A1A0Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C4	sing	1.53Å	1.52Å
C3	C4	sing	1.54Å	1.53Å
C3	C2	sing	1.55Å	1.52Å
C4	C5	sing	1.53Å	1.53Å
C4	N1	sing	1.47Å	1.46Å
C2	C1	sing	1.51Å	1.48Å
N1	C1	sing	1.34Å	1.42Å
N1	N2	sing	1.40Å	1.33Å
C1	O1	doub	1.21Å	1.21Å
N2	C7	sing	1.38Å	1.37Å
C16	C15	doub	1.38Å	1.38Å	Aromatic
C16	C11	sing	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.39Å	1.38Å	Aromatic
C7	C10	sing	1.40Å	1.38Å	Aromatic
C7	N3	doub	1.33Å	1.34Å	Aromatic
C11	C10	sing	1.47Å	1.41Å	Aromatic
C11	C12	doub	1.40Å	1.42Å	Aromatic
C14	F1	sing	1.35Å	1.31Å
C14	C13	doub	1.38Å	1.38Å	Aromatic
C10	C9	doub	1.40Å	1.40Å	Aromatic
N3	C8	sing	1.32Å	1.35Å	Aromatic
C12	C13	sing	1.39Å	1.40Å	Aromatic
C12	N5	sing	1.38Å	1.41Å	Aromatic
C9	N5	sing	1.37Å	1.40Å	Aromatic
C9	N4	sing	1.33Å	1.34Å	Aromatic
C8	N4	doub	1.32Å	1.32Å	Aromatic
N2	H11	sing	0.97Å	1.00Å
C3	H4	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C13	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C8	H12	sing	1.08Å	1.08Å
N5	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C4	C3	112.9°	110.2°
C6	C4	C5	111.5°	110.2°
C6	C4	N1	109.4°	110.2°
C4	C6	H10	109.5°	109.4°
C4	C6	H9	109.4°	109.4°
C4	C6	H8	109.5°	109.5°
C4	C3	C2	105.4°	101.7°
C3	C4	C5	113.6°	110.2°
C3	C4	N1	101.8°	105.5°
C4	C3	H4	110.5°	111.0°
C4	C3	H3	110.5°	110.9°
C3	C2	C1	104.3°	104.2°
C2	C3	H4	110.5°	111.0°
C2	C3	H3	110.5°	111.0°
C3	C2	H1	110.8°	110.5°
C3	C2	H2	110.8°	110.5°
C5	C4	N1	107.0°	110.3°
C4	C5	H5	109.5°	109.5°
C4	C5	H7	109.5°	109.5°
C4	C5	H6	109.5°	109.5°
C4	N1	C1	113.2°	111.3°
C4	N1	N2	119.8°	124.3°
C2	C1	N1	107.2°	110.1°
C2	C1	O1	125.7°	124.9°
C1	C2	H1	110.8°	110.5°
C1	C2	H2	110.8°	110.5°
C1	N1	N2	126.9°	124.4°
N1	C1	O1	127.0°	125.0°
N1	N2	C7	127.7°	120.0°
N1	N2	H11	104.7°	120.0°
N2	C7	C10	119.8°	120.7°
N2	C7	N3	118.8°	120.7°
C7	N2	H11	104.7°	120.0°
C15	C16	C11	120.7°	119.9°
C16	C15	C14	120.4°	120.2°
C16	C15	H15	119.8°	119.9°
C15	C16	H16	119.6°	120.0°
C16	C11	C10	136.9°	133.7°
C16	C11	C12	115.7°	120.0°
C11	C16	H16	119.6°	120.1°
C15	C14	F1	117.4°	119.7°
C15	C14	C13	123.6°	120.5°
C14	C15	H15	119.8°	119.9°
C10	C7	N3	121.4°	118.5°
C7	C10	C11	140.7°	134.7°
C7	C10	C9	113.2°	118.7°
C7	N3	C8	117.8°	120.9°
C10	C11	C12	107.4°	106.3°
C11	C10	C9	106.0°	106.6°
C11	C12	C13	125.8°	119.4°
C11	C12	N5	109.8°	108.3°
F1	C14	C13	119.0°	119.8°
C14	C13	C12	113.7°	120.0°
C14	C13	H14	123.1°	120.0°
C10	C9	N5	112.0°	108.4°
C10	C9	N4	128.8°	118.4°
N3	C8	N4	127.9°	122.6°
N3	C8	H12	116.0°	118.7°
C13	C12	N5	124.4°	132.3°
C12	C13	H14	123.2°	120.0°
C12	N5	C9	104.8°	110.4°
C12	N5	H13	127.6°	124.8°
N5	C9	N4	119.3°	133.1°
C9	N5	H13	127.6°	124.7°
C9	N4	C8	110.9°	120.8°
N4	C8	H12	116.1°	118.7°
H4	C3	H3	109.4°	110.9°
H10	C6	H9	109.5°	109.5°
H10	C6	H8	109.5°	109.5°
H9	C6	H8	109.5°	109.5°
H1	C2	H2	109.5°	110.5°
H5	C5	H7	109.4°	109.4°
H5	C5	H6	109.4°	109.5°
H7	C5	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C4	C3	C5	128.2°	121.9°
C6	C4	C3	N1	117.2°	119.0°
C6	C4	C3	C2	90.7°	93.6°
C6	C4	C5	N1	119.6°	122.0°
C6	C4	N1	C1	103.4°	102.0°
C6	C4	N1	N2	78.3°	78.0°
C6	C4	C3	H4	28.7°	148.3°
C6	C4	C3	H3	149.9°	24.5°
C4	C6	H10	H9	120.0°	119.9°
C4	C6	H10	H8	120.0°	120.0°
C4	C6	H9	H8	120.0°	120.0°
C6	C4	C5	H5	180.0°	61.9°
C6	C4	C5	H7	60.0°	58.1°
C6	C4	C5	H6	60.0°	178.1°
C4	C3	C2	H4	119.4°	118.1°
C4	C3	C2	H3	119.4°	118.1°
C3	C4	C5	N1	111.5°	116.1°
C4	C3	C2	C1	27.7°	24.8°
C3	C4	N1	C1	16.4°	17.0°
C3	C4	N1	N2	162.0°	163.0°
C4	C3	H4	H3	121.9°	123.8°
C3	C4	C6	H10	180.0°	60.0°
C3	C4	C6	H9	60.0°	180.0°
C3	C4	C6	H8	60.0°	60.0°
C4	C3	C2	H1	91.4°	93.9°
C4	C3	C2	H2	146.9°	143.5°
C3	C4	C5	H5	51.1°	60.0°
C3	C4	C5	H7	68.9°	180.0°
C3	C4	C5	H6	171.1°	60.0°
C2	C3	C4	C5	141.1°	144.5°
C2	C3	C4	N1	26.5°	25.4°
C3	C2	C1	H1	119.2°	118.7°
C3	C2	C1	H2	119.2°	118.7°
C3	C2	C1	N1	17.9°	16.3°
C3	C2	C1	O1	163.1°	163.8°
C2	C3	H4	H3	121.9°	123.9°
C3	C2	H1	H2	122.4°	122.6°
C5	C4	N1	C1	135.7°	136.1°
C5	C4	N1	N2	42.6°	43.9°
C5	C4	C3	H4	99.5°	26.4°
C5	C4	C3	H3	21.8°	97.4°
C5	C4	C6	H10	50.7°	178.1°
C5	C4	C6	H9	69.3°	58.1°
C5	C4	C6	H8	170.8°	61.9°
C4	C5	H5	H7	120.0°	120.0°
C4	C5	H5	H6	120.0°	120.1°
C4	C5	H7	H6	120.0°	120.0°
C4	N1	C1	C2	0.8°	0.4°
C4	N1	C1	N2	178.2°	180.0°
C4	N1	C1	O1	179.8°	179.5°
C4	N1	N2	C7	119.8°	105.0°
C4	N1	N2	H11	2.6°	74.8°
N1	C4	C3	H4	145.9°	92.7°
N1	C4	C3	H3	92.8°	143.5°
N1	C4	C6	H10	67.4°	56.1°
N1	C4	C6	H9	172.6°	63.9°
N1	C4	C6	H8	52.6°	176.0°
N1	C4	C5	H5	60.4°	176.1°
N1	C4	C5	H7	179.6°	63.9°
N1	C4	C5	H6	59.6°	56.1°
C2	C1	N1	O1	179.0°	179.9°
C2	C1	N1	N2	179.0°	179.6°
C1	C2	C3	H4	147.1°	93.3°
C1	C2	C3	H3	91.6°	142.9°
C1	C2	H1	H2	122.4°	122.6°
C1	N1	N2	C7	58.3°	75.0°
C1	N1	N2	H11	179.3°	105.2°
N1	C1	C2	H1	101.3°	102.5°
N1	C1	C2	H2	137.0°	135.0°
N2	N1	C1	O1	1.9°	0.5°
N1	N2	C7	H11	122.4°	179.8°
N1	N2	C7	C10	170.3°	179.7°
N1	N2	C7	N3	8.5°	0.2°
O1	C1	C2	H1	77.7°	77.4°
O1	C1	C2	H2	43.9°	45.1°
N2	C7	C10	N3	178.8°	179.9°
N2	C7	C10	C11	0.6°	0.1°
N2	C7	C10	C9	178.9°	180.0°
N2	C7	N3	C8	179.8°	179.9°
C15	C16	C11	H16	180.0°	180.0°
C16	C15	C14	H15	180.0°	179.9°
C15	C16	C11	C10	179.8°	180.0°
C15	C16	C11	C12	0.4°	0.0°
C16	C15	C14	F1	180.0°	180.0°
C16	C15	C14	C13	0.9°	0.1°
C11	C16	C15	C14	0.8°	0.1°
C16	C11	C10	C7	0.3°	0.0°
C16	C11	C10	C12	179.8°	180.0°
C16	C11	C10	C9	179.9°	180.0°
C16	C11	C12	C13	0.2°	0.0°
C16	C11	C12	N5	179.9°	180.0°
C11	C16	C15	H15	179.2°	180.0°
C15	C14	F1	C13	179.1°	179.9°
C15	C14	C13	C12	0.6°	0.1°
C15	C14	C13	H14	179.3°	179.9°
C14	C15	C16	H16	179.2°	179.9°
C7	C10	C11	C9	179.6°	179.9°
C7	C10	C11	C12	179.5°	180.0°
C10	C7	N3	C8	1.1°	0.0°
C7	C10	C9	N5	179.6°	180.0°
C7	C10	C9	N4	0.0°	0.3°
C10	C7	N2	H11	67.3°	0.1°
N3	C7	C10	C11	179.4°	180.0°
N3	C7	C10	C9	0.1°	0.0°
C7	N3	C8	N4	2.1°	0.3°
N3	C7	N2	H11	113.9°	180.0°
C7	N3	C8	H12	177.9°	179.7°
C10	C11	C12	C13	180.0°	179.9°
C10	C11	C12	N5	0.1°	0.0°
C11	C10	C9	N5	0.1°	0.0°
C11	C10	C9	N4	179.7°	179.7°
C10	C11	C16	H16	0.2°	0.0°
C11	C12	C13	C14	0.3°	0.0°
C12	C11	C10	C9	0.1°	0.1°
C11	C12	C13	N5	179.9°	180.0°
C11	C12	N5	C9	0.0°	0.0°
C11	C12	C13	H14	179.7°	180.0°
C12	C11	C16	H16	179.5°	180.0°
C11	C12	N5	H13	180.0°	179.7°
F1	C14	C13	C12	179.7°	180.0°
F1	C14	C13	H14	0.3°	0.0°
F1	C14	C15	H15	0.0°	0.1°
C14	C13	C12	H14	180.0°	180.0°
C14	C13	C12	N5	179.8°	180.0°
C13	C14	C15	H15	179.1°	180.0°
C10	C9	N5	C12	0.1°	0.0°
C10	C9	N5	N4	179.6°	179.6°
C10	C9	N4	C8	0.8°	0.6°
C10	C9	N5	H13	180.0°	179.7°
N3	C8	N4	C9	1.9°	0.6°
N3	C8	N4	H12	180.0°	179.5°
C13	C12	N5	C9	179.9°	180.0°
C13	C12	N5	H13	0.1°	0.2°
C12	N5	C9	H13	180.0°	179.7°
C12	N5	C9	N4	179.7°	179.7°
N5	C12	C13	H14	0.2°	0.0°
N5	C9	N4	C8	179.6°	179.8°
C9	N4	C8	H12	178.1°	180.0°
N4	C9	N5	H13	0.3°	0.1°
H4	C3	C2	H1	27.9°	148.0°
H4	C3	C2	H2	93.7°	25.4°
H3	C3	C2	H1	149.2°	24.2°
H3	C3	C2	H2	27.5°	98.4°
H10	C6	H9	H8	120.0°	120.1°
H15	C15	C16	H16	0.8°	0.0°
H5	C5	H7	H6	119.9°	119.9°

Release date:	2025-08-20
Definition date:	2024-08-02
Last modified:	2025-08-15
Release status:	REL
Processing site:	RCSB
Derived from:	7HCA