OFJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N5	C4	sing	1.37Å	1.38Å
O3	C21	doub	1.21Å	1.23Å
C4	N2	sing	1.36Å	1.40Å
C4	N1	doub	1.31Å	1.31Å
N2	C3	sing	1.35Å	1.35Å
N6	C21	sing	1.35Å	1.33Å
C21	C17	sing	1.48Å	1.50Å
N1	C1	sing	1.34Å	1.39Å
O2	C3	doub	1.22Å	1.23Å
C3	C2	sing	1.41Å	1.48Å
C17	C16	doub	1.39Å	1.41Å	Aromatic
C17	C18	sing	1.40Å	1.41Å	Aromatic
C16	C15	sing	1.39Å	1.42Å	Aromatic
C1	C2	doub	1.40Å	1.37Å	Aromatic
C1	N3	sing	1.36Å	1.37Å	Aromatic
C2	C5	sing	1.46Å	1.43Å	Aromatic
C18	C19	doub	1.38Å	1.40Å	Aromatic
O1	C14	doub	1.22Å	1.23Å
C15	N4	sing	1.39Å	1.43Å
C15	C20	doub	1.40Å	1.43Å	Aromatic
C14	N4	sing	1.35Å	1.35Å
C14	C11	sing	1.48Å	1.51Å
N3	C6	sing	1.37Å	1.38Å	Aromatic
C11	C12	doub	1.40Å	1.41Å	Aromatic
C11	C10	sing	1.40Å	1.42Å	Aromatic
C12	C13	sing	1.38Å	1.41Å	Aromatic
C5	C7	sing	1.51Å	1.51Å
C5	C6	doub	1.34Å	1.38Å	Aromatic
C10	C9	doub	1.38Å	1.41Å	Aromatic
C13	C8	doub	1.38Å	1.41Å	Aromatic
C19	C20	sing	1.40Å	1.42Å	Aromatic
C9	C8	sing	1.38Å	1.41Å	Aromatic
C8	C7	sing	1.51Å	1.52Å
C20	C22	sing	1.48Å	1.51Å
C22	O5	doub	1.22Å	1.23Å
C22	O4	sing	1.35Å	1.37Å
N5	H1	sing	0.97Å	1.00Å
N5	H2	sing	0.97Å	1.00Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C19	H12	sing	1.08Å	1.08Å
N2	H13	sing	0.97Å	1.00Å
N3	H14	sing	0.97Å	1.00Å
N4	H15	sing	0.97Å	1.00Å
N6	H16	sing	0.97Å	1.00Å
N6	H17	sing	0.97Å	1.00Å
O4	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N5	C4	N2	111.3°	118.9°
N5	C4	N1	124.3°	118.9°
C4	N5	H1	120.0°	120.0°
C4	N5	H2	120.0°	120.0°
O3	C21	N6	122.5°	120.0°
O3	C21	C17	121.4°	120.0°
N2	C4	N1	124.4°	122.2°
C4	N2	C3	122.6°	120.1°
C4	N2	H13	118.7°	119.9°
C4	N1	C1	114.6°	121.2°
N2	C3	O2	122.0°	120.9°
N2	C3	C2	115.1°	118.2°
C3	N2	H13	118.7°	119.9°
N6	C21	C17	116.0°	120.0°
C21	N6	H16	120.0°	120.0°
C21	N6	H17	120.0°	120.0°
C21	C17	C16	121.0°	119.9°
C21	C17	C18	119.7°	120.0°
N1	C1	C2	126.1°	119.2°
N1	C1	N3	125.8°	133.5°
O2	C3	C2	122.9°	120.9°
C3	C2	C1	117.1°	119.1°
C3	C2	C5	135.1°	134.6°
C16	C17	C18	119.2°	120.1°
C17	C16	C15	121.7°	119.9°
C17	C16	H9	119.1°	120.1°
C17	C18	C19	120.0°	120.2°
C17	C18	H11	120.0°	119.9°
C16	C15	N4	119.3°	120.1°
C16	C15	C20	118.8°	119.8°
C15	C16	H9	119.2°	120.0°
C2	C1	N3	108.1°	107.3°
C1	C2	C5	107.8°	106.3°
C1	N3	C6	109.3°	110.1°
C1	N3	H14	125.3°	125.0°
C2	C5	C7	126.9°	126.6°
C2	C5	C6	106.7°	106.7°
C18	C19	C20	121.5°	120.1°
C19	C18	H11	120.0°	119.9°
C18	C19	H12	119.3°	120.0°
O1	C14	N4	124.8°	120.0°
O1	C14	C11	121.1°	120.0°
N4	C15	C20	121.8°	120.1°
C15	N4	C14	132.2°	120.0°
C15	N4	H15	113.9°	120.0°
C15	C20	C19	118.8°	119.8°
C15	C20	C22	124.2°	120.1°
N4	C14	C11	114.1°	120.0°
C14	N4	H15	113.9°	120.0°
C14	C11	C12	120.7°	120.2°
C14	C11	C10	120.8°	120.1°
N3	C6	C5	108.2°	109.6°
N3	C6	H3	125.9°	125.2°
C6	N3	H14	125.4°	124.9°
C12	C11	C10	118.4°	119.7°
C11	C12	C13	120.5°	119.8°
C11	C12	H10	119.8°	120.1°
C11	C10	C9	121.0°	119.9°
C11	C10	H7	119.5°	120.1°
C12	C13	C8	120.8°	120.2°
C12	C13	H8	119.6°	119.9°
C13	C12	H10	119.7°	120.1°
C7	C5	C6	126.4°	126.7°
C5	C7	C8	110.7°	109.5°
C5	C7	H4	109.2°	109.5°
C5	C7	H5	109.2°	109.5°
C5	C6	H3	125.9°	125.2°
C10	C9	C8	120.4°	120.2°
C10	C9	H6	119.8°	120.0°
C9	C10	H7	119.5°	120.1°
C13	C8	C9	118.9°	120.3°
C13	C8	C7	120.8°	119.8°
C8	C13	H8	119.6°	119.9°
C19	C20	C22	117.0°	120.1°
C20	C19	H12	119.2°	120.0°
C9	C8	C7	120.2°	119.9°
C8	C9	H6	119.8°	119.9°
C8	C7	H4	109.2°	109.4°
C8	C7	H5	109.2°	109.5°
C20	C22	O5	123.6°	120.0°
C20	C22	O4	113.9°	120.0°
O5	C22	O4	122.5°	120.0°
C22	O4	H18	109.5°	117.0°
H1	N5	H2	120.0°	120.0°
H4	C7	H5	109.5°	109.5°
H16	N6	H17	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N5	C4	N2	N1	179.9°	179.2°
N5	C4	N2	C3	180.0°	179.9°
N5	C4	N1	C1	179.9°	179.7°
C4	N5	H1	H2	180.0°	180.0°
N5	C4	N2	H13	0.0°	0.7°
O3	C21	N6	C17	178.7°	179.9°
O3	C21	C17	C16	38.1°	0.1°
O3	C21	C17	C18	143.3°	180.0°
O3	C21	N6	H16	0.0°	180.0°
O3	C21	N6	H17	180.0°	0.0°
C4	N2	C3	H13	180.0°	179.4°
N2	C4	N1	C1	0.2°	0.5°
C4	N2	C3	O2	179.9°	179.5°
C4	N2	C3	C2	0.1°	0.4°
N2	C4	N5	H1	179.9°	0.0°
N2	C4	N5	H2	0.2°	180.0°
N1	C4	N2	C3	0.2°	0.7°
C4	N1	C1	C2	0.1°	0.0°
C4	N1	C1	N3	179.9°	179.7°
N1	C4	N5	H1	0.0°	179.2°
N1	C4	N5	H2	180.0°	0.7°
N1	C4	N2	H13	179.8°	179.9°
N2	C3	O2	C2	180.0°	179.9°
N2	C3	C2	C1	0.0°	0.1°
N2	C3	C2	C5	179.9°	180.0°
N6	C21	C17	C16	143.2°	180.0°
N6	C21	C17	C18	35.4°	0.1°
C21	N6	H16	H17	180.0°	179.9°
C21	C17	C16	C18	178.6°	179.9°
C21	C17	C16	C15	179.5°	180.0°
C21	C17	C18	C19	179.5°	179.9°
C21	C17	C16	H9	0.5°	0.1°
C21	C17	C18	H11	0.5°	0.1°
C17	C21	N6	H16	178.7°	0.1°
C17	C21	N6	H17	1.4°	180.0°
N1	C1	C2	C3	0.1°	0.3°
N1	C1	C2	N3	180.0°	179.8°
N1	C1	C2	C5	180.0°	179.7°
N1	C1	N3	C6	180.0°	179.7°
N1	C1	N3	H14	0.0°	0.2°
O2	C3	C2	C1	180.0°	180.0°
O2	C3	C2	C5	0.1°	0.1°
O2	C3	N2	H13	0.1°	0.1°
C3	C2	C1	C5	179.9°	180.0°
C3	C2	C1	N3	180.0°	180.0°
C3	C2	C5	C7	0.4°	0.0°
C3	C2	C5	C6	179.9°	180.0°
C2	C3	N2	H13	179.9°	179.8°
C17	C16	C15	H9	180.0°	180.0°
C16	C17	C18	C19	0.9°	0.0°
C17	C16	C15	N4	179.0°	179.9°
C17	C16	C15	C20	0.4°	0.2°
C16	C17	C18	H11	179.1°	179.9°
C18	C17	C16	C15	0.9°	0.1°
C17	C18	C19	H11	180.0°	180.0°
C17	C18	C19	C20	0.4°	0.3°
C18	C17	C16	H9	179.1°	180.0°
C17	C18	C19	H12	179.6°	180.0°
C16	C15	N4	C20	179.3°	179.7°
C16	C15	N4	C14	99.5°	42.4°
C16	C15	C20	C19	0.1°	0.6°
C16	C15	C20	C22	179.9°	179.7°
C16	C15	N4	H15	80.6°	137.6°
C2	C1	N3	C6	0.1°	0.0°
C1	C2	C5	C7	179.5°	179.9°
C1	C2	C5	C6	0.0°	0.0°
C2	C1	N3	H14	179.9°	179.9°
N3	C1	C2	C5	0.0°	0.0°
C1	N3	C6	H14	180.0°	179.9°
C1	N3	C6	C5	0.1°	0.0°
C1	N3	C6	H3	179.9°	179.9°
C2	C5	C6	N3	0.0°	0.0°
C2	C5	C7	C6	179.4°	180.0°
C2	C5	C7	C8	60.5°	85.0°
C2	C5	C6	H3	179.9°	179.9°
C2	C5	C7	H4	179.3°	155.0°
C2	C5	C7	H5	59.7°	35.0°
C18	C19	C20	C15	0.1°	0.6°
C18	C19	C20	H12	180.0°	179.7°
C18	C19	C20	C22	179.9°	179.7°
O1	C14	N4	C15	0.5°	4.2°
O1	C14	N4	C11	179.5°	180.0°
O1	C14	C11	C12	6.4°	0.0°
O1	C14	C11	C10	174.1°	180.0°
O1	C14	N4	H15	179.4°	175.8°
C15	N4	C14	H15	180.0°	180.0°
C15	N4	C14	C11	180.0°	175.8°
N4	C15	C20	C19	179.5°	179.8°
N4	C15	C20	C22	0.6°	0.1°
N4	C15	C16	H9	1.0°	0.0°
C20	C15	N4	C14	81.2°	137.2°
C15	C20	C19	C22	179.9°	179.7°
C15	C20	C22	O5	17.8°	5.6°
C15	C20	C22	O4	162.6°	174.3°
C20	C15	C16	H9	179.6°	179.7°
C15	C20	C19	H12	179.9°	179.7°
C20	C15	N4	H15	98.8°	42.8°
N4	C14	C11	C12	173.1°	180.0°
N4	C14	C11	C10	6.4°	0.1°
C14	C11	C12	C10	179.5°	180.0°
C14	C11	C12	C13	179.7°	179.9°
C14	C11	C10	C9	179.8°	180.0°
C14	C11	C10	H7	0.2°	0.1°
C14	C11	C12	H10	0.3°	0.0°
C11	C14	N4	H15	0.0°	4.2°
N3	C6	C5	C7	179.5°	179.9°
N3	C6	C5	H3	180.0°	179.9°
C11	C12	C13	H10	180.0°	180.0°
C12	C11	C10	C9	0.3°	0.0°
C11	C12	C13	C8	0.2°	0.0°
C12	C11	C10	H7	179.7°	179.9°
C11	C12	C13	H8	179.9°	180.0°
C10	C11	C12	C13	0.2°	0.0°
C11	C10	C9	H7	180.0°	179.9°
C11	C10	C9	C8	0.3°	0.1°
C11	C10	C9	H6	179.6°	179.7°
C10	C11	C12	H10	179.8°	180.0°
C12	C13	C8	H8	180.0°	180.0°
C12	C13	C8	C9	0.2°	0.0°
C12	C13	C8	C7	179.7°	179.8°
C5	C7	C8	C13	27.8°	90.3°
C5	C7	C8	C9	151.7°	89.9°
C5	C7	C8	H4	120.2°	120.0°
C5	C7	C8	H5	120.2°	120.0°
C7	C5	C6	H3	0.4°	0.0°
C5	C7	H4	H5	119.4°	120.0°
C6	C5	C7	C8	118.9°	95.0°
C6	C5	C7	H4	1.3°	25.0°
C6	C5	C7	H5	120.9°	145.0°
C5	C6	N3	H14	179.9°	179.9°
C10	C9	C8	C13	0.3°	0.1°
C10	C9	C8	H6	180.0°	179.7°
C10	C9	C8	C7	179.8°	179.7°
C13	C8	C9	C7	179.5°	179.8°
C13	C8	C7	H4	92.4°	149.8°
C13	C8	C7	H5	147.9°	29.8°
C13	C8	C9	H6	179.7°	179.7°
C8	C13	C12	H10	179.9°	180.0°
C19	C20	C22	O5	162.1°	174.7°
C19	C20	C22	O4	17.5°	5.4°
C20	C19	C18	H11	179.6°	179.7°
C9	C8	C7	H4	88.1°	30.0°
C9	C8	C7	H5	31.5°	150.0°
C8	C9	C10	H7	179.6°	180.0°
C9	C8	C13	H8	179.8°	180.0°
C8	C7	H4	H5	119.4°	120.0°
C7	C8	C9	H6	0.2°	0.1°
C7	C8	C13	H8	0.4°	0.2°
C20	C22	O5	O4	179.6°	179.9°
C22	C20	C19	H12	0.0°	0.0°
C20	C22	O4	H18	179.6°	180.0°
O5	C22	O4	H18	0.0°	0.1°
H3	C6	N3	H14	0.1°	0.2°
H6	C9	C10	H7	0.4°	0.3°
H8	C13	C12	H10	0.1°	0.0°
H11	C18	C19	H12	0.4°	0.0°

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