KMU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N26	C25	sing	1.35Å	1.35Å
O27	C25	doub	1.22Å	1.23Å
C25	C20	sing	1.48Å	1.52Å
C21	C20	doub	1.39Å	1.40Å	Aromatic
C21	C22	sing	1.38Å	1.40Å	Aromatic
C20	C7	sing	1.41Å	1.41Å	Aromatic
C22	C23	doub	1.38Å	1.39Å	Aromatic
CL8	C1	sing	1.74Å	1.76Å
C7	C6	sing	1.48Å	1.49Å
C7	C24	doub	1.39Å	1.39Å	Aromatic
C1	C6	doub	1.40Å	1.39Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.38Å	Aromatic
C2	C3	doub	1.38Å	1.38Å	Aromatic
C13	N14	sing	1.47Å	1.48Å
C13	C10	sing	1.53Å	1.56Å
C5	C11	sing	1.52Å	1.51Å
C5	C4	doub	1.39Å	1.37Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
C11	C10	sing	1.55Å	1.57Å
C4	O9	sing	1.36Å	1.39Å
C23	C24	sing	1.38Å	1.40Å	Aromatic
O9	C10	sing	1.44Å	1.45Å
C10	C12	sing	1.51Å	1.55Å
C12	C15	doub	1.38Å	1.41Å	Aromatic
C12	C19	sing	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.40Å	Aromatic
C19	C18	doub	1.38Å	1.40Å	Aromatic
C16	C17	doub	1.38Å	1.39Å	Aromatic
C18	C17	sing	1.38Å	1.40Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C19	H11	sing	1.08Å	1.08Å
C21	H12	sing	1.08Å	1.08Å
C22	H13	sing	1.08Å	1.08Å
C23	H14	sing	1.08Å	1.08Å
C24	H15	sing	1.08Å	1.08Å
N14	H16	sing	1.01Å	1.00Å
N14	H17	sing	1.01Å	1.00Å
N26	H19	sing	0.97Å	1.00Å
N26	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N26	C25	O27	120.6°	120.0°
N26	C25	C20	122.1°	120.0°
C25	N26	H19	120.0°	120.0°
C25	N26	H20	120.0°	120.0°
O27	C25	C20	117.3°	120.0°
C25	C20	C21	120.0°	120.2°
C25	C20	C7	120.9°	120.3°
C20	C21	C22	121.2°	120.0°
C21	C20	C7	119.1°	119.5°
C20	C21	H12	119.4°	120.0°
C21	C22	C23	119.5°	120.4°
C22	C21	H12	119.4°	120.0°
C21	C22	H13	120.2°	119.7°
C20	C7	C6	122.2°	120.2°
C20	C7	C24	119.3°	119.7°
C22	C23	C24	120.0°	120.4°
C23	C22	H13	120.3°	119.8°
C22	C23	H14	120.0°	119.8°
CL8	C1	C6	119.5°	120.2°
CL8	C1	C2	118.6°	120.2°
C6	C7	C24	118.5°	120.2°
C7	C6	C1	121.7°	120.1°
C7	C6	C5	121.2°	120.2°
C7	C24	C23	120.9°	120.0°
C7	C24	H15	119.5°	120.0°
C6	C1	C2	121.7°	119.6°
C1	C6	C5	117.0°	119.7°
C1	C2	C3	120.1°	120.5°
C1	C2	H1	119.9°	119.8°
C6	C5	C11	131.3°	132.1°
C6	C5	C4	121.5°	120.7°
C2	C3	C4	118.2°	120.6°
C3	C2	H1	119.9°	119.7°
C2	C3	H2	120.9°	119.7°
N14	C13	C10	113.3°	109.4°
N14	C13	H5	108.5°	109.5°
N14	C13	H6	108.5°	109.5°
C13	N14	H16	109.5°	111.0°
C13	N14	H17	109.5°	111.1°
C13	C10	C11	109.2°	110.8°
C13	C10	O9	106.5°	110.8°
C13	C10	C12	109.7°	110.7°
C10	C13	H5	108.5°	109.5°
C10	C13	H6	108.5°	109.5°
C11	C5	C4	107.2°	107.2°
C5	C11	C10	101.8°	101.9°
C5	C11	H3	111.3°	111.0°
C5	C11	H4	111.4°	111.0°
C5	C4	C3	121.3°	119.0°
C5	C4	O9	116.1°	111.2°
C3	C4	O9	122.5°	129.8°
C4	C3	H2	120.9°	119.7°
C11	C10	O9	107.8°	102.8°
C11	C10	C12	114.0°	110.7°
C10	C11	H3	111.4°	110.9°
C10	C11	H4	111.4°	110.9°
C4	O9	C10	105.6°	109.3°
C24	C23	H14	120.1°	119.8°
C23	C24	H15	119.6°	120.0°
O9	C10	C12	109.3°	110.9°
C10	C12	C15	121.0°	120.0°
C10	C12	C19	121.0°	120.0°
C15	C12	C19	117.9°	120.0°
C12	C15	C16	122.3°	120.0°
C12	C15	H7	118.9°	120.0°
C12	C19	C18	119.8°	120.0°
C12	C19	H11	120.1°	120.0°
C15	C16	C17	119.1°	120.0°
C16	C15	H7	118.9°	120.0°
C15	C16	H8	120.4°	120.0°
C19	C18	C17	121.8°	120.0°
C19	C18	H10	119.1°	120.0°
C18	C19	H11	120.1°	120.0°
C16	C17	C18	119.0°	120.0°
C17	C16	H8	120.5°	120.0°
C16	C17	H9	120.5°	120.0°
C18	C17	H9	120.5°	120.0°
C17	C18	H10	119.1°	120.0°
H3	C11	H4	109.4°	110.8°
H5	C13	H6	109.5°	109.5°
H16	N14	H17	109.5°	110.9°
H19	N26	H20	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N26	C25	O27	C20	179.5°	180.0°
N26	C25	C20	C21	61.5°	0.3°
N26	C25	C20	C7	119.1°	180.0°
C25	N26	H19	H20	179.9°	180.0°
O27	C25	C20	C21	119.0°	179.8°
O27	C25	C20	C7	60.4°	0.0°
O27	C25	N26	H19	0.0°	180.0°
O27	C25	N26	H20	180.0°	0.0°
C25	C20	C21	C7	179.4°	179.7°
C25	C20	C21	C22	178.2°	179.7°
C25	C20	C7	C6	1.5°	0.2°
C25	C20	C7	C24	178.0°	179.7°
C25	C20	C21	H12	1.8°	0.3°
C20	C25	N26	H19	179.5°	0.0°
C20	C25	N26	H20	0.5°	180.0°
C20	C21	C22	H12	180.0°	180.0°
C20	C21	C22	C23	0.6°	0.0°
C21	C20	C7	C6	179.1°	180.0°
C21	C20	C7	C24	1.5°	0.0°
C20	C21	C22	H13	179.4°	180.0°
C22	C21	C20	C7	1.3°	0.0°
C21	C22	C23	H13	180.0°	180.0°
C21	C22	C23	C24	0.1°	0.0°
C21	C22	C23	H14	179.9°	180.0°
C20	C7	C6	C24	179.5°	179.9°
C20	C7	C6	C1	67.7°	90.0°
C20	C7	C6	C5	109.5°	90.0°
C20	C7	C24	C23	1.0°	0.0°
C7	C20	C21	H12	178.7°	180.0°
C20	C7	C24	H15	179.0°	180.0°
C22	C23	C24	C7	0.3°	0.0°
C22	C23	C24	H14	180.0°	179.9°
C23	C22	C21	H12	179.4°	180.0°
C22	C23	C24	H15	179.7°	180.0°
CL8	C1	C6	C7	4.0°	0.3°
CL8	C1	C6	C2	175.8°	179.8°
CL8	C1	C6	C5	178.7°	179.7°
CL8	C1	C2	C3	177.8°	179.9°
CL8	C1	C2	H1	2.2°	0.1°
C7	C6	C1	C5	177.3°	180.0°
C7	C6	C1	C2	179.9°	180.0°
C7	C6	C5	C11	2.1°	0.4°
C7	C6	C5	C4	178.8°	179.7°
C6	C7	C24	C23	179.5°	180.0°
C6	C7	C24	H15	0.5°	0.0°
C24	C7	C6	C1	112.8°	90.0°
C24	C7	C6	C5	70.0°	90.0°
C7	C24	C23	H15	180.0°	180.0°
C7	C24	C23	H14	179.7°	180.0°
C6	C1	C2	C3	1.9°	0.2°
C1	C6	C5	C11	179.4°	179.6°
C1	C6	C5	C4	1.5°	0.3°
C6	C1	C2	H1	178.1°	179.8°
C2	C1	C6	C5	2.9°	0.0°
C1	C2	C3	H1	180.0°	180.0°
C1	C2	C3	C4	0.5°	0.1°
C1	C2	C3	H2	179.5°	179.9°
C6	C5	C11	C4	179.2°	179.9°
C6	C5	C4	C3	0.8°	0.4°
C6	C5	C11	C10	171.4°	164.4°
C6	C5	C4	O9	178.4°	179.2°
C6	C5	C11	H3	69.8°	46.3°
C6	C5	C11	H4	52.6°	77.5°
C2	C3	C4	C5	1.8°	0.2°
C2	C3	C4	H2	180.0°	180.0°
C2	C3	C4	O9	179.2°	179.3°
N14	C13	C10	H5	120.6°	120.0°
N14	C13	C10	H6	120.6°	120.0°
N14	C13	C10	C11	169.0°	180.0°
N14	C13	C10	O9	52.8°	66.7°
N14	C13	C10	C12	65.4°	56.7°
N14	C13	H5	H6	118.3°	120.0°
C13	N14	H16	H17	120.0°	124.0°
C13	C10	C11	C5	127.4°	93.1°
C13	C10	C11	O9	115.4°	118.3°
C13	C10	C11	C12	123.0°	123.2°
C13	C10	O9	C4	128.9°	90.7°
C13	C10	O9	C12	118.4°	123.3°
C13	C10	C12	C15	28.8°	86.7°
C13	C10	C12	C19	150.7°	92.9°
C13	C10	C11	H3	8.7°	25.1°
C13	C10	C11	H4	113.8°	148.8°
C10	C13	H5	H6	118.2°	120.0°
C10	C13	N14	H16	180.0°	180.0°
C10	C13	N14	H17	60.0°	56.1°
C11	C5	C4	C3	178.5°	179.5°
C5	C11	C10	H3	118.7°	118.2°
C5	C11	C10	H4	118.8°	118.2°
C11	C5	C4	O9	0.9°	0.9°
C5	C11	C10	O9	12.1°	25.3°
C5	C11	C10	C12	109.5°	143.8°
C5	C11	H3	H4	123.5°	123.8°
C5	C4	C3	O9	177.4°	179.5°
C4	C5	C11	C10	7.8°	15.5°
C5	C4	O9	C10	7.2°	18.9°
C5	C4	C3	H2	178.2°	179.8°
C4	C5	C11	H3	111.0°	133.6°
C4	C5	C11	H4	126.6°	102.6°
C3	C4	O9	C10	170.4°	161.6°
C4	C3	C2	H1	179.5°	179.9°
C11	C10	O9	C4	11.8°	27.7°
C11	C10	O9	C12	124.4°	118.4°
C11	C10	C12	C15	94.0°	150.0°
C11	C10	C12	C19	86.4°	30.3°
C10	C11	H3	H4	123.6°	123.7°
C11	C10	C13	H5	70.4°	60.0°
C11	C10	C13	H6	48.4°	60.0°
C4	O9	C10	C12	112.7°	146.0°
O9	C4	C3	H2	0.8°	0.7°
C24	C23	C22	H13	179.9°	180.0°
O9	C10	C12	C15	145.3°	36.6°
O9	C10	C12	C19	34.3°	143.7°
O9	C10	C11	H3	106.7°	143.5°
O9	C10	C11	H4	130.8°	92.9°
O9	C10	C13	H5	173.4°	53.3°
O9	C10	C13	H6	67.7°	173.3°
C10	C12	C15	C19	179.6°	179.7°
C10	C12	C15	C16	178.4°	179.7°
C10	C12	C19	C18	179.3°	179.7°
C12	C10	C11	H3	131.7°	98.1°
C12	C10	C11	H4	9.2°	25.6°
C12	C10	C13	H5	55.2°	176.8°
C12	C10	C13	H6	174.0°	63.2°
C10	C12	C15	H7	1.6°	0.3°
C10	C12	C19	H11	0.7°	0.3°
C12	C15	C16	H7	180.0°	180.0°
C15	C12	C19	C18	1.1°	0.0°
C12	C15	C16	C17	2.8°	0.0°
C12	C15	C16	H8	177.2°	179.9°
C15	C12	C19	H11	178.9°	180.0°
C19	C12	C15	C16	1.2°	0.0°
C12	C19	C18	H11	180.0°	180.0°
C12	C19	C18	C17	1.9°	0.1°
C19	C12	C15	H7	178.8°	180.0°
C12	C19	C18	H10	178.1°	180.0°
C15	C16	C17	H8	180.0°	180.0°
C15	C16	C17	C18	2.0°	0.0°
C15	C16	C17	H9	178.0°	180.0°
C19	C18	C17	C16	0.3°	0.1°
C19	C18	C17	H10	180.0°	179.9°
C19	C18	C17	H9	179.7°	179.9°
C16	C17	C18	H9	180.0°	180.0°
C17	C16	C15	H7	177.2°	180.0°
C16	C17	C18	H10	179.7°	180.0°
C18	C17	C16	H8	178.0°	180.0°
C17	C18	C19	H11	178.1°	180.0°
H1	C2	C3	H2	0.5°	0.1°
H5	C13	N14	H16	59.4°	60.0°
H5	C13	N14	H17	60.6°	176.1°
H6	C13	N14	H16	59.4°	60.0°
H6	C13	N14	H17	179.4°	63.9°
H7	C15	C16	H8	2.8°	0.0°
H8	C16	C17	H9	2.0°	0.0°
H9	C17	C18	H10	0.2°	0.0°
H10	C18	C19	H11	1.9°	0.1°
H12	C21	C22	H13	0.6°	0.0°
H13	C22	C23	H14	0.1°	0.1°
H14	C23	C24	H15	0.3°	0.1°

Release date:	2022-08-17
Definition date:	2022-05-31
Last modified:	2022-08-22
Release status:	REL
Processing site:	PDBE
Derived from:	8A0U