8AQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	sing	1.53Å	1.51Å
C10	C11	sing	1.53Å	1.53Å
C9	C8	sing	1.53Å	1.51Å
C11	C6	sing	1.53Å	1.51Å
C8	C7	sing	1.53Å	1.53Å
C6	C7	sing	1.53Å	1.52Å
C6	C5	sing	1.53Å	1.51Å
C12	C13	doub	1.38Å	1.37Å	Aromatic
C12	C4	sing	1.39Å	1.38Å	Aromatic
O2	C4	sing	1.36Å	1.37Å
O2	C5	sing	1.43Å	1.44Å
C13	C14	sing	1.40Å	1.39Å	Aromatic
C4	C3	doub	1.39Å	1.38Å	Aromatic
O3	C15	doub	1.22Å	1.25Å
C14	C15	sing	1.47Å	1.48Å
C14	C2	doub	1.40Å	1.41Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C15	N1	sing	1.35Å	1.32Å
C2	O1	sing	1.36Å	1.37Å
O1	C1	sing	1.43Å	1.43Å
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.08Å	1.08Å
C13	H15	sing	1.08Å	1.08Å
N1	H16	sing	0.97Å	1.00Å
N1	H17	sing	0.97Å	1.00Å
C3	H18	sing	1.08Å	1.08Å
C1	H19	sing	1.09Å	1.10Å
C1	H20	sing	1.09Å	1.10Å
C1	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	C11	113.3°	109.5°
C10	C9	C8	114.0°	109.4°
C10	C9	H10	108.3°	109.5°
C10	C9	H11	108.3°	109.5°
C9	C10	H12	108.5°	109.5°
C9	C10	H13	108.5°	109.4°
C10	C11	C6	112.3°	109.5°
C10	C11	H4	108.8°	109.5°
C10	C11	H5	108.8°	109.5°
C11	C10	H12	108.5°	109.5°
C11	C10	H13	108.5°	109.4°
C9	C8	C7	113.1°	109.5°
C9	C8	H8	108.6°	109.5°
C9	C8	H9	108.6°	109.5°
C8	C9	H10	108.3°	109.5°
C8	C9	H11	108.3°	109.4°
C11	C6	C7	112.1°	109.5°
C11	C6	C5	113.0°	109.5°
C11	C6	H3	107.5°	109.4°
C6	C11	H4	108.7°	109.4°
C6	C11	H5	108.8°	109.4°
C8	C7	C6	113.5°	109.5°
C8	C7	H6	108.4°	109.4°
C8	C7	H7	108.5°	109.5°
C7	C8	H8	108.5°	109.4°
C7	C8	H9	108.5°	109.4°
C7	C6	C5	109.0°	109.5°
C7	C6	H3	107.4°	109.4°
C6	C7	H6	108.5°	109.5°
C6	C7	H7	108.4°	109.5°
C6	C5	O2	113.4°	109.5°
C6	C5	H1	108.5°	109.5°
C6	C5	H2	108.5°	109.5°
C5	C6	H3	107.6°	109.5°
C13	C12	C4	119.3°	120.2°
C12	C13	C14	121.8°	119.9°
C13	C12	H14	120.3°	119.9°
C12	C13	H15	119.1°	120.0°
C12	C4	O2	119.7°	119.9°
C12	C4	C3	120.7°	120.3°
C4	C12	H14	120.4°	119.9°
C4	O2	C5	115.8°	117.0°
O2	C4	C3	119.6°	119.9°
O2	C5	H1	108.5°	109.5°
O2	C5	H2	108.5°	109.5°
C13	C14	C15	118.9°	120.1°
C13	C14	C2	118.2°	119.7°
C14	C13	H15	119.1°	120.0°
C4	C3	C2	120.0°	120.0°
C4	C3	H18	120.0°	120.0°
O3	C15	C14	120.6°	120.0°
O3	C15	N1	121.5°	120.0°
C15	C14	C2	122.9°	120.2°
C14	C15	N1	117.6°	120.0°
C14	C2	C3	120.1°	119.8°
C14	C2	O1	117.6°	120.1°
C3	C2	O1	122.3°	120.1°
C2	C3	H18	120.0°	120.0°
C15	N1	H16	120.0°	120.0°
C15	N1	H17	120.0°	120.0°
C2	O1	C1	119.3°	117.0°
O1	C1	H19	109.5°	109.5°
O1	C1	H20	109.5°	109.5°
O1	C1	H21	109.5°	109.5°
H1	C5	H2	109.5°	109.4°
H4	C11	H5	109.4°	109.4°
H6	C7	H7	109.5°	109.5°
H8	C8	H9	109.5°	109.5°
H10	C9	H11	109.5°	109.5°
H12	C10	H13	109.5°	109.5°
H16	N1	H17	120.0°	120.0°
H19	C1	H20	109.5°	109.5°
H19	C1	H21	109.5°	109.4°
H20	C1	H21	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	C11	H12	120.6°	120.0°
C9	C10	C11	H13	120.5°	119.9°
C10	C9	C8	H10	120.7°	120.0°
C10	C9	C8	H11	120.7°	120.0°
C9	C10	C11	C6	51.5°	60.0°
C10	C9	C8	C7	46.7°	60.0°
C9	C10	C11	H4	68.9°	180.0°
C9	C10	C11	H5	172.0°	60.0°
C10	C9	C8	H8	73.8°	180.0°
C10	C9	C8	H9	167.2°	60.0°
C10	C9	H10	H11	118.0°	120.0°
C9	C10	H12	H13	118.2°	120.0°
C11	C10	C9	C8	48.7°	60.1°
C10	C11	C6	H4	120.4°	120.0°
C10	C11	C6	H5	120.5°	120.0°
C10	C11	C6	C7	52.6°	60.0°
C10	C11	C6	C5	176.2°	180.0°
C10	C11	C6	H3	65.3°	60.0°
C10	C11	H4	H5	118.7°	120.1°
C11	C10	C9	H10	169.4°	60.0°
C11	C10	C9	H11	72.0°	180.0°
C11	C10	H12	H13	118.3°	120.0°
C9	C8	C7	H8	120.5°	120.0°
C9	C8	C7	H9	120.5°	120.0°
C9	C8	C7	C6	48.1°	60.0°
C9	C8	C7	H6	168.7°	60.0°
C9	C8	C7	H7	72.5°	180.0°
C9	C8	H8	H9	118.4°	120.0°
C8	C9	H10	H11	117.9°	120.0°
C8	C9	C10	H12	169.3°	60.0°
C8	C9	C10	H13	71.8°	180.0°
C11	C6	C7	C8	51.2°	59.9°
C11	C6	C7	C5	125.9°	120.0°
C11	C6	C7	H3	117.9°	119.9°
C11	C6	C5	H3	118.5°	120.0°
C11	C6	C5	O2	9.8°	65.0°
C11	C6	C5	H1	130.4°	175.0°
C11	C6	C5	H2	110.8°	55.0°
C6	C11	H4	H5	118.7°	119.9°
C11	C6	C7	H6	171.8°	60.0°
C11	C6	C7	H7	69.4°	180.0°
C6	C11	C10	H12	172.1°	60.0°
C6	C11	C10	H13	69.0°	180.0°
C8	C7	C6	H6	120.6°	120.0°
C8	C7	C6	H7	120.6°	120.0°
C8	C7	C6	C5	177.1°	180.0°
C8	C7	C6	H3	66.7°	60.0°
C8	C7	H6	H7	118.1°	120.0°
C7	C8	H8	H9	118.3°	120.0°
C7	C8	C9	H10	167.4°	60.0°
C7	C8	C9	H11	74.0°	180.0°
C7	C6	C5	H3	116.1°	120.0°
C7	C6	C5	O2	135.2°	175.0°
C7	C6	C5	H1	104.3°	55.0°
C7	C6	C5	H2	14.6°	65.0°
C7	C6	C11	H4	67.9°	180.0°
C7	C6	C11	H5	173.0°	60.1°
C6	C7	H6	H7	118.1°	120.0°
C6	C7	C8	H8	72.4°	180.0°
C6	C7	C8	H9	168.6°	60.0°
C6	C5	O2	C4	144.7°	180.0°
C6	C5	O2	H1	120.6°	120.0°
C6	C5	O2	H2	120.6°	120.0°
C6	C5	H1	H2	118.3°	120.0°
C5	C6	C11	H4	55.7°	60.0°
C5	C6	C11	H5	63.4°	60.0°
C5	C6	C7	H6	62.3°	60.0°
C5	C6	C7	H7	56.5°	60.0°
C13	C12	C4	H14	180.0°	179.9°
C13	C12	C4	O2	178.6°	179.8°
C12	C13	C14	H15	180.0°	180.0°
C13	C12	C4	C3	0.1°	0.0°
C12	C13	C14	C15	176.7°	179.9°
C12	C13	C14	C2	0.8°	0.0°
C12	C4	O2	C3	178.5°	179.7°
C12	C4	O2	C5	165.5°	0.3°
C4	C12	C13	C14	0.7°	0.0°
C12	C4	C3	C2	0.3°	0.0°
C4	C12	C13	H15	179.3°	180.0°
C12	C4	C3	H18	179.7°	180.0°
O2	C4	C3	C2	178.2°	179.7°
C4	O2	C5	H1	24.1°	60.0°
C4	O2	C5	H2	94.7°	59.9°
O2	C4	C12	H14	1.4°	0.3°
O2	C4	C3	H18	1.8°	0.2°
C5	O2	C4	C3	13.1°	180.0°
O2	C5	H1	H2	118.2°	120.0°
O2	C5	C6	H3	108.7°	55.0°
C13	C14	C15	O3	10.1°	179.9°
C13	C14	C15	C2	177.3°	179.9°
C13	C14	C2	C3	0.3°	0.1°
C13	C14	C15	N1	175.3°	0.0°
C13	C14	C2	O1	177.2°	180.0°
C14	C13	C12	H14	179.3°	179.9°
C4	C3	C2	C14	0.3°	0.1°
C4	C3	C2	H18	180.0°	180.0°
C4	C3	C2	O1	177.6°	180.0°
C3	C4	C12	H14	179.9°	179.9°
O3	C15	C14	N1	174.6°	180.0°
O3	C15	C14	C2	167.3°	0.0°
O3	C15	N1	H16	0.0°	179.9°
O3	C15	N1	H17	180.0°	0.1°
C15	C14	C2	C3	177.1°	180.0°
C15	C14	C2	O1	5.5°	0.2°
C15	C14	C13	H15	3.3°	0.0°
C14	C15	N1	H16	174.6°	0.1°
C14	C15	N1	H17	5.4°	180.0°
C14	C2	C3	O1	177.3°	179.9°
C2	C14	C15	N1	7.4°	179.9°
C14	C2	O1	C1	168.4°	180.0°
C2	C14	C13	H15	179.2°	179.9°
C14	C2	C3	H18	179.7°	180.0°
C3	C2	O1	C1	9.0°	0.1°
C15	N1	H16	H17	180.0°	179.9°
O1	C2	C3	H18	2.4°	0.1°
C2	O1	C1	H19	180.0°	60.0°
C2	O1	C1	H20	60.0°	179.9°
C2	O1	C1	H21	60.0°	60.0°
O1	C1	H19	H20	120.0°	120.0°
O1	C1	H19	H21	120.0°	120.0°
O1	C1	H20	H21	120.0°	120.0°
H1	C5	C6	H3	11.9°	65.0°
H2	C5	C6	H3	130.7°	175.0°
H3	C6	C11	H4	174.3°	60.1°
H3	C6	C11	H5	55.2°	180.0°
H3	C6	C7	H6	53.9°	180.0°
H3	C6	C7	H7	172.7°	60.1°
H4	C11	C10	H12	51.7°	60.0°
H4	C11	C10	H13	170.6°	60.0°
H5	C11	C10	H12	67.4°	180.0°
H5	C11	C10	H13	51.4°	60.0°
H6	C7	C8	H8	48.2°	60.0°
H6	C7	C8	H9	70.7°	NaN°
H7	C7	C8	H8	167.0°	60.0°
H7	C7	C8	H9	48.0°	60.0°
H8	C8	C9	H10	46.8°	60.0°
H8	C8	C9	H11	165.5°	60.0°
H9	C8	C9	H10	72.1°	NaN°
H9	C8	C9	H11	46.5°	60.0°
H10	C9	C10	H12	70.1°	180.0°
H10	C9	C10	H13	48.8°	60.0°
H11	C9	C10	H12	48.6°	59.9°
H11	C9	C10	H13	167.5°	60.0°
H14	C12	C13	H15	0.7°	0.1°
H19	C1	H20	H21	120.0°	120.0°

Release date:	2022-05-11
Definition date:	2021-10-07
Last modified:	2022-08-22
Release status:	REL
Processing site:	PDBE
Derived from:	7PWM