5Y8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O27	C26	doub	1.21Å	1.21Å
N25	C26	sing	1.35Å	1.35Å
N25	C24	sing	1.47Å	1.47Å
C26	C22	sing	1.51Å	1.51Å
CL	C16	sing	1.74Å	1.73Å
C21	C22	sing	1.53Å	1.53Å
C21	C20	sing	1.53Å	1.54Å
C24	C23	sing	1.55Å	1.54Å
C22	C28	sing	1.53Å	1.53Å
C22	C23	sing	1.54Å	1.55Å
N15	C14	sing	1.39Å	1.39Å
C20	N19	sing	1.47Å	1.47Å
C28	C29	sing	1.53Å	1.54Å
C16	C14	doub	1.39Å	1.39Å	Aromatic
C16	C18	sing	1.39Å	1.40Å	Aromatic
C14	N13	sing	1.33Å	1.33Å	Aromatic
N19	C18	sing	1.39Å	1.39Å
N19	C29	sing	1.47Å	1.47Å
C18	C11	doub	1.41Å	1.42Å	Aromatic
N13	C12	doub	1.32Å	1.32Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C11	C7	sing	1.48Å	1.48Å
C6	C7	doub	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.40Å	1.41Å	Aromatic
C7	C8	sing	1.40Å	1.40Å	Aromatic
C5	C4	sing	1.46Å	1.46Å	Aromatic
C5	C10	doub	1.41Å	1.41Å	Aromatic
C8	C9	doub	1.36Å	1.37Å	Aromatic
C4	N3	doub	1.30Å	1.30Å	Aromatic
C10	C9	sing	1.39Å	1.40Å	Aromatic
C10	N2	sing	1.37Å	1.37Å	Aromatic
N3	N2	sing	1.40Å	1.40Å	Aromatic
N2	C1	sing	1.46Å	1.46Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.09Å	1.10Å
C21	H9	sing	1.09Å	1.10Å
C23	H10	sing	1.09Å	1.10Å
C23	H11	sing	1.09Å	1.10Å
C24	H12	sing	1.09Å	1.10Å
C24	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.08Å	1.08Å
N15	H15	sing	0.97Å	1.00Å
N15	H16	sing	0.97Å	1.00Å
C20	H17	sing	1.09Å	1.10Å
C20	H18	sing	1.09Å	1.10Å
N25	H19	sing	0.97Å	1.00Å
C28	H20	sing	1.09Å	1.10Å
C28	H21	sing	1.09Å	1.10Å
C29	H22	sing	1.09Å	1.10Å
C29	H23	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O27	C26	N25	124.7°	125.0°
O27	C26	C22	125.3°	125.1°
C26	N25	C24	111.2°	111.3°
N25	C26	C22	109.9°	109.9°
C26	N25	H19	124.4°	124.4°
N25	C24	C23	104.9°	105.5°
N25	C24	H12	110.6°	110.3°
N25	C24	H13	110.6°	110.3°
C24	N25	H19	124.4°	124.3°
C26	C22	C21	110.0°	110.6°
C26	C22	C28	109.2°	110.6°
C26	C22	C23	103.7°	104.8°
CL	C16	C14	118.6°	120.4°
CL	C16	C18	121.9°	120.5°
C22	C21	C20	112.1°	109.3°
C21	C22	C28	110.4°	110.5°
C21	C22	C23	111.6°	110.1°
C22	C21	H8	108.8°	109.5°
C22	C21	H9	108.8°	109.5°
C21	C20	N19	111.8°	109.4°
C20	C21	H8	108.8°	109.5°
C20	C21	H9	108.8°	109.5°
C21	C20	H17	108.9°	109.5°
C21	C20	H18	108.9°	109.5°
C24	C23	C22	101.5°	101.6°
C24	C23	H10	111.4°	111.0°
C24	C23	H11	111.5°	111.0°
C23	C24	H12	110.6°	110.3°
C23	C24	H13	110.6°	110.2°
C28	C22	C23	111.7°	110.1°
C22	C28	C29	111.7°	109.3°
C22	C28	H20	108.9°	109.5°
C22	C28	H21	108.9°	109.5°
C22	C23	H10	111.4°	111.0°
C22	C23	H11	111.4°	111.0°
N15	C14	C16	119.7°	119.6°
N15	C14	N13	119.3°	119.5°
C14	N15	H15	109.5°	120.0°
C14	N15	H16	109.4°	120.0°
C20	N19	C18	120.3°	111.0°
C20	N19	C29	119.5°	111.3°
N19	C20	H17	108.8°	109.5°
N19	C20	H18	108.9°	109.5°
C28	C29	N19	110.4°	109.4°
C29	C28	H20	108.9°	109.5°
C29	C28	H21	108.9°	109.5°
C28	C29	H22	109.2°	109.5°
C28	C29	H23	109.2°	109.5°
C14	C16	C18	119.5°	119.1°
C16	C14	N13	121.0°	120.9°
C16	C18	N19	121.7°	120.9°
C16	C18	C11	117.6°	118.3°
C14	N13	C12	121.5°	121.9°
C18	N19	C29	120.1°	111.0°
N19	C18	C11	120.7°	120.9°
N19	C29	H22	109.2°	109.4°
N19	C29	H23	109.2°	109.5°
C18	C11	C12	118.7°	119.0°
C18	C11	C7	123.3°	120.5°
N13	C12	C11	121.6°	120.8°
N13	C12	H7	119.2°	119.6°
C12	C11	C7	118.0°	120.5°
C11	C12	H7	119.2°	119.6°
C11	C7	C6	120.5°	119.9°
C11	C7	C8	119.5°	119.9°
C7	C6	C5	119.8°	119.4°
C6	C7	C8	120.0°	120.2°
C7	C6	H5	120.1°	120.3°
C6	C5	C4	134.1°	133.9°
C6	C5	C10	119.7°	119.8°
C5	C6	H5	120.1°	120.4°
C7	C8	C9	120.5°	120.7°
C7	C8	H6	119.7°	119.6°
C4	C5	C10	106.2°	106.3°
C5	C4	N3	107.7°	107.8°
C5	C4	H4	126.2°	126.1°
C5	C10	C9	119.3°	119.7°
C5	C10	N2	106.7°	106.7°
C8	C9	C10	120.7°	120.1°
C9	C8	H6	119.8°	119.6°
C8	C9	H14	119.7°	119.9°
C4	N3	N2	110.4°	110.1°
N3	C4	H4	126.1°	126.1°
C9	C10	N2	134.0°	133.6°
C10	C9	H14	119.6°	119.9°
C10	N2	N3	109.0°	109.1°
C10	N2	C1	125.6°	125.5°
N3	N2	C1	125.4°	125.4°
N2	C1	H1	109.5°	109.5°
N2	C1	H2	109.5°	109.5°
N2	C1	H3	109.5°	109.5°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.4°
H8	C21	H9	109.5°	109.5°
H10	C23	H11	109.4°	110.8°
H12	C24	H13	109.5°	110.2°
H15	N15	H16	109.5°	120.1°
H17	C20	H18	109.5°	109.5°
H20	C28	H21	109.5°	109.6°
H22	C29	H23	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O27	C26	N25	C22	179.9°	179.9°
O27	C26	N25	C24	179.9°	179.3°
O27	C26	C22	C21	78.7°	77.2°
O27	C26	C22	C28	42.6°	45.6°
O27	C26	C22	C23	161.8°	164.2°
O27	C26	N25	H19	0.1°	0.7°
C26	N25	C24	H19	180.0°	180.0°
N25	C26	C22	C21	101.4°	102.8°
C26	N25	C24	C23	18.5°	16.9°
N25	C26	C22	C28	137.3°	134.4°
N25	C26	C22	C23	18.1°	15.8°
C26	N25	C24	H12	100.8°	136.0°
C26	N25	C24	H13	137.7°	102.1°
C24	N25	C26	C22	0.2°	0.7°
N25	C24	C23	H12	119.3°	119.0°
N25	C24	C23	H13	119.3°	119.1°
N25	C24	C23	C22	27.9°	25.0°
N25	C24	C23	H10	146.6°	143.1°
N25	C24	C23	H11	90.8°	93.1°
N25	C24	H12	H13	122.1°	122.0°
C26	C22	C21	C28	120.6°	122.9°
C26	C22	C21	C23	114.6°	115.3°
C26	C22	C21	C20	175.7°	66.6°
C26	C22	C23	C24	27.4°	24.3°
C26	C22	C28	C23	114.1°	115.3°
C26	C22	C28	C29	178.6°	66.6°
C26	C22	C21	H8	55.3°	173.5°
C26	C22	C21	H9	63.9°	53.4°
C26	C22	C23	H10	146.1°	142.4°
C26	C22	C23	H11	91.3°	93.8°
C22	C26	N25	H19	179.8°	179.3°
C26	C22	C28	H20	61.1°	173.5°
C26	C22	C28	H21	58.3°	53.4°
CL	C16	C14	N15	0.1°	0.7°
CL	C16	C14	C18	179.8°	179.3°
CL	C16	C14	N13	179.6°	180.0°
CL	C16	C18	N19	0.4°	0.7°
CL	C16	C18	C11	179.8°	179.8°
C22	C21	C20	H8	120.4°	119.9°
C22	C21	C20	H9	120.4°	120.0°
C21	C22	C23	C24	91.0°	94.6°
C21	C22	C28	C23	124.8°	121.8°
C22	C21	C20	N19	47.6°	58.2°
C21	C22	C28	C29	57.6°	56.3°
C22	C21	H8	H9	118.8°	120.1°
C21	C22	C23	H10	27.7°	23.5°
C21	C22	C23	H11	150.3°	147.2°
C22	C21	C20	H17	168.0°	61.7°
C22	C21	C20	H18	72.7°	178.2°
C21	C22	C28	H20	177.9°	63.6°
C21	C22	C28	H21	62.8°	176.3°
C20	C21	C22	C28	55.1°	56.3°
C20	C21	C22	C23	69.7°	178.1°
C21	C20	N19	H17	120.4°	120.0°
C21	C20	N19	H18	120.4°	120.0°
C21	C20	N19	C18	136.9°	173.7°
C21	C20	N19	C29	45.4°	62.1°
C20	C21	H8	H9	118.8°	120.1°
C21	C20	H17	H18	118.9°	120.0°
C24	C23	C22	C28	144.9°	143.3°
C24	C23	C22	H10	118.7°	118.1°
C24	C23	C22	H11	118.7°	118.1°
C24	C23	H10	H11	123.7°	123.9°
C23	C24	H12	H13	122.1°	121.9°
C23	C24	N25	H19	161.5°	163.1°
C22	C28	C29	H20	120.3°	119.9°
C22	C28	C29	H21	120.3°	120.0°
C22	C28	C29	N19	51.8°	58.2°
C28	C22	C21	H8	65.3°	63.6°
C28	C22	C21	H9	175.5°	176.2°
C28	C22	C23	H10	96.4°	98.6°
C28	C22	C23	H11	26.2°	25.2°
C22	C28	H20	H21	118.9°	120.1°
C22	C28	C29	H22	68.3°	61.7°
C22	C28	C29	H23	172.0°	178.2°
C23	C22	C28	C29	67.3°	178.1°
C23	C22	C21	H8	169.9°	58.2°
C23	C22	C21	H9	50.6°	61.9°
C22	C23	H10	H11	123.7°	123.8°
C22	C23	C24	H12	91.4°	144.0°
C22	C23	C24	H13	147.2°	94.1°
C23	C22	C28	H20	53.1°	58.2°
C23	C22	C28	H21	172.4°	61.9°
N15	C14	C16	N13	179.7°	179.3°
N15	C14	C16	C18	179.9°	180.0°
N15	C14	N13	C12	179.9°	179.7°
C14	N15	H15	H16	120.0°	179.9°
C20	N19	C29	C28	47.2°	62.1°
C20	N19	C18	C16	67.6°	64.3°
C20	N19	C18	C29	177.7°	124.4°
C20	N19	C18	C11	112.2°	116.1°
N19	C20	C21	H8	72.8°	61.7°
N19	C20	C21	H9	168.0°	178.2°
N19	C20	H17	H18	118.9°	120.0°
C20	N19	C29	H22	72.9°	57.8°
C20	N19	C29	H23	167.4°	177.8°
C28	C29	N19	C18	135.0°	173.7°
C28	C29	N19	H22	120.2°	120.0°
C28	C29	N19	H23	120.1°	120.0°
C29	C28	H20	H21	119.0°	120.1°
C28	C29	H22	H23	119.6°	120.1°
C14	C16	C18	N19	179.9°	180.0°
C14	C16	C18	C11	0.1°	0.4°
C16	C14	N13	C12	0.1°	0.4°
C16	C14	N15	H15	179.8°	0.0°
C16	C14	N15	H16	59.8°	180.0°
C18	C16	C14	N13	0.2°	0.7°
C16	C18	N19	C11	179.8°	179.5°
C16	C18	N19	C29	114.7°	60.1°
C16	C18	C11	C12	0.3°	0.0°
C16	C18	C11	C7	179.8°	179.8°
C14	N13	C12	C11	0.1°	0.1°
C14	N13	C12	H7	179.8°	180.0°
N13	C14	N15	H15	0.0°	179.3°
N13	C14	N15	H16	120.0°	0.7°
N19	C18	C11	C12	179.9°	179.5°
N19	C18	C11	C7	0.0°	0.2°
C18	N19	C20	H17	16.5°	66.3°
C18	N19	C20	H18	102.7°	53.6°
C18	N19	C29	H22	104.8°	66.4°
C18	N19	C29	H23	14.9°	53.6°
C29	N19	C18	C11	65.5°	119.5°
C29	N19	C20	H17	165.7°	57.8°
C29	N19	C20	H18	75.0°	177.8°
N19	C29	C28	H20	172.1°	61.7°
N19	C29	C28	H21	68.5°	178.2°
N19	C29	H22	H23	119.5°	120.0°
C18	C11	C12	N13	0.4°	0.3°
C18	C11	C12	C7	179.9°	179.7°
C18	C11	C7	C6	61.9°	129.7°
C18	C11	C7	C8	118.7°	50.3°
C18	C11	C12	H7	179.6°	179.8°
N13	C12	C11	H7	180.0°	179.9°
N13	C12	C11	C7	179.8°	180.0°
C12	C11	C7	C6	118.2°	50.0°
C12	C11	C7	C8	61.2°	130.0°
C11	C7	C6	C8	179.4°	180.0°
C11	C7	C6	C5	179.9°	180.0°
C11	C7	C8	C9	179.6°	179.9°
C11	C7	C6	H5	0.1°	0.0°
C11	C7	C8	H6	0.3°	0.0°
C7	C11	C12	H7	0.3°	0.1°
C7	C6	C5	H5	180.0°	180.0°
C7	C6	C5	C4	179.6°	180.0°
C7	C6	C5	C10	0.5°	0.0°
C6	C7	C8	C9	0.2°	0.0°
C6	C7	C8	H6	179.8°	180.0°
C5	C6	C7	C8	0.5°	0.0°
C6	C5	C4	C10	179.9°	180.0°
C6	C5	C4	N3	179.9°	180.0°
C6	C5	C10	C9	0.2°	0.0°
C6	C5	C10	N2	180.0°	179.8°
C6	C5	C4	H4	0.1°	0.3°
C7	C8	C9	H6	180.0°	179.9°
C7	C8	C9	C10	0.1°	0.0°
C8	C7	C6	H5	179.5°	180.0°
C7	C8	C9	H14	179.9°	180.0°
C5	C4	N3	H4	180.0°	179.6°
C4	C5	C10	C9	179.9°	180.0°
C4	C5	C10	N2	0.0°	0.3°
C5	C4	N3	N2	0.2°	0.3°
C4	C5	C6	H5	0.4°	0.0°
C5	C10	C9	C8	0.1°	0.0°
C10	C5	C4	N3	0.2°	0.0°
C5	C10	C9	N2	179.9°	179.7°
C5	C10	N2	N3	0.1°	0.4°
C5	C10	N2	C1	180.0°	180.0°
C10	C5	C4	H4	179.9°	179.7°
C10	C5	C6	H5	179.5°	180.0°
C5	C10	C9	H14	179.9°	179.9°
C8	C9	C10	H14	180.0°	179.9°
C8	C9	C10	N2	179.7°	179.6°
C4	N3	N2	C10	0.2°	0.5°
C4	N3	N2	C1	179.9°	180.0°
C9	C10	N2	N3	179.7°	179.9°
C9	C10	N2	C1	0.1°	0.3°
C10	C9	C8	H6	179.9°	180.0°
C10	N2	N3	C1	179.9°	179.6°
C10	N2	C1	H1	179.9°	90.5°
C10	N2	C1	H2	59.9°	29.5°
C10	N2	C1	H3	60.1°	149.4°
N2	C10	C9	H14	0.2°	0.3°
N3	N2	C1	H1	0.0°	90.0°
N3	N2	C1	H2	120.0°	150.0°
N3	N2	C1	H3	120.0°	30.1°
N2	N3	C4	H4	179.8°	179.9°
N2	C1	H1	H2	120.0°	120.0°
N2	C1	H1	H3	120.0°	120.1°
N2	C1	H2	H3	120.0°	120.0°
H1	C1	H2	H3	120.0°	120.0°
H6	C8	C9	H14	0.1°	0.1°
H8	C21	C20	H17	47.6°	178.3°
H8	C21	C20	H18	166.9°	58.3°
H9	C21	C20	H17	71.7°	58.2°
H9	C21	C20	H18	47.7°	61.8°
H10	C23	C24	H12	27.3°	97.9°
H10	C23	C24	H13	94.1°	24.0°
H11	C23	C24	H12	149.9°	25.9°
H11	C23	C24	H13	28.5°	147.8°
H12	C24	N25	H19	79.3°	44.0°
H13	C24	N25	H19	42.2°	77.9°
H20	C28	C29	H22	52.0°	178.4°
H20	C28	C29	H23	67.7°	58.3°
H21	C28	C29	H22	171.4°	58.3°
H21	C28	C29	H23	51.6°	61.8°

Release date:	2016-02-03
Definition date:	2016-01-05
Last modified:	2016-01-29
Release status:	REL
Processing site:	EBI
Derived from:	5HBJ