2YQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C4	doub	1.22Å	1.23Å
C4	N2	sing	1.35Å	1.31Å
C4	C1	sing	1.47Å	1.39Å
N2	N1	sing	1.40Å	1.40Å
C10	C1	doub	1.39Å	1.39Å	Aromatic
C10	C9	sing	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.41Å	1.40Å	Aromatic
F1	C9	sing	1.35Å	1.32Å
C9	C8	doub	1.39Å	1.37Å	Aromatic
N1	C3	doub	1.30Å	1.33Å
C2	C3	sing	1.46Å	1.38Å
C2	C7	doub	1.40Å	1.38Å	Aromatic
C3	C5	sing	1.51Å	1.48Å
C8	C7	sing	1.38Å	1.39Å	Aromatic
C7	N3	sing	1.40Å	1.33Å
C19	N4	sing	1.46Å	1.49Å
C5	C17	sing	1.51Å	1.45Å
C5	C6	sing	1.53Å	1.53Å
N3	C6	sing	1.47Å	1.46Å
N4	C17	sing	1.34Å	1.34Å	Aromatic
N4	N5	sing	1.40Å	1.40Å	Aromatic
C12	C13	doub	1.38Å	1.40Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C17	N6	doub	1.31Å	1.35Å	Aromatic
C6	C11	sing	1.51Å	1.49Å
C13	C14	sing	1.39Å	1.38Å	Aromatic
N5	C18	doub	1.31Å	1.35Å	Aromatic
C11	C16	doub	1.38Å	1.38Å	Aromatic
N6	C18	sing	1.33Å	1.36Å	Aromatic
C14	F2	sing	1.35Å	1.33Å
C14	C15	doub	1.38Å	1.38Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
N3	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C19	H11	sing	1.09Å	1.10Å
C19	H12	sing	1.09Å	1.10Å
C19	H13	sing	1.09Å	1.10Å
N2	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C4	N2	118.1°	120.7°
O	C4	C1	123.0°	120.7°
N2	C4	C1	118.9°	118.6°
C4	N2	N1	122.1°	122.1°
C4	N2	H14	119.0°	118.9°
C4	C1	C10	120.7°	122.7°
C4	C1	C2	119.1°	117.8°
N2	N1	C3	120.8°	122.5°
N1	N2	H14	118.9°	119.0°
C1	C10	C9	118.3°	119.7°
C10	C1	C2	120.1°	119.5°
C1	C10	H5	120.9°	120.1°
C10	C9	F1	120.9°	119.4°
C10	C9	C8	121.3°	121.0°
C9	C10	H5	120.8°	120.2°
C1	C2	C3	120.4°	119.3°
C1	C2	C7	120.6°	120.0°
F1	C9	C8	117.7°	119.5°
C9	C8	C7	120.4°	120.3°
C9	C8	H4	119.8°	119.9°
N1	C3	C2	118.6°	119.7°
N1	C3	C5	120.2°	121.2°
C3	C2	C7	119.0°	120.7°
C2	C3	C5	121.1°	119.1°
C2	C7	C8	119.1°	119.5°
C2	C7	N3	122.0°	118.4°
C3	C5	C17	115.4°	109.5°
C3	C5	C6	112.2°	109.6°
C3	C5	H2	106.9°	109.5°
C8	C7	N3	118.4°	122.1°
C7	C8	H4	119.8°	119.8°
C7	N3	C6	121.2°	118.1°
C7	N3	H1	106.5°	120.9°
C19	N4	C17	134.0°	126.9°
C19	N4	N5	115.5°	126.8°
N4	C19	H11	109.5°	109.5°
N4	C19	H12	109.5°	109.5°
N4	C19	H13	109.5°	109.5°
C17	C5	C6	108.4°	109.5°
C5	C17	N4	123.7°	125.9°
C5	C17	N6	129.0°	125.9°
C17	C5	H2	107.2°	109.4°
C5	C6	N3	109.4°	109.5°
C5	C6	C11	104.0°	109.4°
C6	C5	H2	106.3°	109.5°
C5	C6	H3	108.9°	109.5°
N3	C6	C11	114.9°	109.5°
C6	N3	H1	106.4°	121.0°
N3	C6	H3	109.8°	109.5°
C17	N4	N5	110.4°	106.3°
N4	C17	N6	107.0°	108.1°
N4	N5	C18	103.9°	106.8°
C13	C12	C11	121.3°	120.0°
C12	C13	C14	119.3°	120.0°
C12	C13	H6	120.3°	120.0°
C13	C12	H8	119.4°	120.0°
C12	C11	C6	121.0°	120.0°
C12	C11	C16	119.4°	120.0°
C11	C12	H8	119.4°	119.9°
C17	N6	C18	107.9°	109.8°
C6	C11	C16	119.5°	120.0°
C11	C6	H3	109.5°	109.5°
C13	C14	F2	121.6°	120.0°
C13	C14	C15	119.0°	119.9°
C14	C13	H6	120.3°	120.0°
N5	C18	N6	110.6°	109.0°
N5	C18	H10	124.7°	125.5°
C11	C16	C15	119.0°	120.0°
C11	C16	H9	120.5°	120.1°
N6	C18	H10	124.7°	125.5°
F2	C14	C15	119.4°	120.0°
C14	C15	C16	122.0°	120.0°
C14	C15	H7	119.0°	120.0°
C16	C15	H7	119.0°	120.0°
C15	C16	H9	120.5°	119.9°
H11	C19	H12	109.5°	109.5°
H11	C19	H13	109.5°	109.4°
H12	C19	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C4	N2	C1	179.6°	180.0°
O	C4	N2	N1	179.9°	179.3°
O	C4	C1	C10	2.0°	0.2°
O	C4	C1	C2	178.7°	179.9°
O	C4	N2	H14	0.1°	0.7°
C4	N2	N1	H14	180.0°	180.0°
N2	C4	C1	C10	178.4°	179.9°
N2	C4	C1	C2	1.7°	0.0°
C4	N2	N1	C3	0.0°	0.6°
C1	C4	N2	N1	0.5°	0.7°
C4	C1	C10	C2	176.7°	179.9°
C4	C1	C10	C9	178.8°	179.6°
C4	C1	C2	C3	2.6°	0.9°
C4	C1	C2	C7	176.6°	179.0°
C4	C1	C10	H5	1.3°	0.3°
C1	C4	N2	H14	179.5°	179.3°
N2	N1	C3	C2	0.8°	0.3°
N2	N1	C3	C5	178.0°	179.3°
C1	C10	C9	H5	180.0°	179.9°
C1	C10	C9	F1	176.5°	179.8°
C1	C10	C9	C8	2.0°	0.2°
C10	C1	C2	C3	179.3°	179.0°
C10	C1	C2	C7	0.2°	1.1°
C9	C10	C1	C2	2.1°	0.5°
C10	C9	F1	C8	178.6°	180.0°
C10	C9	C8	C7	0.4°	0.2°
C10	C9	C8	H4	179.6°	179.9°
C1	C2	C3	N1	2.1°	1.1°
C1	C2	C3	C7	179.1°	179.9°
C1	C2	C3	C5	179.2°	178.6°
C1	C2	C7	C8	2.6°	1.2°
C1	C2	C7	N3	175.0°	178.8°
C2	C1	C10	H5	177.9°	179.6°
F1	C9	C8	C7	179.0°	179.8°
F1	C9	C8	H4	1.1°	0.2°
F1	C9	C10	H5	3.5°	0.3°
C9	C8	C7	C2	2.7°	0.5°
C9	C8	C7	H4	180.0°	180.0°
C9	C8	C7	N3	175.4°	179.4°
C8	C9	C10	H5	178.0°	179.8°
N1	C3	C2	C5	177.1°	179.7°
N1	C3	C2	C7	177.0°	178.8°
N1	C3	C5	C17	33.3°	88.3°
N1	C3	C5	C6	158.0°	151.6°
N1	C3	C5	H2	85.8°	31.6°
C3	N1	N2	H14	180.0°	179.4°
C3	C2	C7	C8	178.3°	179.0°
C3	C2	C7	N3	5.9°	1.1°
C2	C3	C5	C17	149.7°	91.4°
C2	C3	C5	C6	24.9°	28.7°
C2	C3	C5	H2	91.3°	148.7°
C7	C2	C3	C5	0.1°	1.5°
C2	C7	C8	N3	172.7°	179.9°
C2	C7	N3	C6	16.5°	26.7°
C2	C7	N3	H1	105.1°	153.3°
C2	C7	C8	H4	177.3°	179.5°
C3	C5	C17	C6	126.7°	120.1°
C3	C5	C17	H2	118.9°	120.0°
C3	C5	C6	H2	116.5°	120.0°
C3	C5	C6	N3	42.0°	52.3°
C3	C5	C17	N4	123.1°	119.6°
C3	C5	C17	N6	62.9°	60.0°
C3	C5	C6	C11	165.3°	67.7°
C3	C5	C6	H3	78.0°	172.3°
C8	C7	N3	C6	156.0°	153.2°
C8	C7	N3	H1	82.4°	26.8°
C7	N3	C6	C5	40.3°	54.4°
C7	N3	C6	H1	121.6°	180.0°
C7	N3	C6	C11	156.9°	65.6°
C7	N3	C6	H3	79.2°	174.4°
N3	C7	C8	H4	4.6°	0.6°
C19	N4	C17	C5	4.5°	0.0°
C19	N4	C17	N5	177.1°	179.9°
C19	N4	C17	N6	179.6°	179.7°
C19	N4	N5	C18	179.4°	179.7°
N4	C19	H11	H12	120.0°	120.1°
N4	C19	H11	H13	120.0°	120.0°
N4	C19	H12	H13	120.0°	120.0°
C17	C5	C6	H2	115.0°	119.9°
C17	C5	C6	N3	170.5°	67.7°
C5	C17	N4	N6	175.1°	179.7°
C5	C17	N4	N5	178.4°	179.9°
C17	C5	C6	C11	66.2°	172.3°
C5	C17	N6	C18	177.1°	180.0°
C17	C5	C6	H3	50.5°	52.3°
C5	C6	N3	C11	116.6°	120.0°
C5	C6	N3	H3	119.5°	120.0°
C6	C5	C17	N4	110.2°	120.3°
C5	C6	C11	C12	80.8°	117.9°
C6	C5	C17	N6	63.8°	60.1°
C5	C6	C11	H3	116.3°	120.0°
C5	C6	C11	C16	95.7°	62.2°
C5	C6	N3	H1	81.3°	125.6°
N3	C6	C11	C12	38.8°	2.1°
N3	C6	C11	H3	124.1°	120.0°
N3	C6	C11	C16	144.7°	177.8°
N3	C6	C5	H2	74.5°	172.4°
C17	N4	N5	C18	2.9°	0.4°
N4	C17	N6	C18	2.3°	0.3°
N4	C17	C5	H2	4.2°	0.3°
C17	N4	C19	H11	177.0°	90.0°
C17	N4	C19	H12	57.0°	150.0°
C17	N4	C19	H13	63.0°	29.9°
N5	N4	C17	N6	3.3°	0.4°
N4	N5	C18	N6	1.4°	0.2°
N4	N5	C18	H10	178.5°	179.8°
N5	N4	C19	H11	0.0°	89.9°
N5	N4	C19	H12	120.0°	30.1°
N5	N4	C19	H13	120.0°	150.2°
C13	C12	C11	H8	180.0°	180.0°
C13	C12	C11	C6	176.6°	179.9°
C12	C13	C14	H6	180.0°	179.7°
C13	C12	C11	C16	0.0°	0.0°
C12	C13	C14	F2	178.5°	179.7°
C12	C13	C14	C15	1.0°	0.2°
C12	C11	C6	C16	176.6°	179.9°
C11	C12	C13	C14	0.5°	0.0°
C12	C11	C16	C15	0.0°	0.3°
C12	C11	C6	H3	162.9°	122.1°
C11	C12	C13	H6	179.5°	179.7°
C12	C11	C16	H9	180.0°	179.8°
C17	N6	C18	N5	0.5°	0.0°
N6	C17	C5	H2	178.2°	180.0°
C17	N6	C18	H10	179.5°	179.9°
C6	C11	C16	C15	176.6°	179.8°
C11	C6	N3	H1	35.3°	114.4°
C11	C6	C5	H2	48.8°	52.4°
C6	C11	C12	H8	3.5°	0.0°
C6	C11	C16	H9	3.4°	0.2°
C13	C14	F2	C15	177.5°	180.0°
C13	C14	C15	C16	1.0°	0.5°
C13	C14	C15	H7	179.0°	179.9°
C14	C13	C12	H8	179.5°	180.0°
N5	C18	N6	H10	180.0°	179.9°
C11	C16	C15	C14	0.5°	0.5°
C11	C16	C15	H9	180.0°	179.9°
C16	C11	C6	H3	20.6°	57.8°
C11	C16	C15	H7	179.5°	179.9°
C16	C11	C12	H8	180.0°	180.0°
F2	C14	C15	C16	178.5°	179.5°
F2	C14	C13	H6	1.5°	0.0°
F2	C14	C15	H7	1.5°	0.1°
C14	C15	C16	H7	180.0°	179.5°
C15	C14	C13	H6	179.0°	180.0°
C14	C15	C16	H9	179.5°	179.5°
H1	N3	C6	H3	159.2°	5.6°
H2	C5	C6	H3	165.5°	67.6°
H6	C13	C12	H8	0.5°	0.3°
H7	C15	C16	H9	0.5°	0.0°
H11	C19	H12	H13	120.0°	120.0°

Release date:	2014-09-24
Definition date:	2014-05-13
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	4PJT