OEA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N4	C1	sing	1.37Å	1.46Å
N2	C1	doub	1.31Å	1.30Å
N2	C2	sing	1.34Å	1.36Å
C1	N1	sing	1.36Å	1.38Å
O2	C14	doub	1.22Å	1.23Å
N3	C2	sing	1.36Å	1.37Å	Aromatic
N3	C6	sing	1.37Å	1.38Å	Aromatic
C2	C3	doub	1.40Å	1.39Å	Aromatic
C10	C9	doub	1.38Å	1.40Å	Aromatic
C10	C11	sing	1.40Å	1.39Å	Aromatic
N1	C4	sing	1.35Å	1.37Å
C6	C5	doub	1.34Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.39Å	Aromatic
C14	C11	sing	1.48Å	1.51Å
C14	N5	sing	1.35Å	1.34Å
C3	C4	sing	1.41Å	1.46Å
C3	C5	sing	1.46Å	1.41Å	Aromatic
C4	O1	doub	1.22Å	1.23Å
C11	C12	doub	1.40Å	1.39Å	Aromatic
O4	C21	doub	1.22Å	1.22Å
C5	C7	sing	1.51Å	1.50Å
O3	C21	sing	1.35Å	1.36Å
C21	C20	sing	1.47Å	1.50Å
N5	C15	sing	1.39Å	1.47Å
C20	C15	doub	1.41Å	1.40Å	Aromatic
C20	C19	sing	1.40Å	1.39Å	Aromatic
C8	C7	sing	1.51Å	1.51Å
C8	C13	doub	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.39Å	1.39Å	Aromatic
C19	C18	doub	1.36Å	1.39Å	Aromatic
C16	C17	doub	1.39Å	1.39Å	Aromatic
C18	C17	sing	1.39Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C17	O5	sing	1.36Å	1.38Å
O5	C22	sing	1.43Å	1.38Å
C13	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C16	H5	sing	1.08Å	1.08Å
C18	H6	sing	1.08Å	1.08Å
C19	H7	sing	1.08Å	1.08Å
C22	H8	sing	1.09Å	1.10Å
C22	H9	sing	1.09Å	1.10Å
C22	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.08Å	1.08Å
N1	H14	sing	0.97Å	1.00Å
N3	H15	sing	0.97Å	1.00Å
N4	H16	sing	0.97Å	1.00Å
N4	H17	sing	0.97Å	1.00Å
N5	H18	sing	0.97Å	1.00Å
O3	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N4	C1	N2	121.7°	118.9°
N4	C1	N1	116.8°	118.9°
C1	N4	H16	120.0°	120.0°
C1	N4	H17	120.0°	120.0°
C1	N2	C2	116.0°	121.2°
N2	C1	N1	121.5°	122.1°
N2	C2	N3	125.7°	133.6°
N2	C2	C3	125.7°	119.2°
C1	N1	C4	127.6°	120.2°
C1	N1	H14	116.2°	119.9°
O2	C14	C11	125.0°	120.0°
O2	C14	N5	124.0°	120.1°
C2	N3	C6	108.8°	110.1°
N3	C2	C3	108.6°	107.2°
C2	N3	H15	125.6°	124.9°
N3	C6	C5	107.9°	109.7°
N3	C6	H4	126.1°	125.2°
C6	N3	H15	125.6°	125.0°
C2	C3	C4	118.6°	119.1°
C2	C3	C5	107.2°	106.3°
C9	C10	C11	120.1°	119.8°
C10	C9	C8	120.5°	120.1°
C9	C10	H3	119.9°	120.1°
C10	C9	H13	119.7°	119.9°
C10	C11	C14	121.6°	120.1°
C10	C11	C12	119.2°	119.7°
C11	C10	H3	120.0°	120.1°
N1	C4	C3	110.6°	118.2°
N1	C4	O1	120.5°	120.9°
C4	N1	H14	116.2°	119.9°
C6	C5	C3	107.4°	106.7°
C6	C5	C7	126.8°	126.6°
C5	C6	H4	126.0°	125.2°
C9	C8	C7	121.5°	119.8°
C9	C8	C13	119.1°	120.3°
C8	C9	H13	119.7°	120.0°
C11	C14	N5	111.0°	120.0°
C14	C11	C12	119.2°	120.1°
C14	N5	C15	131.3°	119.9°
C14	N5	H18	114.4°	120.0°
C4	C3	C5	134.3°	134.6°
C3	C4	O1	128.9°	120.9°
C3	C5	C7	125.8°	126.7°
C11	C12	C13	120.6°	119.8°
C11	C12	H2	119.7°	120.1°
O4	C21	O3	123.0°	120.0°
O4	C21	C20	127.9°	120.0°
C5	C7	C8	108.5°	109.5°
C5	C7	H11	109.7°	109.5°
C5	C7	H12	109.7°	109.5°
O3	C21	C20	109.1°	120.0°
C21	O3	H19	109.5°	117.0°
C21	C20	C15	123.6°	120.1°
C21	C20	C19	116.5°	120.2°
N5	C15	C20	125.9°	120.2°
N5	C15	C16	115.6°	120.2°
C15	N5	H18	114.3°	120.0°
C15	C20	C19	119.8°	119.7°
C20	C15	C16	118.4°	119.6°
C20	C19	C18	121.0°	120.1°
C20	C19	H7	119.5°	119.9°
C7	C8	C13	119.5°	119.9°
C8	C7	H11	109.7°	109.5°
C8	C7	H12	109.7°	109.5°
C8	C13	C12	120.5°	120.2°
C8	C13	H1	119.8°	119.9°
C15	C16	C17	121.4°	119.9°
C15	C16	H5	119.3°	120.0°
C19	C18	C17	119.2°	120.4°
C19	C18	H6	120.4°	119.8°
C18	C19	H7	119.5°	120.0°
C16	C17	C18	120.1°	120.3°
C16	C17	O5	119.6°	119.9°
C17	C16	H5	119.3°	120.0°
C18	C17	O5	120.3°	119.8°
C17	C18	H6	120.4°	119.8°
C12	C13	H1	119.8°	119.9°
C13	C12	H2	119.7°	120.0°
C17	O5	C22	113.7°	117.0°
O5	C22	H8	109.5°	109.4°
O5	C22	H9	109.5°	109.5°
O5	C22	H10	109.4°	109.5°
H8	C22	H9	109.5°	109.5°
H8	C22	H10	109.4°	109.5°
H9	C22	H10	109.5°	109.5°
H11	C7	H12	109.5°	109.4°
H16	N4	H17	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N4	C1	N2	N1	179.4°	179.3°
N4	C1	N2	C2	179.8°	179.7°
N4	C1	N1	C4	180.0°	180.0°
N4	C1	N1	H14	0.0°	0.7°
C1	N4	H16	H17	180.0°	180.0°
C1	N2	C2	N3	179.9°	179.0°
C1	N2	C2	C3	0.1°	0.6°
N2	C1	N1	C4	0.6°	0.7°
N2	C1	N1	H14	179.4°	180.0°
N2	C1	N4	H16	0.0°	179.3°
N2	C1	N4	H17	180.0°	0.6°
C2	N2	C1	N1	0.4°	1.0°
N2	C2	N3	C3	179.9°	179.7°
N2	C2	N3	C6	179.9°	179.8°
N2	C2	C3	C4	0.0°	0.0°
N2	C2	C3	C5	179.8°	179.8°
N2	C2	N3	H15	0.1°	0.3°
C1	N1	C4	H14	180.0°	179.3°
C1	N1	C4	C3	0.4°	0.0°
C1	N1	C4	O1	179.6°	180.0°
N1	C1	N4	H16	179.4°	0.0°
N1	C1	N4	H17	0.6°	180.0°
O2	C14	C11	C10	11.3°	180.0°
O2	C14	C11	N5	178.9°	180.0°
O2	C14	C11	C12	166.8°	0.0°
O2	C14	N5	C15	3.4°	5.5°
O2	C14	N5	H18	176.6°	174.4°
C2	N3	C6	H15	180.0°	179.5°
C2	N3	C6	C5	0.1°	0.3°
N3	C2	C3	C4	179.9°	179.7°
N3	C2	C3	C5	0.3°	0.5°
C2	N3	C6	H4	180.0°	179.7°
C6	N3	C2	C3	0.2°	0.5°
N3	C6	C5	H4	180.0°	179.9°
N3	C6	C5	C3	0.1°	0.0°
N3	C6	C5	C7	179.5°	179.9°
C2	C3	C4	N1	0.1°	0.3°
C2	C3	C5	C6	0.2°	0.3°
C2	C3	C4	C5	179.8°	179.7°
C2	C3	C4	O1	180.0°	179.7°
C2	C3	C5	C7	179.4°	179.7°
C3	C2	N3	H15	179.8°	180.0°
C9	C10	C11	H3	180.0°	179.6°
C10	C9	C8	H13	180.0°	179.7°
C9	C10	C11	C14	179.5°	179.9°
C9	C10	C11	C12	1.4°	0.0°
C10	C9	C8	C7	179.5°	179.7°
C10	C9	C8	C13	0.1°	0.5°
C11	C10	C9	C8	0.9°	0.3°
C10	C11	C14	C12	178.1°	180.0°
C10	C11	C14	N5	167.6°	0.1°
C10	C11	C12	C13	1.2°	0.0°
C10	C11	C12	H2	178.8°	180.0°
C11	C10	C9	H13	179.1°	180.0°
N1	C4	C3	O1	180.0°	179.9°
N1	C4	C3	C5	179.9°	180.0°
C6	C5	C3	C4	180.0°	180.0°
C6	C5	C3	C7	179.6°	179.9°
C6	C5	C7	C8	118.4°	95.0°
C6	C5	C7	H11	1.4°	25.0°
C6	C5	C7	H12	121.7°	144.9°
C5	C6	N3	H15	179.9°	179.8°
C9	C8	C7	C5	31.3°	89.7°
C9	C8	C7	C13	179.6°	179.8°
C9	C8	C13	C12	0.1°	0.5°
C9	C8	C13	H1	179.9°	179.7°
C8	C9	C10	H3	179.1°	179.9°
C9	C8	C7	H11	88.5°	150.3°
C9	C8	C7	H12	151.2°	30.3°
C11	C14	N5	C15	177.7°	174.5°
C14	C11	C12	C13	179.3°	180.0°
C14	C11	C12	H2	0.7°	0.0°
C14	C11	C10	H3	0.5°	0.3°
C11	C14	N5	H18	2.4°	5.5°
N5	C14	C11	C12	14.3°	180.0°
C14	N5	C15	H18	180.0°	180.0°
C14	N5	C15	C20	88.8°	154.5°
C14	N5	C15	C16	94.2°	25.2°
C4	C3	C5	C7	0.4°	0.0°
C3	C4	N1	H14	179.6°	179.4°
C5	C3	C4	O1	0.2°	0.0°
C3	C5	C7	C8	61.2°	85.1°
C3	C5	C6	H4	179.9°	179.9°
C3	C5	C7	H11	179.0°	155.0°
C3	C5	C7	H12	58.7°	35.0°
O1	C4	N1	H14	0.4°	0.7°
C11	C12	C13	C8	0.4°	0.2°
C11	C12	C13	H2	180.0°	180.0°
C11	C12	C13	H1	179.6°	180.0°
C12	C11	C10	H3	178.6°	179.7°
O4	C21	O3	C20	179.3°	179.9°
O4	C21	C20	C15	1.2°	5.0°
O4	C21	C20	C19	177.1°	175.0°
O4	C21	O3	H19	0.0°	0.0°
C5	C7	C8	H11	119.8°	120.0°
C5	C7	C8	H12	119.9°	120.0°
C5	C7	C8	C13	148.3°	90.0°
C7	C5	C6	H4	0.5°	0.0°
C5	C7	H11	H12	120.5°	120.0°
O3	C21	C20	C15	179.6°	175.0°
O3	C21	C20	C19	2.1°	4.9°
C21	C20	C15	N5	2.8°	0.2°
C21	C20	C15	C19	178.3°	180.0°
C21	C20	C15	C16	179.7°	180.0°
C21	C20	C19	C18	179.7°	179.9°
C21	C20	C19	H7	0.3°	0.0°
C20	C21	O3	H19	179.3°	180.0°
N5	C15	C20	C16	176.9°	179.8°
N5	C15	C20	C19	178.9°	179.8°
N5	C15	C16	C17	179.1°	179.7°
N5	C15	C16	H5	0.9°	0.3°
C15	C20	C19	C18	1.3°	0.0°
C20	C15	C16	C17	1.9°	0.0°
C20	C15	C16	H5	178.1°	180.0°
C15	C20	C19	H7	178.7°	180.0°
C20	C15	N5	H18	91.1°	25.5°
C19	C20	C15	C16	2.0°	0.0°
C20	C19	C18	H7	180.0°	180.0°
C20	C19	C18	C17	0.3°	0.0°
C20	C19	C18	H6	179.7°	180.0°
C7	C8	C13	C12	179.7°	179.7°
C7	C8	C13	H1	0.3°	0.1°
C8	C7	H11	H12	120.4°	120.0°
C7	C8	C9	H13	0.5°	0.0°
C8	C13	C12	H1	180.0°	179.8°
C8	C13	C12	H2	179.6°	179.8°
C13	C8	C7	H11	91.8°	30.0°
C13	C8	C7	H12	28.5°	149.9°
C13	C8	C9	H13	179.9°	179.8°
C15	C16	C17	H5	180.0°	180.0°
C15	C16	C17	C18	1.0°	0.1°
C15	C16	C17	O5	179.4°	180.0°
C16	C15	N5	H18	85.8°	154.8°
C19	C18	C17	C16	0.1°	0.0°
C19	C18	C17	H6	180.0°	180.0°
C19	C18	C17	O5	179.8°	179.9°
C16	C17	C18	O5	179.7°	179.9°
C16	C17	O5	C22	47.9°	180.0°
C16	C17	C18	H6	179.9°	180.0°
C18	C17	O5	C22	131.8°	0.1°
C18	C17	C16	H5	179.0°	179.9°
C17	C18	C19	H7	179.7°	180.0°
O5	C17	C16	H5	0.6°	0.0°
O5	C17	C18	H6	0.2°	0.1°
C17	O5	C22	H8	180.0°	60.0°
C17	O5	C22	H9	60.0°	60.0°
C17	O5	C22	H10	60.0°	180.0°
O5	C22	H8	H9	120.0°	120.0°
O5	C22	H8	H10	120.0°	120.0°
O5	C22	H9	H10	120.0°	120.0°
H1	C13	C12	H2	0.4°	0.0°
H3	C10	C9	H13	0.9°	0.4°
H4	C6	N3	H15	0.0°	0.3°
H6	C18	C19	H7	0.3°	0.0°
H8	C22	H9	H10	120.0°	120.0°

Release date:	2019-10-02
Definition date:	2019-06-24
Last modified:	2019-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	6PFE