	113.5°	113.8°
C16	C15	H17	108.9°	109.5°
C16	C15	H18	109.0°	109.5°
C15	C16	H19	108.4°	108.6°
C15	C16	H20	108.4°	108.6°
C11	C16	H19	108.5°	108.7°
C11	C16	H20	108.5°	108.5°
H10	N3	H11	109.5°	120.0°
H17	C15	H18	109.5°	109.5°
H16	C14	H15	109.4°	110.0°
H19	C16	H20	109.5°	108.6°
H5	C2	H7	109.5°	109.5°
H5	C2	H6	109.5°	109.5°
H7	C2	H6	109.5°	109.4°
H1	C	H2	109.5°	109.5°
H1	C	H3	109.5°	109.4°
H2	C	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	C3	124.6°	119.9°
C	C1	C2	H4	117.6°	120.0°
C	C1	C3	H4	118.3°	120.0°
C	C1	C3	N	177.6°	60.0°
C	C1	C3	C8	51.8°	180.0°
C	C1	C3	H	65.8°	60.1°
C	C1	C2	H5	180.0°	60.0°
C	C1	C2	H7	60.0°	60.1°
C	C1	C2	H6	60.0°	180.0°
C1	C	H1	H2	120.0°	120.0°
C1	C	H1	H3	120.0°	120.0°
C1	C	H2	H3	120.0°	120.0°
C2	C1	C3	H4	117.8°	120.0°
C2	C1	C3	N	58.5°	180.0°
C2	C1	C3	C8	175.7°	60.0°
C2	C1	C3	H	58.1°	59.9°
C1	C2	H5	H7	120.0°	120.0°
C1	C2	H5	H6	120.0°	120.0°
C1	C2	H7	H6	120.0°	119.9°
C2	C1	C	H1	180.0°	180.0°
C2	C1	C	H2	60.0°	60.0°
C2	C1	C	H3	60.0°	60.0°
C1	C3	N	C8	125.9°	120.0°
C1	C3	N	H	116.1°	120.1°
C1	C3	N	C4	143.7°	85.0°
C1	C3	C8	H	117.4°	120.0°
C1	C3	C8	C9	111.7°	80.0°
C1	C3	C8	C13	70.8°	99.7°
C3	C1	C2	H5	55.4°	59.9°
C3	C1	C2	H7	175.4°	180.0°
C3	C1	C2	H6	64.6°	60.0°
C3	C1	C	H1	55.7°	60.0°
C3	C1	C	H2	64.3°	180.0°
C3	C1	C	H3	175.7°	60.0°
C1	C3	N	H8	94.2°	94.9°
C3	N	C4	H8	122.1°	179.9°
C3	N	C4	N1	21.6°	0.0°
C3	N	C4	C7	161.0°	180.0°
N	C3	C8	H	118.4°	120.0°
N	C3	C8	C9	124.1°	40.0°
N	C3	C8	C13	53.4°	140.3°
N	C3	C1	H4	59.3°	60.0°
N	C4	N1	C7	177.3°	180.0°
N	C4	N1	C5	174.6°	179.9°
N	C4	C7	C6	173.2°	180.0°
N	C4	C7	CL	8.1°	0.1°
C4	N	C3	C8	90.4°	155.0°
C4	N	C3	H	27.6°	35.1°
C4	N1	C5	N2	0.6°	0.1°
N1	C4	C7	C6	4.1°	0.0°
N1	C4	C7	CL	174.6°	180.0°
C4	N1	C5	H9	179.4°	180.0°
N1	C4	N	H8	143.7°	179.9°
N1	C5	N2	H9	180.0°	179.9°
N1	C5	N2	C6	2.5°	0.1°
C5	N1	C4	C7	2.7°	0.0°
C5	N2	C6	N3	176.4°	179.9°
C5	N2	C6	C7	1.0°	0.0°
N2	C6	N3	C7	177.2°	180.0°
N2	C6	C7	C4	2.1°	0.0°
N2	C6	C7	CL	176.6°	180.0°
N2	C6	N3	H10	0.0°	180.0°
N2	C6	N3	H11	120.0°	0.1°
C6	N2	C5	H9	177.5°	180.0°
N3	C6	C7	C4	179.3°	180.0°
N3	C6	C7	CL	0.5°	0.1°
C6	N3	H10	H11	120.0°	179.9°
C6	C7	C4	CL	178.7°	180.0°
C7	C6	N3	H10	177.2°	0.1°
C7	C6	N3	H11	57.2°	180.0°
C7	C4	N	H8	38.9°	0.1°
C3	C8	C9	C13	177.6°	179.7°
C3	C8	C9	C10	178.1°	179.3°
C3	C8	C13	C12	176.6°	179.8°
C3	C8	C13	H14	3.4°	0.3°
C3	C8	C9	H12	1.9°	0.7°
C8	C3	C1	H4	66.5°	60.0°
C8	C3	N	H8	31.7°	25.1°
C8	C9	C10	H12	180.0°	179.9°
C8	C9	C10	C11	0.6°	0.0°
C9	C8	C13	C12	1.0°	0.1°
C8	C9	C10	H13	179.3°	179.9°
C9	C8	C13	H14	179.0°	180.0°
C9	C8	C3	H	5.7°	160.0°
C9	C10	C11	H13	180.0°	179.9°
C9	C10	C11	C12	0.9°	0.8°
C10	C9	C8	C13	0.6°	0.4°
C9	C10	C11	C16	178.4°	178.2°
C10	C11	C12	C16	179.2°	178.9°
C10	C11	C12	C13	2.5°	1.3°
C10	C11	C12	S	173.7°	178.0°
C10	C11	C16	C15	154.8°	155.7°
C10	C11	C16	H19	84.6°	34.6°
C10	C11	C16	H20	34.3°	83.3°
C11	C10	C9	H12	179.4°	180.0°
C11	C12	C13	S	176.4°	179.3°
C11	C12	C13	C8	2.6°	1.0°
C11	C12	S	O	101.4°	128.9°
C11	C12	S	O1	131.3°	103.0°
C11	C12	S	C14	15.0°	12.9°
C12	C11	C16	C15	25.9°	25.3°
C12	C11	C10	H13	179.2°	179.1°
C11	C12	C13	H14	177.4°	179.1°
C12	C11	C16	H19	94.6°	146.5°
C12	C11	C16	H20	146.5°	95.6°
C12	C13	C8	H14	180.0°	179.9°
C13	C12	S	O	75.0°	51.7°
C13	C12	S	O1	52.3°	76.3°
C13	C12	S	C14	168.7°	167.7°
C13	C12	C11	C16	176.8°	177.6°
C8	C13	C12	S	173.8°	178.4°
C13	C8	C9	H12	179.4°	179.6°
C13	C8	C3	H	171.8°	20.3°
C12	S	O	O1	122.3°	117.0°
C12	S	O	C14	112.9°	111.0°
C12	S	O1	C14	113.6°	110.9°
C12	S	C14	C15	43.3°	44.9°
S	C12	C11	C16	7.0°	3.1°
S	C12	C13	H14	6.2°	1.5°
C12	S	C14	H16	76.9°	74.5°
C12	S	C14	H15	163.4°	164.3°
O	S	O1	C14	125.2°	132.1°
O	S	C14	C15	71.1°	156.4°
O	S	C14	H16	168.8°	36.9°
O	S	C14	H15	49.1°	84.3°
O1	S	C14	C15	159.6°	66.4°
O1	S	C14	H16	39.5°	174.1°
O1	S	C14	H15	80.3°	52.9°
S	C14	C15	H16	120.1°	119.4°
S	C14	C15	H15	120.1°	119.3°
S	C14	C15	C16	67.3°	71.3°
S	C14	C15	H17	172.4°	48.6°
S	C14	C15	H18	53.0°	168.8°
S	C14	H16	H15	119.6°	121.2°
C14	C15	C16	H17	120.3°	119.9°
C14	C15	C16	H18	120.3°	119.9°
C14	C15	C16	C11	57.4°	61.7°
C14	C15	H17	H18	119.0°	120.2°
C15	C14	H16	H15	119.7°	121.2°
C14	C15	C16	H19	63.2°	177.1°
C14	C15	C16	H20	178.0°	59.2°
C15	C16	C11	H19	120.6°	121.2°
C15	C16	C11	H20	120.6°	121.0°
C16	C15	H17	H18	119.1°	120.1°
C16	C15	C14	H16	52.8°	48.1°
C16	C15	C14	H15	172.6°	169.3°
C15	C16	H19	H20	118.1°	117.9°
C16	C11	C10	H13	1.6°	1.9°
C11	C16	C15	H17	177.7°	58.2°
C11	C16	C15	H18	62.9°	178.3°
C11	C16	H19	H20	118.2°	117.8°
H13	C10	C9	H12	0.6°	0.1°
H17	C15	C14	H16	67.5°	168.0°
H17	C15	C14	H15	52.3°	70.8°
H17	C15	C16	H19	57.1°	63.0°
H17	C15	C16	H20	61.7°	179.1°
H18	C15	C14	H16	173.1°	71.8°
H18	C15	C14	H15	67.1°	49.4°
H18	C15	C16	H19	176.5°	57.2°
H18	C15	C16	H20	57.7°	60.7°
H	C3	C1	H4	175.9°	180.0°
H	C3	N	H8	149.7°	145.0°
H4	C1	C2	H5	62.4°	180.0°
H4	C1	C2	H7	57.6°	59.9°
H4	C1	C2	H6	177.6°	60.0°
H4	C1	C	H1	62.5°	60.0°
H4	C1	C	H2	177.5°	60.0°
H4	C1	C	H3	57.5°	180.0°
H5	C2	H7	H6	120.0°	120.0°
H1	C	H2	H3	120.0°	120.0°

Release date:	2024-05-15
Definition date:	2024-04-10
Last modified:	2024-05-10
Release status:	REL
Processing site:	RCSB
Derived from:	7H06