5UY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	O2	sing	1.45Å	1.45Å
O2	C15	sing	1.35Å	1.34Å
C1	N	doub	1.32Å	1.33Å	Aromatic
C1	C	sing	1.40Å	1.39Å	Aromatic
C15	C	sing	1.47Å	1.49Å
C15	O1	doub	1.22Å	1.21Å
N	C2	sing	1.33Å	1.33Å	Aromatic
C	C4	doub	1.41Å	1.41Å	Aromatic
C2	N3	sing	1.39Å	1.37Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C4	C3	sing	1.39Å	1.39Å	Aromatic
C4	N1	sing	1.39Å	1.37Å
N3	C10	sing	1.39Å	1.37Å
N1	C5	sing	1.46Å	1.45Å
C10	C13	doub	1.40Å	1.40Å	Aromatic
C10	N4	sing	1.33Å	1.33Å	Aromatic
C5	C6	sing	1.53Å	1.51Å
C13	N5	sing	1.32Å	1.34Å	Aromatic
N4	C11	doub	1.32Å	1.33Å	Aromatic
N5	C12	doub	1.33Å	1.35Å	Aromatic
C11	C12	sing	1.40Å	1.39Å	Aromatic
C12	C14	sing	1.43Å	1.45Å
C6	O	sing	1.43Å	1.43Å
C6	C9	sing	1.53Å	1.52Å
O	C7	sing	1.43Å	1.44Å
C9	N2	sing	1.47Å	1.46Å
C14	N6	trip	1.14Å	1.14Å
C7	C8	sing	1.53Å	1.51Å
N2	C8	sing	1.47Å	1.47Å
C1	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	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
N1	H10	sing	0.97Å	1.00Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C13	H13	sing	1.08Å	1.08Å
C11	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.09Å	1.10Å
C16	H16	sing	1.09Å	1.10Å
C16	H17	sing	1.09Å	1.10Å
N2	H18	sing	1.01Å	1.00Å
N3	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	O2	C15	117.0°	117.0°
O2	C16	H15	109.5°	109.5°
O2	C16	H16	109.4°	109.5°
O2	C16	H17	109.4°	109.5°
O2	C15	C	111.7°	120.0°
O2	C15	O1	124.2°	120.0°
N	C1	C	124.3°	120.7°
C1	N	C2	117.6°	122.0°
N	C1	H1	117.8°	119.7°
C1	C	C15	120.8°	120.5°
C1	C	C4	117.8°	118.9°
C	C1	H1	117.9°	119.7°
C	C15	O1	124.1°	120.0°
C15	C	C4	121.4°	120.6°
N	C2	N3	114.3°	119.5°
N	C2	C3	122.9°	121.0°
C	C4	C3	117.8°	118.2°
C	C4	N1	121.7°	120.9°
N3	C2	C3	122.9°	119.5°
C2	N3	C10	130.5°	120.0°
C2	N3	H20	114.8°	120.0°
C2	C3	C4	119.5°	119.2°
C2	C3	H2	120.3°	120.4°
C3	C4	N1	120.5°	120.9°
C4	C3	H2	120.2°	120.4°
C4	N1	C5	123.4°	120.0°
C4	N1	H10	105.9°	120.0°
N3	C10	C13	119.9°	120.0°
N3	C10	N4	118.8°	120.0°
C10	N3	H20	114.8°	120.0°
N1	C5	C6	116.3°	109.4°
N1	C5	H3	107.7°	109.4°
N1	C5	H4	107.7°	109.5°
C5	N1	H10	105.9°	120.0°
C13	C10	N4	121.3°	120.0°
C10	C13	N5	121.7°	120.0°
C10	C13	H13	119.1°	120.0°
C10	N4	C11	117.2°	120.1°
C5	C6	O	103.3°	109.6°
C5	C6	C9	113.5°	109.5°
C6	C5	H3	107.7°	109.5°
C6	C5	H4	107.8°	109.5°
C5	C6	H5	109.7°	109.5°
C13	N5	C12	116.5°	120.0°
N5	C13	H13	119.1°	120.0°
N4	C11	C12	121.8°	119.9°
N4	C11	H14	119.1°	120.1°
N5	C12	C11	121.5°	120.0°
N5	C12	C14	117.3°	120.0°
C11	C12	C14	121.2°	120.0°
C12	C11	H14	119.1°	120.1°
C12	C14	N6	178.5°	180.0°
O	C6	C9	109.6°	109.2°
C6	O	C7	112.5°	113.8°
O	C6	H5	110.9°	109.5°
C6	C9	N2	110.4°	109.3°
C9	C6	H5	109.7°	109.5°
C6	C9	H11	109.2°	109.5°
C6	C9	H12	109.2°	109.5°
O	C7	C8	110.7°	109.3°
O	C7	H6	109.2°	109.5°
O	C7	H7	109.2°	109.6°
C9	N2	C8	112.1°	110.7°
N2	C9	H11	109.3°	109.5°
N2	C9	H12	109.2°	109.5°
C9	N2	H18	108.8°	111.0°
C7	C8	N2	111.1°	109.3°
C8	C7	H6	109.2°	109.5°
C8	C7	H7	109.2°	109.5°
C7	C8	H8	109.1°	109.5°
C7	C8	H9	109.1°	109.5°
N2	C8	H8	109.0°	109.5°
N2	C8	H9	109.0°	109.5°
C8	N2	H18	108.8°	111.0°
H3	C5	H4	109.5°	109.5°
H6	C7	H7	109.4°	109.5°
H8	C8	H9	109.5°	109.6°
H11	C9	H12	109.5°	109.5°
H15	C16	H16	109.5°	109.4°
H15	C16	H17	109.5°	109.5°
H16	C16	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	O2	C15	C	178.9°	180.0°
C16	O2	C15	O1	1.3°	0.1°
O2	C16	H15	H16	120.0°	120.0°
O2	C16	H15	H17	120.0°	120.0°
O2	C16	H16	H17	120.0°	120.0°
O2	C15	C	C1	11.5°	5.8°
O2	C15	C	O1	179.7°	179.9°
O2	C15	C	C4	166.6°	174.2°
C15	O2	C16	H15	180.0°	59.9°
C15	O2	C16	H16	60.0°	60.0°
C15	O2	C16	H17	60.0°	180.0°
N	C1	C	H1	180.0°	179.8°
N	C1	C	C15	178.6°	180.0°
N	C1	C	C4	0.4°	0.0°
C1	N	C2	N3	178.8°	180.0°
C1	N	C2	C3	0.7°	0.0°
C1	C	C15	C4	178.1°	180.0°
C1	C	C15	O1	168.7°	174.3°
C	C1	N	C2	0.4°	0.1°
C1	C	C4	C3	0.9°	0.0°
C1	C	C4	N1	178.8°	180.0°
C15	C	C4	C3	179.1°	180.0°
C15	C	C4	N1	0.6°	0.0°
C15	C	C1	H1	1.4°	0.3°
O1	C15	C	C4	13.2°	5.7°
N	C2	N3	C3	179.5°	179.9°
N	C2	C3	C4	0.2°	0.0°
N	C2	N3	C10	164.3°	5.3°
C2	N	C1	H1	179.6°	179.7°
N	C2	C3	H2	179.8°	180.0°
N	C2	N3	H20	15.7°	174.8°
C	C4	C3	C2	0.7°	0.0°
C	C4	C3	N1	179.7°	180.0°
C	C4	N1	C5	177.8°	174.4°
C4	C	C1	H1	179.6°	179.7°
C	C4	C3	H2	179.3°	180.0°
C	C4	N1	H10	55.9°	5.5°
N3	C2	C3	C4	179.3°	179.9°
C2	N3	C10	H20	180.0°	179.9°
C2	N3	C10	C13	163.0°	174.8°
C2	N3	C10	N4	17.0°	5.3°
N3	C2	C3	H2	0.7°	0.1°
C2	C3	C4	H2	180.0°	180.0°
C2	C3	C4	N1	179.1°	180.0°
C3	C2	N3	C10	15.2°	174.8°
C3	C2	N3	H20	164.9°	5.1°
C3	C4	N1	C5	1.9°	5.6°
C3	C4	N1	H10	123.8°	174.5°
C4	N1	C5	H10	121.9°	180.0°
C4	N1	C5	C6	102.1°	180.0°
N1	C4	C3	H2	0.9°	0.0°
C4	N1	C5	H3	18.9°	60.0°
C4	N1	C5	H4	136.9°	60.0°
N3	C10	C13	N4	180.0°	179.9°
N3	C10	C13	N5	179.9°	180.0°
N3	C10	N4	C11	179.9°	180.0°
N3	C10	C13	H13	0.1°	0.2°
N1	C5	C6	H3	121.0°	119.9°
N1	C5	C6	H4	121.0°	120.0°
N1	C5	C6	O	170.4°	60.0°
N1	C5	C6	C9	71.0°	179.8°
N1	C5	H3	H4	116.9°	120.0°
N1	C5	C6	H5	52.1°	60.1°
C10	C13	N5	H13	180.0°	179.8°
C13	C10	N4	C11	0.1°	0.1°
C10	C13	N5	C12	0.0°	0.2°
C13	C10	N3	H20	17.0°	5.1°
N4	C10	C13	N5	0.1°	0.1°
C10	N4	C11	C12	0.0°	0.2°
N4	C10	C13	H13	179.9°	179.7°
C10	N4	C11	H14	180.0°	179.7°
N4	C10	N3	H20	163.1°	174.8°
C5	C6	O	C9	121.3°	120.0°
C5	C6	O	H5	117.5°	120.1°
C5	C6	C9	H5	123.1°	120.1°
C5	C6	O	C7	179.2°	178.6°
C5	C6	C9	N2	171.7°	176.8°
C6	C5	H3	H4	116.9°	120.1°
C6	C5	N1	H10	136.0°	0.0°
C5	C6	C9	H11	68.2°	63.3°
C5	C6	C9	H12	51.6°	56.8°
C13	N5	C12	C11	0.1°	0.5°
C13	N5	C12	C14	179.3°	179.5°
N4	C11	C12	N5	0.0°	0.5°
N4	C11	C12	H14	180.0°	179.6°
N4	C11	C12	C14	179.3°	179.5°
N5	C12	C11	C14	179.3°	180.0°
N5	C12	C14	N6	167.0°	136.7°
C12	N5	C13	H13	180.0°	180.0°
N5	C12	C11	H14	180.0°	179.9°
C11	C12	C14	N6	12.4°	43.3°
C14	C12	C11	H14	0.7°	0.1°
O	C6	C9	H5	122.0°	119.9°
O	C6	C9	N2	56.8°	56.8°
C6	O	C7	C8	58.1°	58.7°
O	C6	C5	H3	68.6°	59.9°
O	C6	C5	H4	49.4°	180.0°
C6	O	C7	H6	178.3°	61.3°
C6	O	C7	H7	62.1°	178.6°
O	C6	C9	H11	176.9°	176.7°
O	C6	C9	H12	63.3°	63.1°
C9	C6	O	C7	59.5°	58.6°
C6	C9	N2	H11	120.1°	119.9°
C6	C9	N2	H12	120.1°	120.0°
C6	C9	N2	C8	54.3°	58.6°
C9	C6	C5	H3	50.0°	59.8°
C9	C6	C5	H4	168.0°	60.2°
C6	C9	H11	H12	119.6°	120.1°
C6	C9	N2	H18	66.1°	65.2°
O	C7	C8	H6	120.2°	119.9°
O	C7	C8	H7	120.2°	120.0°
O	C7	C8	N2	53.3°	56.8°
C7	O	C6	H5	61.7°	61.3°
O	C7	H6	H7	119.4°	120.2°
O	C7	C8	H8	66.9°	63.1°
O	C7	C8	H9	173.6°	176.8°
C9	N2	C8	C7	52.7°	58.6°
C9	N2	C8	H18	120.4°	123.8°
N2	C9	C6	H5	65.2°	63.1°
C9	N2	C8	H8	67.6°	61.3°
C9	N2	C8	H9	172.9°	178.6°
N2	C9	H11	H12	119.6°	120.1°
C7	C8	N2	H8	120.3°	119.9°
C7	C8	N2	H9	120.2°	120.0°
C8	C7	H6	H7	119.4°	120.1°
C7	C8	H8	H9	119.3°	120.1°
C7	C8	N2	H18	67.7°	65.2°
N2	C8	C7	H6	173.5°	63.1°
N2	C8	C7	H7	66.9°	176.8°
N2	C8	H8	H9	119.2°	120.1°
C8	N2	C9	H11	174.4°	178.5°
C8	N2	C9	H12	65.8°	61.4°
H3	C5	C6	H5	173.0°	179.9°
H3	C5	N1	H10	103.0°	120.0°
H4	C5	C6	H5	68.9°	59.9°
H4	C5	N1	H10	15.0°	120.0°
H5	C6	C9	H11	54.9°	56.8°
H5	C6	C9	H12	174.7°	176.9°
H6	C7	C8	H8	53.3°	177.0°
H6	C7	C8	H9	66.2°	56.9°
H7	C7	C8	H8	172.9°	56.9°
H7	C7	C8	H9	53.4°	63.2°
H8	C8	N2	H18	172.0°	174.9°
H9	C8	N2	H18	52.5°	54.8°
H11	C9	N2	H18	54.0°	54.7°
H12	C9	N2	H18	173.8°	174.9°
H15	C16	H16	H17	120.0°	120.0°

Release date:	2016-05-25
Definition date:	2015-12-04
Last modified:	2016-05-20
Release status:	REL
Processing site:	EBI
Derived from:	5F4N