5BK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O9	C8	doub	1.22Å	1.34Å
C8	O10	sing	1.35Å	1.22Å
C8	C6	sing	1.47Å	1.47Å
C6	C7	doub	1.36Å	1.34Å	Aromatic
C6	N5	sing	1.38Å	1.31Å	Aromatic
C7	C3	sing	1.41Å	1.51Å	Aromatic
N5	C4	sing	1.38Å	1.35Å	Aromatic
C15	N14	sing	1.37Å	1.31Å	Aromatic
C15	C13	doub	1.34Å	1.34Å	Aromatic
N14	C21	sing	1.38Å	1.34Å	Aromatic
C13	C16	sing	1.46Å	1.51Å	Aromatic
C3	C4	doub	1.41Å	1.39Å	Aromatic
C3	C12	sing	1.41Å	1.41Å	Aromatic
C21	C16	doub	1.41Å	1.39Å	Aromatic
C21	C20	sing	1.39Å	1.40Å	Aromatic
C4	C2	sing	1.39Å	1.40Å	Aromatic
C16	C17	sing	1.41Å	1.40Å	Aromatic
C20	C19	doub	1.38Å	1.41Å	Aromatic
C17	C12	sing	1.48Å	1.49Å
C17	C18	doub	1.39Å	1.41Å	Aromatic
C12	C11	doub	1.39Å	1.41Å	Aromatic
C19	C18	sing	1.39Å	1.41Å	Aromatic
C2	C1	doub	1.38Å	1.41Å	Aromatic
C11	C1	sing	1.39Å	1.41Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C15	H5	sing	1.08Å	1.08Å
C18	H6	sing	1.08Å	1.08Å
C19	H7	sing	1.08Å	1.08Å
C20	H8	sing	1.08Å	1.08Å
N5	H9	sing	0.97Å	1.00Å
C7	H10	sing	1.08Å	1.08Å
O10	H11	sing	0.97Å	0.95Å
N14	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O9	C8	O10	121.3°	119.9°
O9	C8	C6	120.3°	120.0°
O10	C8	C6	118.3°	120.0°
C8	O10	H11	109.5°	117.0°
C8	C6	C7	125.5°	125.5°
C8	C6	N5	124.5°	125.5°
C7	C6	N5	110.0°	109.0°
C6	C7	C3	106.6°	107.8°
C6	C7	H10	126.7°	126.1°
C6	N5	C4	111.5°	108.7°
C6	N5	H9	124.2°	125.6°
C7	C3	C4	102.8°	107.1°
C7	C3	C12	134.6°	133.4°
C3	C7	H10	126.7°	126.1°
N5	C4	C3	109.1°	107.4°
N5	C4	C2	129.7°	133.0°
C4	N5	H9	124.2°	125.6°
N14	C15	C13	110.2°	109.9°
C15	N14	C21	111.7°	109.8°
N14	C15	H5	124.9°	125.1°
C15	N14	H12	124.2°	125.1°
C15	C13	C16	106.2°	107.0°
C15	C13	H4	126.9°	126.6°
C13	C15	H5	124.9°	125.0°
N14	C21	C16	109.1°	107.2°
N14	C21	C20	128.8°	133.4°
C21	N14	H12	124.2°	125.1°
C13	C16	C21	102.9°	106.1°
C13	C16	C17	135.0°	134.0°
C16	C13	H4	126.9°	126.5°
C4	C3	C12	122.6°	119.6°
C3	C4	C2	121.3°	119.6°
C3	C12	C17	120.2°	120.2°
C3	C12	C11	116.5°	119.5°
C16	C21	C20	122.1°	119.4°
C21	C16	C17	122.1°	119.9°
C21	C20	C19	116.8°	120.3°
C21	C20	H8	121.6°	119.9°
C4	C2	C1	117.3°	120.3°
C4	C2	H2	121.4°	119.8°
C16	C17	C12	121.2°	120.4°
C16	C17	C18	116.3°	119.4°
C20	C19	C18	121.0°	120.8°
C20	C19	H7	119.5°	119.6°
C19	C20	H8	121.6°	119.9°
C12	C17	C18	122.4°	120.3°
C17	C12	C11	123.3°	120.3°
C17	C18	C19	121.6°	120.2°
C17	C18	H6	119.2°	119.9°
C12	C11	C1	121.2°	120.3°
C12	C11	H3	119.4°	119.9°
C19	C18	H6	119.2°	119.8°
C18	C19	H7	119.5°	119.6°
C2	C1	C11	121.2°	120.8°
C2	C1	H1	119.4°	119.6°
C1	C2	H2	121.4°	119.9°
C11	C1	H1	119.4°	119.6°
C1	C11	H3	119.4°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O9	C8	O10	C6	180.0°	180.0°
O9	C8	C6	C7	132.8°	0.0°
O9	C8	C6	N5	49.5°	180.0°
O9	C8	O10	H11	0.0°	0.0°
O10	C8	C6	C7	47.2°	180.0°
O10	C8	C6	N5	130.5°	0.0°
C8	C6	C7	N5	178.0°	180.0°
C8	C6	C7	C3	178.2°	180.0°
C8	C6	N5	C4	178.4°	180.0°
C8	C6	N5	H9	1.7°	0.1°
C8	C6	C7	H10	1.8°	0.0°
C6	C8	O10	H11	180.0°	180.0°
C6	C7	C3	H10	180.0°	180.0°
C7	C6	N5	C4	0.4°	0.1°
C6	C7	C3	C4	0.0°	0.0°
C6	C7	C3	C12	179.7°	180.0°
C7	C6	N5	H9	179.6°	179.9°
N5	C6	C7	C3	0.2°	0.0°
C6	N5	C4	H9	180.0°	179.9°
C6	N5	C4	C3	0.4°	0.1°
C6	N5	C4	C2	179.5°	179.7°
N5	C6	C7	H10	179.8°	180.0°
C7	C3	C4	N5	0.3°	0.0°
C7	C3	C4	C12	179.8°	180.0°
C7	C3	C4	C2	179.6°	179.8°
C7	C3	C12	C17	0.5°	0.1°
C7	C3	C12	C11	179.8°	179.8°
N5	C4	C3	C2	179.9°	179.8°
N5	C4	C3	C12	179.5°	180.0°
N5	C4	C2	C1	179.9°	179.7°
N5	C4	C2	H2	0.1°	0.2°
N14	C15	C13	H5	180.0°	180.0°
C15	N14	C21	H12	180.0°	179.8°
N14	C15	C13	C16	0.3°	0.0°
C15	N14	C21	C16	0.5°	0.4°
C15	N14	C21	C20	179.9°	179.9°
N14	C15	C13	H4	179.7°	179.8°
C13	C15	N14	C21	0.5°	0.2°
C15	C13	C16	H4	180.0°	179.7°
C15	C13	C16	C21	0.0°	0.3°
C15	C13	C16	C17	179.7°	179.7°
C13	C15	N14	H12	179.5°	180.0°
N14	C21	C16	C13	0.3°	0.4°
N14	C21	C16	C20	179.5°	179.6°
N14	C21	C16	C17	179.5°	179.6°
N14	C21	C20	C19	178.6°	179.5°
C21	N14	C15	H5	179.5°	179.8°
N14	C21	C20	H8	1.4°	0.4°
C13	C16	C21	C17	179.8°	180.0°
C13	C16	C21	C20	179.8°	180.0°
C13	C16	C17	C12	1.3°	0.0°
C13	C16	C17	C18	180.0°	180.0°
C16	C13	C15	H5	179.7°	180.0°
C4	C3	C12	C17	179.8°	180.0°
C4	C3	C12	C11	0.5°	0.2°
C3	C4	C2	C1	0.2°	0.1°
C3	C4	C2	H2	179.7°	180.0°
C3	C4	N5	H9	179.6°	179.9°
C4	C3	C7	H10	180.0°	180.0°
C12	C3	C4	C2	0.6°	0.2°
C3	C12	C17	C16	125.1°	65.0°
C3	C12	C17	C11	179.3°	179.8°
C3	C12	C17	C18	53.5°	115.1°
C3	C12	C11	C1	0.0°	0.0°
C3	C12	C11	H3	180.0°	180.0°
C12	C3	C7	H10	0.3°	0.0°
C16	C21	C20	C19	0.8°	0.0°
C21	C16	C17	C12	178.4°	180.0°
C21	C16	C17	C18	0.3°	0.0°
C21	C16	C13	H4	180.0°	180.0°
C16	C21	C20	H8	179.2°	179.9°
C16	C21	N14	H12	179.5°	179.9°
C20	C21	C16	C17	0.0°	0.0°
C21	C20	C19	H8	180.0°	179.9°
C21	C20	C19	C18	1.9°	0.0°
C21	C20	C19	H7	178.2°	179.9°
C20	C21	N14	H12	0.1°	0.3°
C4	C2	C1	H2	180.0°	180.0°
C4	C2	C1	C11	0.2°	0.3°
C4	C2	C1	H1	179.8°	179.9°
C2	C4	N5	H9	0.5°	0.1°
C16	C17	C12	C18	178.6°	180.0°
C16	C17	C12	C11	54.2°	115.2°
C16	C17	C18	C19	1.4°	0.0°
C17	C16	C13	H4	0.3°	0.0°
C16	C17	C18	H6	178.6°	180.0°
C20	C19	C18	C17	2.2°	0.0°
C20	C19	C18	H7	180.0°	180.0°
C20	C19	C18	H6	177.8°	180.0°
C12	C17	C18	C19	177.3°	180.0°
C17	C12	C11	C1	179.3°	179.8°
C17	C12	C11	H3	0.7°	0.2°
C12	C17	C18	H6	2.7°	0.0°
C18	C17	C12	C11	127.2°	64.8°
C17	C18	C19	H6	180.0°	180.0°
C17	C18	C19	H7	177.8°	179.9°
C12	C11	C1	C2	0.3°	0.2°
C12	C11	C1	H3	180.0°	180.0°
C12	C11	C1	H1	179.7°	180.0°
C18	C19	C20	H8	178.1°	179.9°
C2	C1	C11	H1	180.0°	179.8°
C2	C1	C11	H3	179.7°	179.7°
C11	C1	C2	H2	179.8°	179.8°
H1	C1	C2	H2	0.2°	0.0°
H1	C1	C11	H3	0.3°	0.0°
H4	C13	C15	H5	0.3°	0.3°
H5	C15	N14	H12	0.5°	0.0°
H6	C18	C19	H7	2.2°	0.0°
H7	C19	C20	H8	1.8°	0.0°

Release date:	2015-09-30
Definition date:	2015-09-02
Last modified:	2015-09-25
Release status:	REL
Processing site:	EBI
Derived from:	5DJR