KJQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C25	C27	doub	1.38Å	1.39Å	Aromatic
C25	C23	sing	1.38Å	1.39Å	Aromatic
C27	C26	sing	1.38Å	1.39Å	Aromatic
C23	C22	doub	1.38Å	1.40Å	Aromatic
C26	C24	doub	1.38Å	1.40Å	Aromatic
C22	C24	sing	1.38Å	1.40Å	Aromatic
C22	CA	sing	1.51Å	1.43Å
C	CA	sing	1.53Å	1.53Å
C	O	sing	1.43Å	1.43Å
CA	N	sing	1.47Å	1.50Å
N	C6	sing	1.38Å	1.35Å
N8	C6	doub	1.33Å	1.35Å	Aromatic
N8	C9	sing	1.32Å	1.39Å	Aromatic
C6	C3	sing	1.40Å	1.37Å	Aromatic
C9	N7	doub	1.32Å	1.39Å	Aromatic
C19	C20	doub	1.38Å	1.39Å	Aromatic
C19	C12	sing	1.38Å	1.40Å	Aromatic
C3	C4	doub	1.41Å	1.35Å	Aromatic
C3	C2	sing	1.47Å	1.36Å	Aromatic
C20	C16	sing	1.38Å	1.39Å	Aromatic
N7	C4	sing	1.33Å	1.34Å	Aromatic
C12	C11	doub	1.40Å	1.40Å	Aromatic
C16	C13	doub	1.38Å	1.40Å	Aromatic
C11	C13	sing	1.39Å	1.40Å	Aromatic
C11	C2	sing	1.48Å	1.34Å
C4	O5	sing	1.34Å	1.30Å	Aromatic
C2	C1	doub	1.37Å	1.36Å	Aromatic
O5	C1	sing	1.35Å	1.29Å	Aromatic
C1	C10	sing	1.48Å	1.35Å
C10	C14	doub	1.40Å	1.40Å	Aromatic
C10	C15	sing	1.40Å	1.41Å	Aromatic
C14	C17	sing	1.38Å	1.40Å	Aromatic
C15	C18	doub	1.38Å	1.39Å	Aromatic
C17	C21	doub	1.38Å	1.39Å	Aromatic
C18	C21	sing	1.38Å	1.39Å	Aromatic
C9	H1	sing	1.08Å	1.08Å
C23	H2	sing	1.08Å	1.08Å
C25	H3	sing	1.08Å	1.08Å
C27	H4	sing	1.08Å	1.08Å
C26	H5	sing	1.08Å	1.08Å
C24	H6	sing	1.08Å	1.08Å
CA	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
O	H10	sing	0.97Å	0.95Å
N	H11	sing	0.97Å	1.00Å
C14	H12	sing	1.08Å	1.08Å
C17	H13	sing	1.08Å	1.08Å
C21	H14	sing	1.08Å	1.08Å
C18	H15	sing	1.08Å	1.08Å
C15	H16	sing	1.08Å	1.08Å
C13	H17	sing	1.08Å	1.08Å
C16	H18	sing	1.08Å	1.08Å
C20	H19	sing	1.08Å	1.08Å
C19	H20	sing	1.08Å	1.08Å
C12	H21	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C27	C25	C23	120.0°	120.0°
C25	C27	C26	119.5°	120.0°
C27	C25	H3	120.0°	120.0°
C25	C27	H4	120.3°	120.0°
C25	C23	C22	121.2°	120.0°
C25	C23	H2	119.4°	120.0°
C23	C25	H3	120.0°	120.0°
C27	C26	C24	120.5°	120.0°
C26	C27	H4	120.2°	120.0°
C27	C26	H5	119.8°	120.1°
C23	C22	C24	118.1°	120.0°
C23	C22	CA	118.4°	120.0°
C22	C23	H2	119.4°	120.0°
C26	C24	C22	120.6°	120.0°
C24	C26	H5	119.8°	119.9°
C26	C24	H6	119.7°	120.0°
C24	C22	CA	123.4°	120.0°
C22	C24	H6	119.7°	120.0°
C22	CA	C	108.4°	109.5°
C22	CA	N	114.3°	109.4°
C22	CA	H7	108.9°	109.5°
CA	C	O	106.0°	109.5°
C	CA	N	109.4°	109.5°
C	CA	H7	107.7°	109.5°
CA	C	H8	110.3°	109.5°
CA	C	H9	110.3°	109.5°
O	C	H8	110.3°	109.5°
O	C	H9	110.4°	109.5°
C	O	H10	109.5°	114.0°
CA	N	C6	122.2°	120.0°
N	CA	H7	108.0°	109.5°
CA	N	H11	106.2°	120.0°
N	C6	N8	117.1°	120.8°
N	C6	C3	121.6°	120.9°
C6	N	H11	106.2°	120.0°
C6	N8	C9	120.9°	120.9°
N8	C6	C3	121.3°	118.3°
N8	C9	N7	117.5°	122.7°
N8	C9	H1	121.2°	118.6°
C6	C3	C4	117.7°	118.9°
C6	C3	C2	137.6°	135.3°
C9	N7	C4	119.8°	120.8°
N7	C9	H1	121.3°	118.6°
C20	C19	C12	119.9°	120.1°
C19	C20	C16	119.6°	120.3°
C19	C20	H19	120.2°	119.9°
C20	C19	H20	120.0°	119.9°
C19	C12	C11	120.8°	119.9°
C12	C19	H20	120.0°	119.9°
C19	C12	H21	119.6°	120.1°
C4	C3	C2	104.6°	105.9°
C3	C4	N7	122.8°	118.4°
C3	C4	O5	109.5°	107.7°
C3	C2	C11	125.7°	127.2°
C3	C2	C1	108.1°	105.7°
C20	C16	C13	120.6°	120.1°
C20	C16	H18	119.7°	120.0°
C16	C20	H19	120.2°	119.8°
N7	C4	O5	127.7°	133.9°
C12	C11	C13	119.0°	119.7°
C12	C11	C2	119.4°	120.1°
C11	C12	H21	119.6°	120.1°
C16	C13	C11	120.1°	119.9°
C16	C13	H17	120.0°	120.0°
C13	C16	H18	119.7°	119.9°
C13	C11	C2	121.5°	120.1°
C11	C13	H17	119.9°	120.1°
C11	C2	C1	126.2°	127.1°
C4	O5	C1	110.5°	111.2°
C2	C1	O5	107.3°	109.5°
C2	C1	C10	133.6°	125.3°
O5	C1	C10	119.1°	125.2°
C1	C10	C14	125.4°	120.2°
C1	C10	C15	116.9°	120.1°
C14	C10	C15	117.7°	119.7°
C10	C14	C17	120.8°	119.8°
C10	C14	H12	119.6°	120.1°
C10	C15	C18	121.5°	119.8°
C10	C15	H16	119.3°	120.1°
C14	C17	C21	120.5°	120.2°
C17	C14	H12	119.6°	120.1°
C14	C17	H13	119.7°	119.9°
C15	C18	C21	120.1°	120.2°
C15	C18	H15	119.9°	119.9°
C18	C15	H16	119.2°	120.1°
C17	C21	C18	119.4°	120.3°
C21	C17	H13	119.7°	119.9°
C17	C21	H14	120.3°	119.9°
C18	C21	H14	120.3°	119.8°
C21	C18	H15	120.0°	119.9°
H8	C	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C27	C25	C23	H3	180.0°	180.0°
C25	C27	C26	H4	180.0°	179.9°
C27	C25	C23	C22	0.4°	0.0°
C25	C27	C26	C24	0.5°	0.0°
C27	C25	C23	H2	179.6°	179.7°
C25	C27	C26	H5	179.5°	179.9°
C23	C25	C27	C26	0.0°	0.0°
C25	C23	C22	H2	180.0°	179.7°
C25	C23	C22	C24	0.2°	0.0°
C25	C23	C22	CA	180.0°	179.7°
C23	C25	C27	H4	179.9°	179.9°
C27	C26	C24	H5	180.0°	179.9°
C27	C26	C24	C22	0.7°	0.0°
C26	C27	C25	H3	180.0°	179.9°
C27	C26	C24	H6	179.3°	180.0°
C23	C22	C24	C26	0.3°	0.0°
C23	C22	C24	CA	179.7°	179.8°
C23	C22	CA	C	65.5°	100.0°
C23	C22	CA	N	172.3°	140.0°
C22	C23	C25	H3	179.6°	180.0°
C23	C22	C24	H6	179.7°	180.0°
C23	C22	CA	H7	51.4°	20.0°
C26	C24	C22	H6	180.0°	180.0°
C26	C24	C22	CA	179.4°	179.7°
C24	C26	C27	H4	179.5°	179.9°
C24	C22	CA	C	114.8°	80.2°
C24	C22	CA	N	7.5°	39.8°
C24	C22	C23	H2	179.8°	179.7°
C22	C24	C26	H5	179.3°	180.0°
C24	C22	CA	H7	128.4°	159.7°
C22	CA	C	N	125.2°	120.0°
C22	CA	C	H7	117.7°	120.0°
C22	CA	C	O	170.0°	55.0°
C22	CA	N	H7	121.4°	119.9°
C22	CA	N	C6	73.2°	155.0°
CA	C22	C23	H2	0.1°	0.1°
CA	C22	C24	H6	0.6°	0.2°
C22	CA	C	H8	50.6°	175.0°
C22	CA	C	H9	70.5°	65.0°
C22	CA	N	H11	165.0°	25.1°
CA	C	O	H8	119.4°	120.0°
CA	C	O	H9	119.4°	120.0°
C	CA	N	H7	116.9°	120.0°
C	CA	N	C6	165.1°	85.0°
CA	C	H8	H9	121.6°	120.0°
CA	C	O	H10	180.0°	180.0°
C	CA	N	H11	43.3°	94.9°
O	C	CA	N	64.7°	65.0°
O	C	CA	H7	52.4°	175.0°
O	C	H8	H9	121.6°	120.0°
CA	N	C6	H11	121.8°	179.9°
CA	N	C6	N8	14.9°	0.1°
CA	N	C6	C3	166.8°	180.0°
N	CA	C	H8	175.8°	55.0°
N	CA	C	H9	54.7°	175.0°
N	C6	N8	C3	178.3°	180.0°
N	C6	N8	C9	179.0°	179.6°
N	C6	C3	C4	178.8°	179.9°
N	C6	C3	C2	1.4°	0.3°
C6	N	CA	H7	48.2°	35.1°
C6	N8	C9	N7	0.3°	0.7°
N8	C6	C3	C4	0.5°	0.0°
N8	C6	C3	C2	179.6°	179.7°
C6	N8	C9	H1	179.7°	180.0°
N8	C6	N	H11	136.6°	179.9°
C9	N8	C6	C3	0.6°	0.4°
N8	C9	N7	H1	180.0°	179.4°
N8	C9	N7	C4	0.1°	0.5°
C6	C3	C4	C2	179.9°	179.8°
C6	C3	C4	N7	0.1°	0.1°
C6	C3	C2	C11	0.6°	0.2°
C6	C3	C4	O5	179.5°	179.8°
C6	C3	C2	C1	179.6°	179.7°
C3	C6	N	H11	45.0°	0.1°
C9	N7	C4	C3	0.2°	0.1°
C9	N7	C4	O5	179.8°	180.0°
C20	C19	C12	H20	180.0°	179.9°
C19	C20	C16	H19	180.0°	180.0°
C20	C19	C12	C11	0.8°	0.5°
C19	C20	C16	C13	0.2°	0.1°
C19	C20	C16	H18	179.8°	180.0°
C20	C19	C12	H21	179.2°	180.0°
C12	C19	C20	C16	0.2°	0.1°
C19	C12	C11	H21	180.0°	179.5°
C19	C12	C11	C13	0.8°	0.5°
C19	C12	C11	C2	179.9°	179.8°
C12	C19	C20	H19	179.8°	179.8°
C3	C4	N7	O5	179.6°	179.9°
C4	C3	C2	C11	179.3°	180.0°
C4	C3	C2	C1	0.2°	0.0°
C3	C4	O5	C1	0.3°	0.0°
C2	C3	C4	N7	180.0°	179.9°
C3	C2	C11	C12	66.1°	67.7°
C3	C2	C11	C13	114.8°	112.6°
C3	C2	C11	C1	178.9°	180.0°
C2	C3	C4	O5	0.4°	0.0°
C3	C2	C1	O5	0.0°	0.0°
C3	C2	C1	C10	178.7°	180.0°
C20	C16	C13	H18	180.0°	179.9°
C20	C16	C13	C11	0.1°	0.0°
C20	C16	C13	H17	179.9°	179.9°
C16	C20	C19	H20	179.7°	180.0°
N7	C4	O5	C1	180.0°	179.9°
C4	N7	C9	H1	179.9°	179.9°
C12	C11	C13	C16	0.4°	0.3°
C12	C11	C13	C2	179.1°	179.7°
C12	C11	C2	C1	112.8°	112.3°
C12	C11	C13	H17	179.6°	179.8°
C11	C12	C19	H20	179.2°	179.7°
C16	C13	C11	H17	180.0°	179.9°
C16	C13	C11	C2	179.5°	180.0°
C13	C16	C20	H19	179.8°	179.9°
C13	C11	C2	C1	66.3°	67.4°
C11	C13	C16	H18	179.9°	179.9°
C13	C11	C12	H21	179.2°	179.9°
C11	C2	C1	O5	179.1°	180.0°
C11	C2	C1	C10	0.3°	0.0°
C2	C11	C13	H17	0.5°	0.1°
C2	C11	C12	H21	0.1°	0.3°
C4	O5	C1	C2	0.2°	0.0°
C4	O5	C1	C10	179.2°	180.0°
C2	C1	O5	C10	179.0°	180.0°
C2	C1	C10	C14	18.7°	132.8°
C2	C1	C10	C15	164.4°	47.5°
O5	C1	C10	C14	160.0°	47.2°
O5	C1	C10	C15	16.9°	132.5°
C1	C10	C14	C15	176.8°	179.7°
C1	C10	C14	C17	178.4°	180.0°
C1	C10	C15	C18	178.6°	179.7°
C1	C10	C14	H12	1.6°	0.1°
C1	C10	C15	H16	1.4°	0.1°
C10	C14	C17	H12	180.0°	179.9°
C14	C10	C15	C18	1.5°	0.6°
C10	C14	C17	C21	0.8°	0.0°
C10	C14	C17	H13	179.2°	179.9°
C14	C10	C15	H16	178.5°	179.6°
C15	C10	C14	C17	1.5°	0.3°
C10	C15	C18	H16	180.0°	179.8°
C10	C15	C18	C21	0.8°	0.6°
C15	C10	C14	H12	178.5°	179.8°
C10	C15	C18	H15	179.2°	179.7°
C14	C17	C21	H13	180.0°	179.9°
C14	C17	C21	C18	0.0°	0.0°
C14	C17	C21	H14	180.0°	180.0°
C15	C18	C21	C17	0.0°	0.3°
C15	C18	C21	H15	180.0°	179.7°
C15	C18	C21	H14	180.0°	179.7°
C17	C21	C18	H14	180.0°	179.9°
C21	C17	C14	H12	179.2°	179.9°
C17	C21	C18	H15	180.0°	180.0°
C18	C21	C17	H13	180.0°	180.0°
C21	C18	C15	H16	179.2°	179.7°
H2	C23	C25	H3	0.4°	0.4°
H3	C25	C27	H4	0.0°	0.1°
H4	C27	C26	H5	0.5°	0.0°
H5	C26	C24	H6	0.7°	0.1°
H7	CA	C	H8	67.1°	65.0°
H7	CA	C	H9	171.8°	54.9°
H7	CA	N	H11	73.6°	145.1°
H8	C	O	H10	60.5°	59.9°
H9	C	O	H10	60.6°	60.0°
H12	C14	C17	H13	0.8°	0.0°
H13	C17	C21	H14	0.0°	0.1°
H14	C21	C18	H15	0.0°	0.0°
H15	C18	C15	H16	0.8°	0.0°
H17	C13	C16	H18	0.1°	0.0°
H18	C16	C20	H19	0.2°	0.1°
H19	C20	C19	H20	0.3°	0.0°
H20	C19	C12	H21	0.8°	0.2°

Release date:	2013-06-19
Definition date:	2013-03-25
Last modified:	2013-06-14
Release status:	REL
Processing site:	PDBJ
Derived from:	4JQ7