EWX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C5	sing	1.43Å	1.43Å
O1	C3	sing	1.36Å	1.40Å
C5	C6	sing	1.53Å	1.53Å
N1	C3	doub	1.32Å	1.35Å	Aromatic
N1	C2	sing	1.33Å	1.34Å	Aromatic
C3	N	sing	1.32Å	1.36Å	Aromatic
O2	C6	sing	1.43Å	1.44Å
O2	C7	sing	1.43Å	1.44Å
C11	C12	doub	1.38Å	1.41Å	Aromatic
C11	C10	sing	1.39Å	1.38Å	Aromatic
N4	C2	sing	1.39Å	1.35Å
C12	N5	sing	1.32Å	1.34Å	Aromatic
C2	C	doub	1.39Å	1.45Å	Aromatic
N	C1	doub	1.33Å	1.36Å	Aromatic
C10	C9	doub	1.39Å	1.39Å	Aromatic
N5	C13	doub	1.32Å	1.37Å	Aromatic
C	C1	sing	1.40Å	1.48Å	Aromatic
C	N2	sing	1.39Å	1.35Å
C1	N3	sing	1.38Å	1.35Å
C9	C13	sing	1.38Å	1.40Å	Aromatic
C9	C8	sing	1.51Å	1.50Å
N2	C4	sing	1.35Å	1.35Å
N3	C8	sing	1.46Å	1.46Å
N3	C4	sing	1.35Å	1.37Å
C4	O	doub	1.22Å	1.38Å
N2	H1	sing	0.97Å	1.00Å
C8	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
N4	H8	sing	0.97Å	1.00Å
N4	H9	sing	0.97Å	1.00Å
C5	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C7	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	O1	C3	123.8°	117.0°
O1	C5	C6	105.1°	109.5°
O1	C5	H10	110.6°	109.5°
O1	C5	H11	110.5°	109.5°
O1	C3	N1	117.6°	118.9°
O1	C3	N	121.7°	118.9°
C5	C6	O2	110.6°	109.5°
C6	C5	H10	110.5°	109.4°
C6	C5	H11	110.5°	109.4°
C5	C6	H12	109.2°	109.5°
C5	C6	H13	109.2°	109.4°
C3	N1	C2	122.8°	120.9°
N1	C3	N	120.7°	122.1°
N1	C2	N4	120.2°	120.7°
N1	C2	C	119.8°	118.7°
C3	N	C1	121.6°	120.6°
C6	O2	C7	112.8°	114.0°
O2	C6	H12	109.2°	109.5°
O2	C6	H13	109.2°	109.5°
O2	C7	H14	109.5°	109.5°
O2	C7	H15	109.5°	109.5°
O2	C7	H16	109.5°	109.4°
C12	C11	C10	119.8°	119.2°
C11	C12	N5	121.9°	120.8°
C11	C12	H5	119.0°	119.6°
C12	C11	H6	120.1°	120.4°
C11	C10	C9	118.1°	118.4°
C10	C11	H6	120.1°	120.4°
C11	C10	H7	120.9°	120.8°
N4	C2	C	119.9°	120.6°
C2	N4	H8	109.5°	120.0°
C2	N4	H9	109.5°	120.0°
C12	N5	C13	118.7°	121.7°
N5	C12	H5	119.0°	119.6°
C2	C	C1	115.5°	118.7°
C2	C	N2	135.5°	134.5°
N	C1	C	119.5°	119.0°
N	C1	N3	134.5°	134.1°
C10	C9	C13	120.6°	119.2°
C10	C9	C8	119.3°	120.4°
C9	C10	H7	121.0°	120.8°
N5	C13	C9	120.8°	120.8°
N5	C13	H4	119.6°	119.6°
C1	C	N2	109.0°	106.9°
C	C1	N3	105.9°	106.8°
C	N2	C4	104.8°	108.1°
C	N2	H1	127.6°	126.0°
C1	N3	C8	125.2°	125.6°
C1	N3	C4	106.0°	108.6°
C13	C9	C8	120.1°	120.4°
C9	C13	H4	119.6°	119.6°
C9	C8	N3	106.7°	109.5°
C9	C8	H2	110.1°	109.5°
C9	C8	H3	110.1°	109.4°
N2	C4	N3	114.2°	109.6°
N2	C4	O	121.4°	125.2°
C4	N2	H1	127.6°	126.0°
C8	N3	C4	128.7°	125.7°
N3	C8	H2	110.2°	109.6°
N3	C8	H3	110.2°	109.5°
N3	C4	O	124.4°	125.2°
H2	C8	H3	109.5°	109.4°
H8	N4	H9	109.5°	120.0°
H10	C5	H11	109.5°	109.5°
H12	C6	H13	109.5°	109.5°
H14	C7	H15	109.5°	109.5°
H14	C7	H16	109.5°	109.5°
H15	C7	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C5	C6	H10	119.3°	120.0°
O1	C5	C6	H11	119.3°	120.0°
C5	O1	C3	N1	172.1°	0.0°
C5	O1	C3	N	8.7°	180.0°
O1	C5	C6	O2	100.3°	65.0°
O1	C5	H10	H11	122.0°	120.1°
O1	C5	C6	H12	19.9°	175.0°
O1	C5	C6	H13	139.6°	55.0°
C3	O1	C5	C6	65.3°	180.0°
O1	C3	N1	N	179.2°	180.0°
O1	C3	N1	C2	179.5°	179.8°
O1	C3	N	C1	179.7°	180.0°
C3	O1	C5	H10	54.0°	60.0°
C3	O1	C5	H11	175.4°	60.0°
C5	C6	O2	H12	120.2°	120.0°
C5	C6	O2	H13	120.2°	119.9°
C5	C6	O2	C7	153.6°	180.0°
C6	C5	H10	H11	122.0°	119.9°
C5	C6	H12	H13	119.5°	120.0°
C3	N1	C2	N4	179.3°	180.0°
C3	N1	C2	C	0.4°	0.4°
N1	C3	N	C1	1.1°	0.0°
C2	N1	C3	N	0.3°	0.2°
N1	C2	N4	C	178.9°	179.6°
N1	C2	C	C1	0.3°	0.4°
N1	C2	C	N2	178.2°	179.9°
N1	C2	N4	H8	0.0°	0.1°
N1	C2	N4	H9	120.0°	180.0°
C3	N	C1	C	1.2°	0.0°
C3	N	C1	N3	178.2°	179.7°
O2	C6	C5	H10	140.4°	55.0°
O2	C6	C5	H11	19.0°	175.0°
O2	C6	H12	H13	119.5°	120.0°
C6	O2	C7	H14	180.0°	60.0°
C6	O2	C7	H15	60.0°	60.0°
C6	O2	C7	H16	60.0°	180.0°
C7	O2	C6	H12	33.5°	60.0°
C7	O2	C6	H13	86.2°	60.0°
O2	C7	H14	H15	120.0°	120.0°
O2	C7	H14	H16	120.0°	120.0°
O2	C7	H15	H16	120.0°	119.9°
C12	C11	C10	H6	180.0°	179.7°
C11	C12	N5	H5	180.0°	179.9°
C12	C11	C10	C9	2.4°	0.5°
C11	C12	N5	C13	1.0°	0.1°
C12	C11	C10	H7	177.6°	180.0°
C10	C11	C12	N5	0.7°	0.3°
C11	C10	C9	H7	180.0°	179.5°
C11	C10	C9	C13	2.4°	0.5°
C11	C10	C9	C8	177.8°	179.7°
C10	C11	C12	H5	179.3°	179.8°
N4	C2	C	C1	179.3°	180.0°
N4	C2	C	N2	0.7°	0.3°
C2	N4	H8	H9	120.0°	179.9°
C12	N5	C13	C9	1.0°	0.1°
C12	N5	C13	H4	179.0°	180.0°
N5	C12	C11	H6	179.2°	179.9°
C2	C	C1	N	0.4°	0.2°
C2	C	C1	N2	178.9°	179.8°
C2	C	C1	N3	179.1°	180.0°
C2	C	N2	C4	178.7°	179.7°
C2	C	N2	H1	1.3°	0.3°
C	C2	N4	H8	178.9°	179.5°
C	C2	N4	H9	61.1°	0.4°
N	C1	C	N3	179.5°	179.8°
N	C1	C	N2	179.3°	180.0°
N	C1	N3	C8	1.2°	0.0°
N	C1	N3	C4	179.3°	179.9°
C10	C9	C13	N5	0.7°	0.3°
C10	C9	C13	C8	179.8°	179.8°
C10	C9	C8	N3	102.9°	90.2°
C10	C9	C8	H2	137.5°	149.7°
C10	C9	C8	H3	16.7°	29.8°
C10	C9	C13	H4	179.3°	179.7°
C9	C10	C11	H6	177.6°	179.7°
N5	C13	C9	H4	180.0°	180.0°
N5	C13	C9	C8	179.4°	179.9°
C13	N5	C12	H5	179.0°	180.0°
C1	C	N2	C4	0.1°	0.0°
C	C1	N3	C8	179.4°	179.8°
C	C1	N3	C4	0.2°	0.3°
C1	C	N2	H1	179.9°	180.0°
N2	C	C1	N3	0.2°	0.2°
C	N2	C4	H1	180.0°	180.0°
C	N2	C4	N3	0.0°	0.2°
C	N2	C4	O	179.4°	180.0°
C1	N3	C8	C9	85.4°	89.9°
C1	N3	C4	N2	0.1°	0.3°
C1	N3	C8	C4	179.5°	179.9°
C1	N3	C4	O	179.5°	179.9°
C1	N3	C8	H2	155.1°	30.1°
C1	N3	C8	H3	34.2°	150.1°
C13	C9	C8	N3	76.9°	90.0°
C13	C9	C8	H2	42.6°	30.1°
C13	C9	C8	H3	163.5°	150.0°
C13	C9	C10	H7	177.6°	180.0°
C9	C8	N3	H2	119.5°	120.0°
C9	C8	N3	H3	119.5°	120.0°
C9	C8	N3	C4	94.1°	90.0°
C9	C8	H2	H3	121.3°	119.9°
C8	C9	C13	H4	0.6°	0.0°
C8	C9	C10	H7	2.2°	0.2°
N2	C4	N3	C8	179.5°	179.8°
N2	C4	N3	O	179.4°	179.8°
C8	N3	C4	O	0.0°	0.0°
N3	C8	H2	H3	121.3°	120.1°
N3	C4	N2	H1	180.0°	179.8°
C4	N3	C8	H2	25.4°	150.0°
C4	N3	C8	H3	146.3°	30.0°
O	C4	N2	H1	0.6°	0.0°
H5	C12	C11	H6	0.8°	0.0°
H6	C11	C10	H7	2.4°	0.2°
H10	C5	C6	H12	99.4°	65.0°
H10	C5	C6	H13	20.3°	175.0°
H11	C5	C6	H12	139.2°	55.0°
H11	C5	C6	H13	101.1°	65.0°
H14	C7	H15	H16	120.0°	120.0°

Release date:	2020-11-11
Definition date:	2020-02-13
Last modified:	2020-11-06
Release status:	REL
Processing site:	PDBJ
Derived from:	6LVZ