4UE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	N17	sing	1.47Å	1.47Å
C18	N17	sing	1.35Å	1.35Å	Aromatic
C18	N19	doub	1.31Å	1.31Å	Aromatic
N17	C16	sing	1.38Å	1.38Å	Aromatic
N19	C15	sing	1.34Å	1.34Å	Aromatic
C16	C15	doub	1.36Å	1.36Å	Aromatic
C16	C1	sing	1.48Å	1.48Å
C2	C1	doub	1.40Å	1.41Å	Aromatic
C2	C3	sing	1.36Å	1.37Å	Aromatic
C1	C4	sing	1.39Å	1.39Å	Aromatic
C3	C6	doub	1.39Å	1.40Å	Aromatic
C4	C5	doub	1.40Å	1.39Å	Aromatic
C6	C5	sing	1.41Å	1.41Å	Aromatic
C6	N7	sing	1.38Å	1.37Å	Aromatic
C5	C9	sing	1.41Å	1.42Å	Aromatic
N7	C8	sing	1.38Å	1.38Å	Aromatic
C9	C8	doub	1.36Å	1.36Å	Aromatic
C8	C10	sing	1.47Å	1.46Å
C10	O12	sing	1.35Å	1.34Å
C10	O11	doub	1.22Å	1.22Å
O12	C13	sing	1.45Å	1.45Å
C13	C14	sing	1.53Å	1.53Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
N7	H3	sing	0.97Å	1.00Å
C9	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C20	H10	sing	1.09Å	1.10Å
C20	H11	sing	1.09Å	1.10Å
C20	H12	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C13	H14	sing	1.09Å	1.10Å
C4	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	N17	C18	125.9°	126.4°
C20	N17	C16	127.0°	126.5°
N17	C20	H10	109.5°	109.5°
N17	C20	H11	109.4°	109.5°
N17	C20	H12	109.5°	109.5°
N17	C18	N19	108.9°	109.0°
C18	N17	C16	107.1°	107.1°
N17	C18	H9	125.6°	125.5°
C18	N19	C15	109.8°	109.5°
N19	C18	H9	125.6°	125.5°
N17	C16	C15	106.5°	106.5°
N17	C16	C1	127.4°	126.7°
N19	C15	C16	107.8°	107.9°
N19	C15	H8	126.1°	126.1°
C15	C16	C1	126.1°	126.8°
C16	C15	H8	126.1°	126.0°
C16	C1	C2	120.6°	119.9°
C16	C1	C4	118.7°	120.0°
C1	C2	C3	120.2°	120.7°
C2	C1	C4	120.7°	120.1°
C1	C2	H1	119.9°	119.7°
C2	C3	C6	119.7°	120.3°
C3	C2	H1	119.9°	119.7°
C2	C3	H2	120.1°	119.9°
C1	C4	C5	119.5°	119.5°
C1	C4	H15	120.3°	120.3°
C3	C6	C5	120.6°	119.7°
C3	C6	N7	132.8°	132.9°
C6	C3	H2	120.1°	119.8°
C4	C5	C6	119.3°	119.7°
C4	C5	C9	133.0°	133.3°
C5	C4	H15	120.2°	120.2°
C5	C6	N7	106.7°	107.3°
C6	C5	C9	107.7°	107.0°
C6	N7	C8	109.2°	108.8°
C6	N7	H3	125.4°	125.6°
C5	C9	C8	106.8°	107.7°
C5	C9	H4	126.6°	126.1°
N7	C8	C9	109.5°	109.1°
N7	C8	C10	124.3°	125.4°
C8	N7	H3	125.4°	125.6°
C9	C8	C10	126.1°	125.5°
C8	C9	H4	126.6°	126.1°
C8	C10	O12	120.0°	120.0°
C8	C10	O11	120.7°	120.0°
O12	C10	O11	119.2°	120.0°
C10	O12	C13	114.5°	117.0°
O12	C13	C14	109.8°	109.5°
O12	C13	H13	109.4°	109.4°
O12	C13	H14	109.4°	109.5°
C13	C14	H5	109.5°	109.5°
C13	C14	H6	109.5°	109.5°
C13	C14	H7	109.5°	109.5°
C14	C13	H13	109.4°	109.5°
C14	C13	H14	109.4°	109.5°
H5	C14	H6	109.5°	109.5°
H5	C14	H7	109.5°	109.4°
H6	C14	H7	109.4°	109.5°
H10	C20	H11	109.5°	109.4°
H10	C20	H12	109.5°	109.5°
H11	C20	H12	109.4°	109.5°
H13	C13	H14	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	N17	C18	C16	178.4°	179.7°
C20	N17	C18	N19	179.5°	180.0°
C20	N17	C16	C15	179.6°	179.7°
C20	N17	C16	C1	2.0°	0.3°
C20	N17	C18	H9	0.5°	0.0°
N17	C20	H10	H11	120.0°	120.0°
N17	C20	H10	H12	120.0°	120.1°
N17	C20	H11	H12	120.0°	120.0°
N17	C18	N19	H9	180.0°	180.0°
N17	C18	N19	C15	0.6°	0.4°
C18	N17	C16	C15	1.2°	0.0°
C18	N17	C16	C1	179.6°	180.0°
C18	N17	C20	H10	180.0°	95.7°
C18	N17	C20	H11	60.0°	144.3°
C18	N17	C20	H12	60.0°	24.3°
N19	C18	N17	C16	1.1°	0.3°
C18	N19	C15	C16	0.2°	0.4°
C18	N19	C15	H8	179.8°	179.9°
N17	C16	C15	N19	0.8°	0.2°
N17	C16	C15	C1	178.5°	180.0°
N17	C16	C1	C2	46.4°	160.2°
N17	C16	C1	C4	132.6°	20.0°
N17	C16	C15	H8	179.2°	180.0°
C16	N17	C18	H9	178.9°	179.7°
C16	N17	C20	H10	1.9°	83.9°
C16	N17	C20	H11	121.9°	36.0°
C16	N17	C20	H12	118.1°	156.0°
N19	C15	C16	H8	180.0°	179.7°
N19	C15	C16	C1	179.3°	179.8°
C15	N19	C18	H9	179.4°	179.6°
C15	C16	C1	C2	135.5°	19.8°
C15	C16	C1	C4	45.6°	160.0°
C16	C1	C2	C4	178.9°	179.7°
C16	C1	C2	C3	179.2°	179.7°
C16	C1	C4	C5	179.9°	179.7°
C16	C1	C2	H1	0.7°	0.3°
C1	C16	C15	H8	0.7°	0.0°
C16	C1	C4	H15	0.1°	0.3°
C1	C2	C3	H1	180.0°	180.0°
C1	C2	C3	C6	0.2°	0.0°
C2	C1	C4	C5	0.9°	0.0°
C1	C2	C3	H2	179.8°	180.0°
C2	C1	C4	H15	179.1°	180.0°
C3	C2	C1	C4	0.3°	0.0°
C2	C3	C6	H2	180.0°	180.0°
C2	C3	C6	C5	0.1°	0.0°
C2	C3	C6	N7	179.9°	180.0°
C1	C4	C5	H15	180.0°	180.0°
C1	C4	C5	C6	1.0°	0.0°
C1	C4	C5	C9	179.9°	180.0°
C4	C1	C2	H1	179.7°	180.0°
C3	C6	C5	C4	0.5°	0.0°
C3	C6	C5	N7	179.9°	180.0°
C3	C6	C5	C9	179.6°	180.0°
C3	C6	N7	C8	179.7°	180.0°
C6	C3	C2	H1	179.8°	180.0°
C3	C6	N7	H3	0.3°	0.1°
C4	C5	C6	C9	179.1°	180.0°
C4	C5	C6	N7	179.4°	180.0°
C4	C5	C9	C8	179.2°	180.0°
C4	C5	C9	H4	0.8°	0.1°
C5	C6	N7	C8	0.2°	0.0°
C6	C5	C9	C8	0.2°	0.0°
C5	C6	C3	H2	179.9°	180.0°
C5	C6	N7	H3	179.8°	180.0°
C6	C5	C9	H4	179.8°	179.9°
C6	C5	C4	H15	179.0°	180.0°
N7	C6	C5	C9	0.2°	0.0°
C6	N7	C8	H3	180.0°	180.0°
C6	N7	C8	C9	0.0°	0.0°
C6	N7	C8	C10	178.7°	180.0°
N7	C6	C3	H2	0.1°	0.0°
C5	C9	C8	N7	0.1°	0.0°
C5	C9	C8	H4	180.0°	179.9°
C5	C9	C8	C10	178.5°	180.0°
C9	C5	C4	H15	0.2°	0.0°
N7	C8	C9	C10	178.6°	180.0°
N7	C8	C10	O12	8.3°	0.0°
N7	C8	C10	O11	174.7°	179.9°
N7	C8	C9	H4	179.9°	180.0°
C9	C8	C10	O12	170.2°	180.0°
C9	C8	C10	O11	6.9°	0.1°
C9	C8	N7	H3	179.9°	180.0°
C8	C10	O12	O11	177.1°	179.9°
C8	C10	O12	C13	115.7°	180.0°
C10	C8	N7	H3	1.3°	0.0°
C10	C8	C9	H4	1.5°	0.1°
C10	O12	C13	C14	110.4°	180.0°
C10	O12	C13	H13	129.5°	60.0°
C10	O12	C13	H14	9.6°	59.9°
O11	C10	O12	C13	61.4°	0.1°
O12	C13	C14	H13	120.1°	120.0°
O12	C13	C14	H14	120.1°	120.1°
O12	C13	C14	H5	180.0°	180.0°
O12	C13	C14	H6	60.0°	59.9°
O12	C13	C14	H7	60.0°	60.1°
O12	C13	H13	H14	119.9°	120.0°
C13	C14	H5	H6	120.0°	120.1°
C13	C14	H5	H7	120.0°	120.0°
C13	C14	H6	H7	120.0°	120.0°
C14	C13	H13	H14	119.8°	120.0°
H1	C2	C3	H2	0.2°	0.0°
H5	C14	H6	H7	120.0°	119.9°
H5	C14	C13	H13	59.9°	60.0°
H5	C14	C13	H14	59.9°	59.9°
H6	C14	C13	H13	179.9°	60.0°
H6	C14	C13	H14	60.1°	NaN°
H7	C14	C13	H13	60.1°	179.9°
H7	C14	C13	H14	180.0°	60.0°
H10	C20	H11	H12	120.0°	120.0°

Release date:	2015-06-17
Definition date:	2015-05-28
Last modified:	2015-06-12
Release status:	REL
Processing site:	RCSB
Derived from:	5BOY