KKH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C10	C9	sing	1.39Å	1.37Å	Aromatic
C12	C13	doub	1.38Å	1.38Å	Aromatic
C9	N2	sing	1.40Å	1.43Å
C9	C14	doub	1.39Å	1.39Å	Aromatic
N2	C8	sing	1.35Å	1.36Å
N1	C8	sing	1.35Å	1.37Å
N1	C3	sing	1.40Å	1.42Å
C8	O4	doub	1.22Å	1.24Å
C13	C14	sing	1.38Å	1.39Å	Aromatic
C3	C4	doub	1.39Å	1.38Å	Aromatic
C3	C2	sing	1.39Å	1.40Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C2	C1	doub	1.38Å	1.41Å	Aromatic
C5	C6	doub	1.38Å	1.37Å	Aromatic
O2	B1	sing	1.37Å	1.48Å
C6	C1	sing	1.39Å	1.41Å	Aromatic
C6	C7	sing	1.51Å	1.50Å
C1	B1	sing	1.56Å	1.61Å
O1	C7	sing	1.44Å	1.42Å
O1	B1	sing	1.38Å	1.48Å
B1	O3	sing	1.37Å	1.47Å
C5	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C2	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
O3	H6	sing	0.97Å	0.95Å
C11	H7	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
N1	H12	sing	0.97Å	1.00Å
N2	H13	sing	0.97Å	1.00Å
O2	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C12	120.1°	120.0°
C11	C10	C9	119.9°	119.9°
C10	C11	H7	119.9°	119.9°
C11	C10	H8	120.0°	120.1°
C11	C12	C13	120.0°	120.2°
C12	C11	H7	120.0°	120.0°
C11	C12	H9	120.0°	119.9°
C10	C9	N2	120.3°	120.1°
C10	C9	C14	120.1°	119.8°
C9	C10	H8	120.0°	120.0°
C12	C13	C14	120.3°	120.1°
C13	C12	H9	120.0°	119.9°
C12	C13	H10	119.8°	120.0°
N2	C9	C14	119.3°	120.1°
C9	N2	C8	127.3°	120.0°
C9	N2	H13	116.3°	120.1°
C9	C14	C13	119.5°	119.9°
C9	C14	H11	120.3°	120.0°
N2	C8	N1	113.6°	120.0°
N2	C8	O4	123.3°	120.0°
C8	N2	H13	116.3°	120.0°
C8	N1	C3	126.8°	120.0°
N1	C8	O4	123.1°	120.0°
C8	N1	H12	116.6°	120.0°
N1	C3	C4	119.4°	120.0°
N1	C3	C2	120.6°	120.1°
C3	N1	H12	116.6°	120.0°
C14	C13	H10	119.8°	120.0°
C13	C14	H11	120.3°	120.1°
C4	C3	C2	119.9°	119.9°
C3	C4	C5	119.3°	120.0°
C3	C4	H2	120.4°	120.0°
C3	C2	C1	122.0°	119.8°
C3	C2	H3	119.0°	120.1°
C4	C5	C6	120.6°	120.0°
C4	C5	H1	119.7°	120.0°
C5	C4	H2	120.4°	120.1°
C2	C1	C6	116.0°	120.2°
C2	C1	B1	135.4°	133.6°
C1	C2	H3	119.0°	120.1°
C5	C6	C1	122.1°	120.2°
C5	C6	C7	129.6°	133.5°
C6	C5	H1	119.7°	120.0°
O2	B1	C1	117.0°	110.1°
O2	B1	O1	107.5°	110.2°
O2	B1	O3	109.1°	110.3°
B1	O2	H14	109.5°	114.0°
C1	C6	C7	108.3°	106.3°
C6	C1	B1	108.6°	106.2°
C6	C7	O1	104.6°	106.5°
C6	C7	H4	110.7°	110.0°
C6	C7	H5	110.7°	110.1°
C1	B1	O1	98.4°	106.0°
C1	B1	O3	115.3°	110.1°
C7	O1	B1	111.6°	106.0°
O1	C7	H4	110.7°	110.1°
O1	C7	H5	110.7°	110.1°
O1	B1	O3	108.5°	110.1°
B1	O3	H6	109.5°	114.0°
H4	C7	H5	109.5°	110.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C12	H7	180.0°	179.7°
C11	C10	C9	H8	180.0°	180.0°
C10	C11	C12	C13	0.3°	0.0°
C11	C10	C9	N2	174.6°	180.0°
C11	C10	C9	C14	0.5°	0.0°
C10	C11	C12	H9	179.7°	180.0°
C12	C11	C10	C9	0.1°	0.0°
C11	C12	C13	H9	180.0°	180.0°
C11	C12	C13	C14	0.3°	0.0°
C12	C11	C10	H8	179.9°	180.0°
C11	C12	C13	H10	179.8°	179.9°
C10	C9	N2	C14	175.2°	180.0°
C10	C9	N2	C8	150.0°	146.6°
C10	C9	C14	C13	0.5°	0.0°
C9	C10	C11	H7	179.8°	179.8°
C10	C9	C14	H11	179.5°	180.0°
C10	C9	N2	H13	30.0°	33.3°
C12	C13	C14	C9	0.1°	0.1°
C12	C13	C14	H10	180.0°	179.9°
C13	C12	C11	H7	179.7°	179.8°
C12	C13	C14	H11	179.9°	180.0°
C9	N2	C8	H13	180.0°	180.0°
C9	N2	C8	N1	179.3°	174.8°
C9	N2	C8	O4	1.2°	5.1°
N2	C9	C14	C13	174.7°	179.9°
N2	C9	C10	H8	5.4°	0.0°
N2	C9	C14	H11	5.3°	0.0°
C14	C9	N2	C8	34.8°	33.4°
C9	C14	C13	H11	180.0°	180.0°
C14	C9	C10	H8	179.5°	180.0°
C9	C14	C13	H10	179.8°	179.9°
C14	C9	N2	H13	145.3°	146.6°
N2	C8	N1	O4	179.4°	179.9°
N2	C8	N1	C3	179.9°	175.4°
N2	C8	N1	H12	0.1°	4.7°
C8	N1	C3	H12	180.0°	180.0°
C8	N1	C3	C4	30.1°	144.5°
C8	N1	C3	C2	147.0°	35.5°
N1	C8	N2	H13	0.7°	5.2°
C3	N1	C8	O4	0.7°	4.6°
N1	C3	C4	C2	177.2°	180.0°
N1	C3	C4	C5	177.1°	180.0°
N1	C3	C2	C1	177.3°	180.0°
N1	C3	C4	H2	3.0°	0.0°
N1	C3	C2	H3	2.7°	0.0°
O4	C8	N1	H12	179.3°	175.4°
O4	C8	N2	H13	178.8°	174.9°
C14	C13	C12	H9	179.7°	179.9°
C3	C4	C5	H2	180.0°	180.0°
C4	C3	C2	C1	0.2°	0.0°
C3	C4	C5	C6	0.0°	0.0°
C3	C4	C5	H1	180.0°	179.7°
C4	C3	C2	H3	179.8°	180.0°
C4	C3	N1	H12	149.8°	35.6°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C1	H3	180.0°	180.0°
C3	C2	C1	C6	0.6°	0.1°
C3	C2	C1	B1	179.8°	179.9°
C2	C3	C4	H2	179.8°	180.0°
C2	C3	N1	H12	33.0°	144.4°
C4	C5	C6	H1	180.0°	179.7°
C4	C5	C6	C1	0.5°	0.1°
C4	C5	C6	C7	179.3°	179.5°
C2	C1	C6	C5	0.8°	0.1°
C2	C1	B1	O2	49.3°	42.9°
C2	C1	C6	B1	179.4°	180.0°
C2	C1	C6	C7	179.8°	179.6°
C2	C1	B1	O1	163.9°	162.0°
C2	C1	B1	O3	81.0°	79.0°
C5	C6	C1	C7	179.0°	179.7°
C5	C6	C1	B1	179.8°	179.8°
C5	C6	C7	O1	162.2°	162.4°
C6	C5	C4	H2	180.0°	180.0°
C5	C6	C7	H4	78.5°	78.4°
C5	C6	C7	H5	43.0°	43.1°
O2	B1	C1	C6	131.5°	137.1°
O2	B1	C1	O1	114.6°	119.1°
O2	B1	C1	O3	130.3°	121.8°
O2	B1	O1	C7	150.5°	148.2°
O2	B1	O1	O3	117.8°	121.9°
O2	B1	O3	H6	180.0°	58.2°
C1	C6	C7	O1	16.7°	18.0°
C6	C1	B1	O1	16.9°	18.0°
C6	C1	B1	O3	98.2°	101.1°
C1	C6	C5	H1	179.5°	179.8°
C6	C1	C2	H3	179.4°	179.9°
C1	C6	C7	H4	102.5°	101.3°
C1	C6	C7	H5	135.9°	137.3°
C7	C6	C1	B1	0.8°	0.4°
C6	C7	O1	H4	119.3°	119.2°
C6	C7	O1	H5	119.2°	119.3°
C6	C7	O1	B1	29.8°	29.9°
C7	C6	C5	H1	0.7°	0.2°
C6	C7	H4	H5	122.3°	121.5°
C1	B1	O1	C7	28.6°	29.1°
C1	B1	O1	O3	120.3°	119.1°
B1	C1	C2	H3	0.2°	0.1°
C1	B1	O3	H6	45.9°	179.9°
C1	B1	O2	H14	180.0°	180.0°
C7	O1	B1	O3	91.7°	90.0°
O1	C7	H4	H5	122.2°	121.5°
B1	O1	C7	H4	89.5°	89.4°
B1	O1	C7	H5	149.0°	149.1°
O1	B1	O3	H6	63.2°	63.6°
O1	B1	O2	H14	70.6°	63.5°
O3	B1	O2	H14	46.8°	58.3°
H1	C5	C4	H2	0.0°	0.3°
H7	C11	C10	H8	0.1°	0.3°
H7	C11	C12	H9	0.3°	0.2°
H9	C12	C13	H10	0.2°	0.1°
H10	C13	C14	H11	0.1°	0.1°

Release date:	2019-08-28
Definition date:	2019-06-03
Last modified:	2019-08-23
Release status:	REL
Processing site:	PDBE
Derived from:	6RVF