4EO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C15	sing	1.36Å	1.36Å
C15	C14	doub	1.39Å	1.39Å	Aromatic
C15	C3	sing	1.39Å	1.40Å	Aromatic
C2	C3	sing	1.51Å	1.52Å
C2	C1	sing	1.53Å	1.46Å
C14	C13	sing	1.39Å	1.39Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C13	O2	sing	1.36Å	1.38Å
C13	C5	doub	1.39Å	1.40Å	Aromatic
C4	C5	sing	1.39Å	1.39Å	Aromatic
C5	N1	sing	1.40Å	1.44Å
C11	C10	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C10	C9	sing	1.38Å	1.39Å	Aromatic
C12	N1	sing	1.39Å	1.40Å
C12	C7	doub	1.40Å	1.39Å	Aromatic
N1	C6	sing	1.35Å	1.41Å
C9	C8	doub	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C7	N2	sing	1.39Å	1.39Å
C6	O1	doub	1.22Å	1.22Å
C6	N2	sing	1.35Å	1.37Å
N2	H7	sing	0.97Å	1.00Å
C11	H11	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C4	H6	sing	1.08Å	1.08Å
O2	H12	sing	0.97Å	0.95Å
C14	H13	sing	1.08Å	1.08Å
O3	H14	sing	0.97Å	0.95Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C15	C14	119.9°	120.0°
O3	C15	C3	118.6°	120.0°
C15	O3	H14	109.5°	114.1°
C14	C15	C3	121.2°	120.1°
C15	C14	C13	120.4°	120.0°
C15	C14	H13	119.8°	120.1°
C15	C3	C2	124.2°	120.0°
C15	C3	C4	118.2°	120.1°
C3	C2	C1	111.8°	109.5°
C2	C3	C4	117.5°	119.9°
C3	C2	H5	108.9°	109.4°
C3	C2	H4	108.9°	109.5°
C1	C2	H5	108.9°	109.5°
C1	C2	H4	108.9°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C14	C13	O2	119.3°	120.1°
C14	C13	C5	118.8°	119.9°
C13	C14	H13	119.8°	120.0°
C3	C4	C5	120.7°	120.0°
C3	C4	H6	119.7°	120.0°
O2	C13	C5	121.9°	120.0°
C13	O2	H12	109.5°	114.0°
C13	C5	C4	120.8°	120.0°
C13	C5	N1	121.8°	120.0°
C4	C5	N1	117.4°	120.0°
C5	C4	H6	119.7°	120.0°
C5	N1	C12	128.0°	125.8°
C5	N1	C6	124.3°	125.8°
C10	C11	C12	118.1°	119.9°
C11	C10	C9	120.9°	120.3°
C10	C11	H11	120.9°	120.1°
C11	C10	H10	119.5°	119.9°
C11	C12	N1	130.9°	133.4°
C11	C12	C7	121.1°	119.9°
C12	C11	H11	121.0°	120.0°
C10	C9	C8	120.7°	120.3°
C9	C10	H10	119.5°	119.8°
C10	C9	H9	119.7°	119.9°
N1	C12	C7	107.9°	106.7°
C12	N1	C6	107.7°	108.4°
C12	C7	C8	120.7°	119.8°
C12	C7	N2	107.4°	106.8°
N1	C6	O1	125.5°	125.2°
N1	C6	N2	106.9°	109.7°
C9	C8	C7	118.4°	119.9°
C8	C9	H9	119.6°	119.9°
C9	C8	H8	120.8°	120.0°
C8	C7	N2	131.9°	133.3°
C7	C8	H8	120.8°	120.1°
C7	N2	C6	110.2°	108.3°
C7	N2	H7	124.9°	125.9°
O1	C6	N2	127.6°	125.1°
C6	N2	H7	124.9°	125.8°
H5	C2	H4	109.5°	109.5°
H2	C1	H1	109.5°	109.4°
H2	C1	H3	109.5°	109.5°
H1	C1	H3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C15	C14	C3	174.3°	179.8°
O3	C15	C3	C2	3.9°	0.2°
O3	C15	C14	C13	173.2°	180.0°
O3	C15	C3	C4	172.8°	179.9°
O3	C15	C14	H13	6.9°	0.1°
C14	C15	C3	C2	178.3°	180.0°
C15	C14	C13	H13	180.0°	179.9°
C14	C15	C3	C4	1.5°	0.2°
C15	C14	C13	O2	179.6°	180.0°
C15	C14	C13	C5	0.3°	0.0°
C14	C15	O3	H14	180.0°	89.9°
C15	C3	C2	C4	176.7°	179.7°
C15	C3	C2	C1	112.3°	80.0°
C3	C15	C14	C13	1.1°	0.2°
C15	C3	C4	C5	0.6°	0.0°
C15	C3	C4	H6	179.4°	180.0°
C3	C15	C14	H13	178.9°	179.7°
C3	C15	O3	H14	5.6°	90.2°
C15	C3	C2	H5	127.4°	40.0°
C15	C3	C2	H4	8.1°	160.0°
C3	C2	C1	H5	120.3°	120.0°
C3	C2	C1	H4	120.3°	120.0°
C2	C3	C4	C5	177.5°	179.8°
C2	C3	C4	H6	2.5°	0.3°
C3	C2	H5	H4	118.9°	120.0°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	H1	60.0°	60.0°
C3	C2	C1	H3	60.0°	60.0°
C1	C2	C3	C4	71.0°	100.3°
C1	C2	H5	H4	118.9°	120.0°
C2	C1	H2	H1	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C14	C13	O2	C5	179.3°	180.0°
C14	C13	C5	C4	1.3°	0.2°
C14	C13	C5	N1	175.6°	180.0°
C14	C13	O2	H12	180.0°	90.0°
C3	C4	C5	C13	0.8°	0.2°
C3	C4	C5	H6	180.0°	180.0°
C3	C4	C5	N1	176.2°	180.0°
C4	C3	C2	H5	49.4°	139.7°
C4	C3	C2	H4	168.7°	19.7°
O2	C13	C5	C4	179.4°	179.7°
O2	C13	C5	N1	3.7°	0.0°
O2	C13	C14	H13	0.4°	0.0°
C13	C5	C4	N1	177.0°	179.8°
C13	C5	N1	C12	110.2°	90.2°
C13	C5	N1	C6	68.3°	89.3°
C13	C5	C4	H6	179.2°	179.7°
C5	C13	O2	H12	0.7°	90.0°
C5	C13	C14	H13	179.7°	180.0°
C4	C5	N1	C12	66.7°	90.0°
C4	C5	N1	C6	114.7°	90.5°
C5	N1	C12	C11	0.4°	0.4°
C5	N1	C12	C6	178.7°	179.6°
C5	N1	C12	C7	178.2°	180.0°
C5	N1	C6	O1	0.6°	0.3°
C5	N1	C6	N2	178.5°	180.0°
N1	C5	C4	H6	3.8°	0.0°
C10	C11	C12	H11	180.0°	180.0°
C11	C10	C9	H10	180.0°	180.0°
C10	C11	C12	N1	177.1°	180.0°
C10	C11	C12	C7	0.5°	0.5°
C11	C10	C9	C8	0.1°	0.8°
C11	C10	C9	H9	179.9°	180.0°
C12	C11	C10	C9	0.6°	0.0°
C11	C12	N1	C7	177.8°	179.6°
C11	C12	N1	C6	178.4°	180.0°
C11	C12	C7	C8	0.3°	0.1°
C11	C12	C7	N2	178.7°	179.9°
C12	C11	C10	H10	179.4°	180.0°
C10	C9	C8	H9	180.0°	179.1°
C10	C9	C8	C7	0.6°	1.2°
C9	C10	C11	H11	179.4°	180.0°
C10	C9	C8	H8	179.4°	179.6°
N1	C12	C7	C8	178.4°	179.7°
N1	C12	C7	N2	0.6°	0.3°
C12	N1	C6	O1	179.3°	179.9°
C12	N1	C6	N2	0.2°	0.5°
N1	C12	C11	H11	2.9°	0.0°
C7	C12	N1	C6	0.5°	0.5°
C12	C7	C8	C9	0.8°	0.7°
C12	C7	C8	N2	178.7°	179.9°
C12	C7	N2	C6	0.5°	0.0°
C12	C7	N2	H7	179.5°	180.0°
C7	C12	C11	H11	179.5°	179.5°
C12	C7	C8	H8	179.2°	179.9°
N1	C6	N2	C7	0.2°	0.3°
N1	C6	O1	N2	178.9°	179.6°
N1	C6	N2	H7	179.8°	179.7°
C9	C8	C7	H8	180.0°	179.2°
C9	C8	C7	N2	177.9°	179.2°
C8	C9	C10	H10	179.9°	179.2°
C8	C7	N2	C6	178.3°	180.0°
C8	C7	N2	H7	1.7°	0.1°
C7	C8	C9	H9	179.4°	179.7°
C7	N2	C6	O1	178.9°	179.9°
C7	N2	C6	H7	180.0°	180.0°
N2	C7	C8	H8	2.1°	0.0°
O1	C6	N2	H7	1.1°	0.0°
H11	C11	C10	H10	0.6°	0.0°
H10	C10	C9	H9	0.1°	0.0°
H9	C9	C8	H8	0.6°	0.4°
H5	C2	C1	H2	59.6°	60.0°
H5	C2	C1	H1	179.7°	180.0°
H5	C2	C1	H3	60.4°	60.0°
H4	C2	C1	H2	59.7°	60.0°
H4	C2	C1	H1	60.4°	60.0°
H4	C2	C1	H3	179.7°	180.0°
H2	C1	H1	H3	120.0°	120.0°

Release date:	2016-03-09
Definition date:	2015-03-11
Last modified:	2016-03-04
Release status:	REL
Processing site:	RCSB
Derived from:	4YKQ