2YE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N18	C20	sing	1.37Å	1.37Å	Aromatic
N18	C17	sing	1.37Å	1.37Å	Aromatic
N21	C20	doub	1.33Å	1.33Å	Aromatic
N21	C22	sing	1.31Å	1.31Å	Aromatic
C20	C15	sing	1.41Å	1.41Å	Aromatic
C17	C16	doub	1.34Å	1.34Å	Aromatic
C22	C13	doub	1.40Å	1.39Å	Aromatic
C3	N2	sing	1.46Å	1.47Å
C1	N2	sing	1.46Å	1.46Å
C15	C16	sing	1.46Å	1.46Å	Aromatic
C15	C14	doub	1.40Å	1.40Å	Aromatic
N2	C4	sing	1.35Å	1.36Å
C13	C14	sing	1.39Å	1.39Å	Aromatic
C13	C8	sing	1.48Å	1.48Å
C7	C8	doub	1.39Å	1.39Å	Aromatic
C7	C6	sing	1.40Å	1.40Å	Aromatic
C4	C6	sing	1.47Å	1.48Å
C4	O5	doub	1.22Å	1.22Å
C8	C9	sing	1.40Å	1.39Å	Aromatic
C6	C11	doub	1.40Å	1.41Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
C11	C10	sing	1.39Å	1.39Å	Aromatic
C11	N12	sing	1.39Å	1.39Å
C7	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
N12	H3	sing	0.97Å	1.00Å
N12	H4	sing	0.97Å	1.00Å
C17	H5	sing	1.08Å	1.08Å
C22	H6	sing	1.08Å	1.08Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.08Å	1.08Å
N18	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	N18	C17	109.8°	110.0°
N18	C20	N21	132.9°	133.0°
N18	C20	C15	107.1°	106.9°
C20	N18	H16	125.1°	125.0°
N18	C17	C16	110.1°	109.9°
N18	C17	H5	125.0°	125.0°
C17	N18	H16	125.1°	124.9°
C20	N21	C22	121.6°	121.9°
N21	C20	C15	120.0°	120.1°
N21	C22	C13	121.7°	121.4°
N21	C22	H6	119.1°	119.3°
C20	C15	C16	106.0°	106.3°
C20	C15	C14	119.8°	119.6°
C17	C16	C15	106.9°	106.9°
C16	C17	H5	124.9°	125.1°
C17	C16	H11	126.6°	126.6°
C22	C13	C14	119.3°	119.1°
C22	C13	C8	119.1°	120.5°
C13	C22	H6	119.1°	119.3°
C3	N2	C1	118.5°	120.0°
C3	N2	C4	122.8°	120.0°
N2	C3	H12	109.5°	109.5°
N2	C3	H13	109.5°	109.5°
N2	C3	H14	109.4°	109.5°
C1	N2	C4	118.7°	120.0°
N2	C1	H7	109.5°	109.5°
N2	C1	H8	109.4°	109.5°
N2	C1	H9	109.5°	109.5°
C16	C15	C14	134.2°	134.2°
C15	C16	H11	126.6°	126.6°
C15	C14	C13	117.6°	117.9°
C15	C14	H10	121.2°	121.0°
N2	C4	C6	124.0°	120.0°
N2	C4	O5	118.3°	120.0°
C14	C13	C8	121.6°	120.4°
C13	C14	H10	121.2°	121.0°
C13	C8	C7	119.6°	119.9°
C13	C8	C9	120.3°	120.0°
C8	C7	C6	120.2°	119.8°
C7	C8	C9	120.1°	120.1°
C8	C7	H1	119.9°	120.1°
C7	C6	C4	121.6°	120.2°
C7	C6	C11	119.1°	119.7°
C6	C7	H1	119.9°	120.1°
C6	C4	O5	117.7°	120.0°
C4	C6	C11	119.3°	120.1°
C8	C9	C10	120.1°	120.3°
C8	C9	H15	120.0°	119.9°
C6	C11	C10	120.0°	119.9°
C6	C11	N12	120.1°	120.1°
C9	C10	C11	120.5°	120.2°
C9	C10	H2	119.8°	119.9°
C10	C9	H15	119.9°	119.8°
C10	C11	N12	119.8°	120.0°
C11	C10	H2	119.8°	119.9°
C11	N12	H3	109.5°	120.0°
C11	N12	H4	109.5°	120.0°
H3	N12	H4	109.4°	119.9°
H7	C1	H8	109.5°	109.4°
H7	C1	H9	109.5°	109.5°
H8	C1	H9	109.5°	109.4°
H12	C3	H13	109.4°	109.5°
H12	C3	H14	109.5°	109.5°
H13	C3	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	N18	C17	H16	180.0°	179.5°
N18	C20	N21	C15	179.9°	179.7°
N18	C20	N21	C22	179.9°	179.9°
C20	N18	C17	C16	0.2°	0.8°
N18	C20	C15	C16	0.1°	0.0°
N18	C20	C15	C14	180.0°	179.6°
C20	N18	C17	H5	179.8°	180.0°
C17	N18	C20	N21	179.9°	179.2°
C17	N18	C20	C15	0.2°	0.5°
N18	C17	C16	H5	180.0°	179.2°
N18	C17	C16	C15	0.1°	0.8°
N18	C17	C16	H11	179.9°	179.1°
C20	N21	C22	C13	0.1°	0.1°
N21	C20	C15	C16	180.0°	179.8°
N21	C20	C15	C14	0.1°	0.6°
C20	N21	C22	H6	179.9°	180.0°
N21	C20	N18	H16	0.1°	0.2°
C22	N21	C20	C15	0.0°	0.4°
N21	C22	C13	H6	180.0°	179.9°
N21	C22	C13	C14	0.1°	0.1°
N21	C22	C13	C8	179.9°	179.8°
C20	C15	C16	C17	0.0°	0.5°
C20	C15	C16	C14	179.9°	179.5°
C20	C15	C14	C13	0.1°	0.6°
C20	C15	C14	H10	179.9°	179.4°
C20	C15	C16	H11	180.0°	179.4°
C15	C20	N18	H16	179.9°	179.9°
C17	C16	C15	H11	180.0°	179.9°
C17	C16	C15	C14	179.9°	180.0°
C16	C17	N18	H16	179.9°	179.7°
C22	C13	C14	C15	0.0°	0.3°
C22	C13	C14	C8	179.9°	179.7°
C22	C13	C8	C7	46.5°	0.3°
C22	C13	C8	C9	132.6°	179.7°
C22	C13	C14	H10	180.0°	179.7°
C3	N2	C1	C4	179.4°	180.0°
C3	N2	C4	C6	0.6°	5.0°
C3	N2	C4	O5	179.7°	174.8°
C3	N2	C1	H7	180.0°	90.0°
C3	N2	C1	H8	60.0°	150.0°
C3	N2	C1	H9	60.0°	30.0°
N2	C3	H12	H13	120.0°	120.0°
N2	C3	H12	H14	120.0°	120.0°
N2	C3	H13	H14	120.0°	120.0°
C1	N2	C4	C6	180.0°	175.0°
C1	N2	C4	O5	0.3°	5.2°
N2	C1	H7	H8	120.0°	120.0°
N2	C1	H7	H9	120.0°	120.0°
N2	C1	H8	H9	120.0°	120.0°
C1	N2	C3	H12	180.0°	91.9°
C1	N2	C3	H13	60.0°	148.1°
C1	N2	C3	H14	60.0°	28.2°
C16	C15	C14	C13	179.9°	180.0°
C15	C16	C17	H5	179.9°	180.0°
C16	C15	C14	H10	0.1°	0.1°
C15	C14	C13	H10	180.0°	180.0°
C15	C14	C13	C8	180.0°	180.0°
C14	C15	C16	H11	0.1°	0.1°
N2	C4	C6	C7	63.8°	45.9°
N2	C4	C6	O5	179.7°	179.8°
N2	C4	C6	C11	118.4°	134.4°
C4	N2	C1	H7	0.6°	90.0°
C4	N2	C1	H8	120.6°	30.0°
C4	N2	C1	H9	119.4°	150.0°
C4	N2	C3	H12	0.6°	88.1°
C4	N2	C3	H13	119.4°	31.9°
C4	N2	C3	H14	120.6°	151.9°
C14	C13	C8	C7	133.5°	180.0°
C14	C13	C8	C9	47.5°	0.0°
C14	C13	C22	H6	179.9°	179.9°
C13	C8	C7	C9	179.1°	180.0°
C13	C8	C7	C6	178.6°	180.0°
C13	C8	C9	C10	179.4°	179.7°
C13	C8	C7	H1	1.4°	0.1°
C8	C13	C22	H6	0.1°	0.3°
C8	C13	C14	H10	0.1°	0.0°
C13	C8	C9	H15	0.6°	0.0°
C8	C7	C6	H1	180.0°	179.9°
C8	C7	C6	C4	179.1°	180.0°
C8	C7	C6	C11	1.3°	0.3°
C7	C8	C9	C10	0.3°	0.3°
C7	C8	C9	H15	179.7°	180.0°
C7	C6	C4	C11	177.8°	179.7°
C7	C6	C4	O5	115.9°	134.3°
C6	C7	C8	C9	0.5°	0.0°
C7	C6	C11	C10	1.3°	0.3°
C7	C6	C11	N12	179.5°	179.7°
C4	C6	C11	C10	179.1°	180.0°
C4	C6	C11	N12	1.6°	0.1°
C4	C6	C7	H1	0.9°	0.0°
O5	C4	C6	C11	62.0°	45.4°
C8	C9	C10	H15	180.0°	179.7°
C8	C9	C10	C11	0.3°	0.3°
C9	C8	C7	H1	179.5°	180.0°
C8	C9	C10	H2	179.7°	179.7°
C6	C11	C10	C9	0.5°	0.1°
C6	C11	C10	N12	179.3°	180.0°
C11	C6	C7	H1	178.7°	179.8°
C6	C11	C10	H2	179.5°	180.0°
C6	C11	N12	H3	180.0°	8.2°
C6	C11	N12	H4	60.0°	171.9°
C9	C10	C11	H2	180.0°	179.9°
C9	C10	C11	N12	179.8°	180.0°
C10	C11	N12	H3	0.7°	171.8°
C10	C11	N12	H4	120.7°	8.1°
C11	C10	C9	H15	179.7°	180.0°
N12	C11	C10	H2	0.2°	0.1°
C11	N12	H3	H4	120.0°	179.9°
H2	C10	C9	H15	0.3°	0.1°
H5	C17	C16	H11	0.1°	0.0°
H5	C17	N18	H16	0.2°	0.6°
H7	C1	H8	H9	120.0°	120.0°
H12	C3	H13	H14	120.0°	120.0°

Release date:	2022-01-05
Definition date:	2021-06-30
Last modified:	2021-12-31
Release status:	REL
Processing site:	RCSB
Derived from:	7R9L