PRD_002211

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C19	trip	1.14Å	1.05Å
C19	C24	sing	1.47Å	1.45Å
O3	C24	sing	1.43Å	1.38Å
C24	C11	sing	1.53Å	1.49Å
C11	N3	sing	1.46Å	1.36Å
C11	C17	sing	1.53Å	1.65Å
N3	C3	sing	1.35Å	1.40Å
O1	C3	doub	1.21Å	1.21Å
C2	C7	sing	1.51Å	1.51Å
C2	C1	sing	1.53Å	1.52Å
C17	C25	sing	1.53Å	1.57Å
C3	C1	sing	1.51Å	1.51Å
C7	C12	doub	1.38Å	1.39Å	Aromatic
C7	C18	sing	1.38Å	1.39Å	Aromatic
C12	C22	sing	1.38Å	1.39Å	Aromatic
C18	C23	doub	1.38Å	1.39Å	Aromatic
C1	N1	sing	1.46Å	1.43Å
C22	C20	doub	1.38Å	1.40Å	Aromatic
C23	C20	sing	1.38Å	1.39Å	Aromatic
C25	C13	sing	1.53Å	1.32Å
C25	C15	sing	1.50Å	1.55Å
C13	C6	sing	1.53Å	1.52Å
O4	C15	doub	1.21Å	1.32Å
N1	C5	sing	1.35Å	1.43Å
C15	N4	sing	1.33Å	1.45Å
C6	C27	sing	1.53Å	1.53Å
O2	C5	doub	1.22Å	1.22Å
C5	C9	sing	1.46Å	1.53Å
N4	C27	sing	1.46Å	1.48Å
C9	C16	doub	1.35Å	1.52Å
C16	C21	sing	1.47Å	1.53Å
C21	C26	doub	1.40Å	1.40Å	Aromatic
C21	C14	sing	1.40Å	1.40Å	Aromatic
C26	C10	sing	1.38Å	1.39Å	Aromatic
C14	C8	doub	1.38Å	1.40Å	Aromatic
C10	C4	doub	1.38Å	1.40Å	Aromatic
C8	C4	sing	1.38Å	1.39Å	Aromatic
C9	H1	sing	1.08Å	1.08Å
C16	H3	sing	1.08Å	1.08Å
C14	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C4	H7	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
C26	H9	sing	1.08Å	1.08Å
N1	H10	sing	0.97Å	1.00Å
C1	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.08Å	1.08Å
C18	H15	sing	1.08Å	1.08Å
C22	H16	sing	1.08Å	1.08Å
C23	H17	sing	1.08Å	1.08Å
C20	H18	sing	1.08Å	1.08Å
C6	H19	sing	1.09Å	1.10Å
C6	H20	sing	1.09Å	1.10Å
C11	H21	sing	1.09Å	1.10Å
C13	H22	sing	1.09Å	1.10Å
C13	H23	sing	1.09Å	1.10Å
C17	H24	sing	1.09Å	1.10Å
C17	H25	sing	1.09Å	1.10Å
C24	H26	sing	1.09Å	1.10Å
C25	H27	sing	1.09Å	1.10Å
C27	H28	sing	1.09Å	1.10Å
C27	H29	sing	1.09Å	1.10Å
N3	H30	sing	0.97Å	1.00Å
N4	H31	sing	0.97Å	1.00Å
O3	H32	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C19	C24	177.9°	180.0°
C19	C24	O3	111.9°	109.5°
C19	C24	C11	109.8°	109.5°
C19	C24	H26	108.0°	109.4°
O3	C24	C11	110.5°	109.5°
O3	C24	H26	109.0°	109.5°
C24	O3	H32	109.5°	114.0°
C24	C11	N3	104.7°	109.4°
C24	C11	C17	127.6°	109.5°
C24	C11	H21	107.5°	109.4°
C11	C24	H26	107.5°	109.4°
N3	C11	C17	101.0°	109.5°
C11	N3	C3	116.8°	120.0°
N3	C11	H21	109.2°	109.5°
C11	N3	H30	121.6°	120.0°
C11	C17	C25	115.4°	109.4°
C17	C11	H21	105.8°	109.5°
C11	C17	H24	108.0°	109.5°
C11	C17	H25	108.0°	109.5°
N3	C3	O1	117.2°	119.9°
N3	C3	C1	120.5°	120.0°
C3	N3	H30	121.6°	120.0°
O1	C3	C1	122.3°	120.0°
C7	C2	C1	112.7°	109.5°
C2	C7	C12	119.7°	120.0°
C2	C7	C18	119.3°	120.0°
C7	C2	H12	108.7°	109.5°
C7	C2	H13	108.7°	109.5°
C2	C1	C3	105.7°	109.5°
C2	C1	N1	111.6°	109.5°
C2	C1	H11	108.8°	109.5°
C1	C2	H12	108.7°	109.4°
C1	C2	H13	108.7°	109.4°
C17	C25	C13	116.1°	109.4°
C17	C25	C15	108.5°	109.4°
C25	C17	H24	108.0°	109.4°
C25	C17	H25	108.0°	109.5°
C17	C25	H27	103.0°	109.4°
C3	C1	N1	111.8°	109.4°
C3	C1	H11	108.9°	109.4°
C12	C7	C18	120.9°	120.0°
C7	C12	C22	119.7°	120.0°
C7	C12	H14	120.1°	120.0°
C7	C18	C23	119.8°	120.0°
C7	C18	H15	120.1°	120.0°
C12	C22	C20	119.2°	120.0°
C22	C12	H14	120.1°	120.0°
C12	C22	H16	120.4°	120.0°
C18	C23	C20	119.4°	120.0°
C23	C18	H15	120.1°	120.0°
C18	C23	H17	120.3°	120.0°
C1	N1	C5	122.2°	120.0°
C1	N1	H10	118.9°	120.1°
N1	C1	H11	109.9°	109.5°
C22	C20	C23	121.0°	120.0°
C20	C22	H16	120.4°	120.0°
C22	C20	H18	119.5°	120.0°
C20	C23	H17	120.3°	120.0°
C23	C20	H18	119.5°	120.0°
C13	C25	C15	118.4°	109.9°
C25	C13	C6	115.7°	108.4°
C25	C13	H22	107.9°	109.7°
C25	C13	H23	107.9°	109.7°
C13	C25	H27	105.6°	109.4°
C25	C15	O4	120.6°	118.2°
C25	C15	N4	115.2°	123.5°
C15	C25	H27	103.2°	109.4°
C13	C6	C27	110.6°	108.7°
C13	C6	H19	109.2°	109.6°
C13	C6	H20	109.2°	109.7°
C6	C13	H22	107.9°	109.7°
C6	C13	H23	107.9°	109.6°
O4	C15	N4	124.2°	118.3°
N1	C5	O2	119.7°	120.0°
N1	C5	C9	120.6°	120.0°
C5	N1	H10	118.9°	120.0°
C15	N4	C27	120.3°	124.1°
C15	N4	H31	119.8°	118.0°
C6	C27	N4	109.7°	110.5°
C27	C6	H19	109.2°	109.6°
C27	C6	H20	109.2°	109.6°
C6	C27	H28	109.4°	109.3°
C6	C27	H29	109.4°	109.3°
O2	C5	C9	119.8°	120.0°
C5	C9	C16	114.1°	120.0°
C5	C9	H1	123.0°	119.9°
N4	C27	H28	109.4°	109.3°
N4	C27	H29	109.4°	109.1°
C27	N4	H31	119.8°	117.9°
C9	C16	C21	117.6°	120.0°
C16	C9	H1	122.9°	120.1°
C9	C16	H3	121.2°	120.0°
C16	C21	C26	122.0°	120.1°
C16	C21	C14	119.2°	120.2°
C21	C16	H3	121.2°	120.0°
C26	C21	C14	118.7°	119.7°
C21	C26	C10	120.2°	119.8°
C21	C26	H9	119.9°	120.1°
C21	C14	C8	121.5°	119.8°
C21	C14	H5	119.3°	120.1°
C26	C10	C4	120.6°	120.2°
C26	C10	H8	119.7°	119.9°
C10	C26	H9	119.9°	120.1°
C14	C8	C4	119.1°	120.1°
C8	C14	H5	119.2°	120.1°
C14	C8	H6	120.5°	119.9°
C10	C4	C8	119.9°	120.4°
C10	C4	H7	120.0°	119.8°
C4	C10	H8	119.7°	120.0°
C4	C8	H6	120.5°	119.9°
C8	C4	H7	120.0°	119.8°
H12	C2	H13	109.5°	109.5°
H19	C6	H20	109.5°	109.6°
H22	C13	H23	109.5°	109.7°
H24	C17	H25	109.5°	109.5°
H28	C27	H29	109.5°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C19	C24	O3	16.7°	129.4°
N2	C19	C24	C11	106.3°	9.3°
N2	C19	C24	H26	136.7°	110.6°
C19	C24	O3	C11	122.7°	120.0°
C19	C24	O3	H26	119.4°	120.0°
C19	C24	C11	H26	117.3°	119.9°
C19	C24	C11	N3	158.5°	180.0°
C19	C24	C11	C17	41.7°	60.0°
C19	C24	C11	H21	85.4°	60.0°
C19	C24	O3	H32	136.5°	180.0°
O3	C24	C11	H26	118.8°	120.0°
O3	C24	C11	N3	77.6°	60.0°
O3	C24	C11	C17	165.6°	180.0°
O3	C24	C11	H21	38.5°	60.0°
C24	C11	N3	C17	133.9°	120.0°
C24	C11	N3	H21	114.9°	120.0°
C24	C11	C17	H21	127.8°	119.9°
C24	C11	N3	C3	97.0°	91.9°
C24	C11	C17	C25	172.4°	175.3°
C24	C11	C17	H24	66.7°	64.7°
C24	C11	C17	H25	51.5°	55.3°
C24	C11	N3	H30	82.9°	88.1°
C11	C24	O3	H32	13.8°	60.0°
N3	C11	C17	H21	113.8°	120.1°
C11	N3	C3	H30	180.0°	180.0°
C11	N3	C3	O1	1.8°	0.1°
N3	C11	C17	C25	69.2°	64.7°
C11	N3	C3	C1	178.5°	180.0°
N3	C11	C17	H24	51.7°	55.2°
N3	C11	C17	H25	170.0°	175.3°
N3	C11	C24	H26	41.2°	60.0°
C17	C11	N3	C3	129.1°	148.1°
C11	C17	C25	H24	120.9°	120.0°
C11	C17	C25	H25	120.8°	120.0°
C11	C17	C25	C13	45.0°	65.1°
C11	C17	C25	C15	178.9°	174.5°
C11	C17	H24	H25	117.3°	120.0°
C17	C11	C24	H26	75.6°	60.0°
C11	C17	C25	H27	69.9°	54.7°
C17	C11	N3	H30	51.0°	31.8°
N3	C3	O1	C1	179.8°	180.0°
N3	C3	C1	C2	113.7°	60.0°
N3	C3	C1	N1	124.6°	180.0°
N3	C3	C1	H11	3.0°	60.0°
C3	N3	C11	H21	17.9°	28.1°
O1	C3	C1	C2	66.0°	120.0°
O1	C3	C1	N1	55.6°	0.0°
O1	C3	C1	H11	177.2°	120.0°
O1	C3	N3	H30	178.2°	180.0°
C7	C2	C1	H12	120.5°	120.0°
C7	C2	C1	H13	120.5°	120.1°
C7	C2	C1	C3	174.4°	175.0°
C2	C7	C12	C18	179.2°	179.7°
C2	C7	C12	C22	179.0°	180.0°
C2	C7	C18	C23	179.7°	180.0°
C7	C2	C1	N1	63.9°	65.0°
C7	C2	C1	H11	57.6°	55.1°
C7	C2	H12	H13	118.6°	120.1°
C2	C7	C12	H14	1.0°	0.0°
C2	C7	C18	H15	0.3°	0.0°
C2	C1	C3	N1	121.7°	120.0°
C2	C1	C3	H11	116.7°	120.0°
C1	C2	C7	C12	124.6°	90.0°
C1	C2	C7	C18	54.6°	90.3°
C2	C1	N1	H11	120.8°	120.1°
C2	C1	N1	C5	169.2°	85.0°
C2	C1	N1	H10	10.8°	95.0°
C1	C2	H12	H13	118.5°	119.9°
C17	C25	C13	C15	131.7°	120.1°
C17	C25	C13	H27	113.4°	119.9°
C17	C25	C15	H27	108.9°	119.8°
C17	C25	C13	C6	173.1°	169.0°
C17	C25	C15	O4	17.5°	42.4°
C17	C25	C15	N4	159.9°	137.7°
C25	C17	C11	H21	44.6°	55.4°
C17	C25	C13	H22	52.2°	71.3°
C17	C25	C13	H23	66.0°	49.3°
C25	C17	H24	H25	117.3°	120.0°
C3	C1	N1	H11	121.0°	119.9°
C3	C1	N1	C5	72.7°	155.0°
C3	C1	N1	H10	107.3°	25.0°
C3	C1	C2	H12	53.9°	65.0°
C3	C1	C2	H13	65.1°	54.9°
C1	C3	N3	H30	1.6°	0.0°
C7	C12	C22	H14	180.0°	180.0°
C12	C7	C18	C23	0.5°	0.3°
C7	C12	C22	C20	0.6°	0.0°
C12	C7	C2	H12	115.0°	30.0°
C12	C7	C2	H13	4.1°	150.0°
C12	C7	C18	H15	179.5°	179.7°
C7	C12	C22	H16	179.5°	179.9°
C18	C7	C12	C22	0.1°	0.3°
C7	C18	C23	H15	180.0°	180.0°
C7	C18	C23	C20	0.7°	NaN°
C18	C7	C2	H12	65.8°	149.7°
C18	C7	C2	H13	175.1°	29.7°
C18	C7	C12	H14	179.8°	179.7°
C7	C18	C23	H17	179.3°	180.0°
C12	C22	C20	H16	180.0°	179.9°
C12	C22	C20	C23	0.4°	0.3°
C12	C22	C20	H18	179.6°	180.0°
C18	C23	C20	C22	0.3°	0.3°
C18	C23	C20	H17	180.0°	180.0°
C18	C23	C20	H18	179.7°	180.0°
C1	N1	C5	H10	180.0°	180.0°
C1	N1	C5	O2	0.7°	0.3°
C1	N1	C5	C9	179.9°	179.9°
N1	C1	C2	H12	175.7°	55.0°
N1	C1	C2	H13	56.6°	174.9°
C22	C20	C23	H18	180.0°	179.7°
C20	C22	C12	H14	179.4°	180.0°
C22	C20	C23	H17	179.8°	179.8°
C20	C23	C18	H15	179.3°	180.0°
C23	C20	C22	H16	179.7°	179.8°
C13	C25	C15	H27	116.2°	120.1°
C25	C13	C6	H22	120.9°	119.8°
C25	C13	C6	H23	120.9°	119.7°
C13	C25	C15	O4	152.5°	162.5°
C13	C25	C15	N4	25.0°	17.7°
C25	C13	C6	C27	56.2°	67.5°
C25	C13	C6	H19	176.4°	172.7°
C25	C13	C6	H20	63.9°	52.3°
C25	C13	H22	H23	117.2°	120.6°
C13	C25	C17	H24	165.9°	174.9°
C13	C25	C17	H25	75.9°	54.9°
C15	C25	C13	C6	41.4°	48.9°
C25	C15	O4	N4	177.2°	179.9°
C25	C15	N4	C27	24.9°	2.3°
C15	C25	C13	H22	79.5°	168.7°
C15	C25	C13	H23	162.3°	70.8°
C15	C25	C17	H24	58.0°	54.5°
C15	C25	C17	H25	60.3°	65.5°
C25	C15	N4	H31	155.1°	177.7°
C13	C6	C27	H19	120.2°	119.8°
C13	C6	C27	H20	120.1°	119.9°
C13	C6	C27	N4	52.2°	50.7°
C13	C6	H19	H20	119.5°	120.5°
C6	C13	H22	H23	117.1°	120.5°
C6	C13	C25	H27	73.5°	71.2°
C13	C6	C27	H28	67.9°	69.6°
C13	C6	C27	H29	172.2°	170.8°
O4	C15	N4	C27	152.4°	177.8°
O4	C15	C25	H27	91.4°	77.4°
O4	C15	N4	H31	27.5°	2.1°
N1	C5	O2	C9	179.3°	179.8°
N1	C5	C9	C16	89.9°	179.7°
N1	C5	C9	H1	90.1°	0.2°
C5	N1	C1	H11	48.4°	35.1°
C15	N4	C27	C6	39.8°	19.1°
C15	N4	C27	H31	180.0°	179.9°
N4	C15	C25	H27	91.2°	102.4°
C15	N4	C27	H28	80.2°	101.2°
C15	N4	C27	H29	159.9°	139.3°
C6	C27	N4	H28	120.1°	120.3°
C6	C27	N4	H29	120.0°	120.2°
C27	C6	H19	H20	119.5°	120.2°
C27	C6	C13	H22	64.7°	172.7°
C27	C6	C13	H23	177.1°	52.2°
C6	C27	H28	H29	119.9°	119.6°
C6	C27	N4	H31	140.2°	161.0°
O2	C5	C9	C16	90.9°	0.0°
O2	C5	C9	H1	89.1°	180.0°
O2	C5	N1	H10	179.3°	179.7°
C5	C9	C16	H1	180.0°	180.0°
C5	C9	C16	C21	159.8°	179.9°
C5	C9	C16	H3	20.2°	0.0°
C9	C5	N1	H10	0.1°	0.1°
N4	C27	C6	H19	172.4°	170.5°
N4	C27	C6	H20	68.0°	69.2°
N4	C27	H28	H29	119.9°	119.3°
C9	C16	C21	H3	180.0°	180.0°
C9	C16	C21	C26	23.0°	180.0°
C9	C16	C21	C14	157.5°	0.3°
C16	C21	C26	C14	179.5°	179.7°
C16	C21	C26	C10	179.4°	179.7°
C16	C21	C14	C8	179.4°	179.9°
C21	C16	C9	H1	20.2°	0.0°
C16	C21	C14	H5	0.5°	0.0°
C16	C21	C26	H9	0.6°	0.0°
C21	C26	C10	H9	180.0°	179.7°
C26	C21	C14	C8	0.1°	0.2°
C21	C26	C10	C4	0.1°	0.6°
C26	C21	C16	H3	156.9°	0.0°
C26	C21	C14	H5	179.9°	179.7°
C21	C26	C10	H8	179.9°	179.7°
C14	C21	C26	C10	0.1°	0.6°
C21	C14	C8	H5	180.0°	180.0°
C21	C14	C8	C4	0.1°	0.1°
C14	C21	C16	H3	22.6°	179.7°
C21	C14	C8	H6	179.9°	180.0°
C14	C21	C26	H9	179.9°	179.7°
C26	C10	C4	H8	180.0°	179.7°
C26	C10	C4	C8	0.1°	0.3°
C26	C10	C4	H7	179.9°	179.7°
C14	C8	C4	C10	0.1°	0.0°
C14	C8	C4	H6	180.0°	179.9°
C14	C8	C4	H7	179.9°	179.9°
C10	C4	C8	H7	180.0°	180.0°
C10	C4	C8	H6	179.9°	179.9°
C4	C10	C26	H9	179.9°	179.7°
C4	C8	C14	H5	179.9°	180.0°
C8	C4	C10	H8	179.9°	180.0°
H1	C9	C16	H3	159.8°	180.0°
H5	C14	C8	H6	0.1°	0.1°
H6	C8	C4	H7	0.1°	0.0°
H7	C4	C10	H8	0.1°	0.0°
H8	C10	C26	H9	0.1°	0.0°
H10	N1	C1	H11	131.7°	144.9°
H11	C1	C2	H12	62.8°	175.1°
H11	C1	C2	H13	178.1°	65.0°
H14	C12	C22	H16	0.6°	0.0°
H15	C18	C23	H17	0.7°	0.0°
H16	C22	C20	H18	0.3°	0.0°
H17	C23	C20	H18	0.2°	0.0°
H19	C6	C13	H22	55.5°	52.9°
H19	C6	C13	H23	62.7°	67.6°
H19	C6	C27	H28	52.3°	50.3°
H19	C6	C27	H29	67.6°	69.3°
H20	C6	C13	H22	175.2°	67.4°
H20	C6	C13	H23	57.0°	172.0°
H20	C6	C27	H28	172.0°	170.5°
H20	C6	C27	H29	52.1°	50.9°
H21	C11	C17	H24	165.5°	175.3°
H21	C11	C17	H25	76.3°	64.6°
H21	C11	C24	H26	157.3°	179.9°
H21	C11	N3	H30	162.2°	151.9°
H22	C13	C25	H27	165.6°	48.6°
H23	C13	C25	H27	47.4°	169.1°
H24	C17	C25	H27	51.0°	65.3°
H25	C17	C25	H27	169.3°	174.7°
H26	C24	O3	H32	104.1°	60.0°
H28	C27	N4	H31	99.8°	78.7°
H29	C27	N4	H31	20.1°	40.7°

Release date:	2015-12-09
Last modified:	2015-12-09
Processing site:	RCSB
Sub-components:	TCA PHE 4UG