4K6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	sing	1.53Å	1.51Å
C9	C8	sing	1.51Å	1.49Å
C10	N2	sing	1.46Å	1.46Å
N2	C11	sing	1.35Å	1.34Å
O	C11	doub	1.22Å	1.23Å
C11	C12	sing	1.48Å	1.50Å
C8	N	doub	1.30Å	1.32Å	Aromatic
C8	N1	sing	1.36Å	1.35Å	Aromatic
C17	C12	doub	1.40Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.38Å	Aromatic
N	C4	sing	1.36Å	1.39Å	Aromatic
C12	C13	sing	1.40Å	1.40Å	Aromatic
N1	C3	sing	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.39Å	1.39Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C4	C3	doub	1.40Å	1.39Å	Aromatic
C4	C5	sing	1.40Å	1.39Å	Aromatic
C15	C14	sing	1.39Å	1.39Å	Aromatic
C15	N3	sing	1.40Å	1.43Å
C3	C2	sing	1.39Å	1.39Å	Aromatic
C18	N3	sing	1.36Å	1.36Å	Aromatic
C18	N4	doub	1.30Å	1.30Å	Aromatic
C5	C6	doub	1.37Å	1.39Å	Aromatic
N3	C19	sing	1.36Å	1.36Å	Aromatic
C2	C1	doub	1.38Å	1.39Å	Aromatic
N4	N5	sing	1.29Å	1.39Å	Aromatic
C6	C1	sing	1.39Å	1.42Å	Aromatic
C6	C7	sing	1.51Å	1.51Å
C19	N5	doub	1.30Å	1.30Å	Aromatic
C1	C	sing	1.51Å	1.51Å
C17	H17	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å
N2	H13	sing	0.97Å	1.00Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
N1	H	sing	0.97Å	1.00Å
C2	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C8	112.1°	109.5°
C9	C10	N2	112.3°	109.5°
C9	C10	H11	108.8°	109.4°
C9	C10	H12	108.7°	109.5°
C10	C9	H9	108.8°	109.4°
C10	C9	H10	108.8°	109.5°
C9	C8	N	124.4°	124.9°
C9	C8	N1	122.6°	125.0°
C8	C9	H9	108.8°	109.4°
C8	C9	H10	108.8°	109.5°
C10	N2	C11	121.2°	120.0°
C10	N2	H13	119.4°	120.0°
N2	C10	H11	108.8°	109.5°
N2	C10	H12	108.8°	109.5°
N2	C11	O	121.6°	120.0°
N2	C11	C12	117.7°	120.0°
C11	N2	H13	119.4°	120.0°
O	C11	C12	120.7°	120.0°
C11	C12	C17	116.8°	120.1°
C11	C12	C13	124.1°	120.0°
N	C8	N1	112.9°	110.1°
C8	N	C4	105.2°	109.6°
C8	N1	C3	107.1°	107.4°
C8	N1	H	126.4°	126.3°
C12	C17	C16	120.8°	119.9°
C17	C12	C13	118.6°	119.9°
C12	C17	H17	119.6°	120.0°
C17	C16	C15	120.2°	120.1°
C16	C17	H17	119.6°	120.1°
C17	C16	H16	119.9°	120.0°
N	C4	C3	109.7°	107.0°
N	C4	C5	130.7°	133.6°
C12	C13	C14	120.6°	119.9°
C12	C13	H14	119.7°	120.1°
N1	C3	C4	105.2°	106.0°
N1	C3	C2	133.1°	134.1°
C3	N1	H	126.4°	126.4°
C16	C15	C14	119.7°	120.2°
C16	C15	N3	120.0°	119.9°
C15	C16	H16	119.9°	119.9°
C13	C14	C15	120.0°	120.1°
C13	C14	H15	120.0°	120.0°
C14	C13	H14	119.7°	120.0°
C3	C4	C5	119.6°	119.5°
C4	C3	C2	121.7°	119.9°
C4	C5	C6	119.8°	119.8°
C4	C5	H5	120.1°	120.1°
C14	C15	N3	120.3°	119.9°
C15	C14	H15	120.0°	119.9°
C15	N3	C18	127.8°	127.1°
C15	N3	C19	127.9°	127.1°
C3	C2	C1	119.1°	119.7°
C3	C2	H4	120.4°	120.1°
N3	C18	N4	111.0°	107.2°
C18	N3	C19	104.3°	105.8°
N3	C18	H18	124.5°	126.4°
C18	N4	N5	106.8°	109.9°
N4	C18	H18	124.5°	126.4°
C5	C6	C1	120.1°	120.7°
C5	C6	C7	118.8°	119.6°
C6	C5	H5	120.1°	120.1°
N3	C19	N5	111.0°	107.2°
N3	C19	H19	124.5°	126.5°
C2	C1	C6	119.6°	120.4°
C2	C1	C	119.6°	119.7°
C1	C2	H4	120.5°	120.2°
N4	N5	C19	106.9°	109.9°
C1	C6	C7	121.1°	119.6°
C6	C1	C	120.7°	119.8°
C6	C7	H7	109.5°	109.5°
C6	C7	H8	109.5°	109.5°
C6	C7	H6	109.5°	109.4°
N5	C19	H19	124.5°	126.4°
C1	C	H1	109.5°	109.5°
C1	C	H2	109.5°	109.5°
C1	C	H3	109.5°	109.5°
H11	C10	H12	109.4°	109.5°
H9	C9	H10	109.5°	109.5°
H7	C7	H8	109.5°	109.5°
H7	C7	H6	109.5°	109.5°
H8	C7	H6	109.5°	109.5°
H1	C	H2	109.5°	109.5°
H1	C	H3	109.4°	109.4°
H2	C	H3	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C8	H9	120.4°	119.9°
C10	C9	C8	H10	120.4°	120.0°
C9	C10	N2	H11	120.5°	119.9°
C9	C10	N2	H12	120.4°	120.0°
C9	C10	N2	C11	172.2°	180.0°
C10	C9	C8	N	123.0°	55.1°
C10	C9	C8	N1	61.2°	125.2°
C9	C10	N2	H13	7.8°	0.0°
C9	C10	H11	H12	118.7°	120.0°
C10	C9	H9	H10	118.8°	120.0°
C8	C9	C10	N2	63.7°	180.0°
C9	C8	N	N1	176.1°	179.7°
C9	C8	N	C4	174.9°	179.8°
C9	C8	N1	C3	175.1°	180.0°
C8	C9	C10	H11	56.8°	60.0°
C8	C9	C10	H12	175.9°	60.0°
C8	C9	H9	H10	118.8°	120.0°
C9	C8	N1	H	4.8°	0.0°
C10	N2	C11	H13	180.0°	180.0°
C10	N2	C11	O	3.1°	0.0°
C10	N2	C11	C12	177.3°	179.7°
N2	C10	H11	H12	118.7°	120.0°
N2	C10	C9	H9	56.7°	60.0°
N2	C10	C9	H10	175.9°	60.0°
N2	C11	O	C12	179.6°	179.7°
N2	C11	C12	C17	151.5°	0.5°
N2	C11	C12	C13	36.4°	179.8°
C11	N2	C10	H11	51.7°	60.0°
C11	N2	C10	H12	67.4°	60.0°
O	C11	C12	C17	28.1°	179.7°
O	C11	C12	C13	144.0°	0.0°
O	C11	N2	H13	177.0°	180.0°
C11	C12	C17	C13	172.6°	179.7°
C11	C12	C17	C16	169.7°	180.0°
C11	C12	C13	C14	169.2°	179.7°
C11	C12	C17	H17	10.3°	0.0°
C11	C12	C13	H14	10.8°	0.1°
C12	C11	N2	H13	2.7°	0.3°
N	C8	N1	C3	1.1°	0.3°
C8	N	C4	C3	0.9°	0.4°
C8	N	C4	C5	178.7°	180.0°
N	C8	C9	H9	2.6°	175.0°
N	C8	C9	H10	116.6°	65.0°
N	C8	N1	H	178.9°	179.7°
N1	C8	N	C4	1.3°	0.4°
C8	N1	C3	H	180.0°	180.0°
C8	N1	C3	C4	0.4°	0.0°
C8	N1	C3	C2	176.2°	180.0°
N1	C8	C9	H9	178.4°	5.3°
N1	C8	C9	H10	59.2°	114.7°
C12	C17	C16	H17	180.0°	180.0°
C12	C17	C16	C15	0.6°	0.0°
C17	C12	C13	C14	2.8°	0.6°
C12	C17	C16	H16	179.4°	180.0°
C17	C12	C13	H14	177.2°	179.8°
C16	C17	C12	C13	2.9°	0.3°
C17	C16	C15	H16	180.0°	180.0°
C17	C16	C15	C14	1.7°	0.0°
C17	C16	C15	N3	176.6°	179.9°
N	C4	C3	N1	0.3°	0.2°
N	C4	C3	C5	178.1°	179.7°
N	C4	C3	C2	176.1°	179.7°
N	C4	C5	C6	176.0°	180.0°
N	C4	C5	H5	4.0°	0.1°
C12	C13	C14	H14	180.0°	179.6°
C12	C13	C14	C15	0.5°	0.6°
C13	C12	C17	H17	177.2°	179.7°
C12	C13	C14	H15	179.5°	179.7°
N1	C3	C4	C2	176.4°	180.0°
N1	C3	C4	C5	178.4°	179.9°
N1	C3	C2	C1	174.6°	180.0°
N1	C3	C2	H4	5.4°	0.0°
C16	C15	C14	C13	1.8°	0.3°
C16	C15	C14	N3	178.4°	179.9°
C16	C15	N3	C18	40.3°	0.4°
C16	C15	N3	C19	135.7°	179.9°
C15	C16	C17	H17	179.4°	180.0°
C16	C15	C14	H15	178.2°	180.0°
C13	C14	C15	H15	180.0°	179.7°
C13	C14	C15	N3	176.6°	179.6°
C3	C4	C5	C6	1.6°	0.4°
C4	C3	C2	C1	0.6°	0.0°
C4	C3	N1	H	179.6°	180.0°
C4	C3	C2	H4	179.4°	180.0°
C3	C4	C5	H5	178.3°	179.5°
C5	C4	C3	C2	2.0°	0.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C1	1.3°	0.7°
C4	C5	C6	C7	178.2°	180.0°
C14	C15	N3	C18	141.3°	179.7°
C14	C15	N3	C19	42.7°	0.1°
C14	C15	C16	H16	178.3°	180.0°
C15	C14	C13	H14	179.5°	179.8°
C15	N3	C18	C19	176.8°	179.6°
C15	N3	C18	N4	176.7°	180.0°
C15	N3	C19	N5	176.8°	179.9°
N3	C15	C16	H16	3.3°	0.1°
C15	N3	C19	H19	3.2°	0.2°
C15	N3	C18	H18	3.3°	0.1°
N3	C15	C14	H15	3.4°	0.1°
C3	C2	C1	H4	180.0°	180.0°
C3	C2	C1	C6	3.6°	0.2°
C3	C2	C1	C	172.7°	180.0°
C2	C3	N1	H	3.8°	0.0°
N3	C18	N4	H18	180.0°	179.9°
N3	C18	N4	N5	0.2°	0.4°
C18	N3	C19	N5	0.0°	0.3°
C18	N3	C19	H19	179.9°	179.8°
N4	C18	N3	C19	0.1°	0.4°
C18	N4	N5	C19	0.2°	0.3°
C5	C6	C1	C2	4.0°	0.6°
C5	C6	C1	C7	179.5°	179.3°
C5	C6	C1	C	172.3°	179.7°
C5	C6	C7	H7	89.8°	90.0°
C5	C6	C7	H8	150.3°	150.0°
C5	C6	C7	H6	30.2°	30.0°
N3	C19	N5	N4	0.2°	0.0°
N3	C19	N5	H19	180.0°	180.0°
C19	N3	C18	H18	179.9°	179.7°
C2	C1	C6	C	176.2°	179.7°
C2	C1	C6	C7	175.5°	179.9°
C2	C1	C	H1	88.1°	90.0°
C2	C1	C	H2	151.8°	150.0°
C2	C1	C	H3	31.9°	30.0°
N4	N5	C19	H19	179.8°	180.0°
N5	N4	C18	H18	179.8°	179.7°
C6	C1	C2	H4	176.4°	179.7°
C1	C6	C5	H5	178.7°	179.2°
C1	C6	C7	H7	89.7°	90.7°
C1	C6	C7	H8	30.2°	29.3°
C1	C6	C7	H6	150.3°	149.3°
C6	C1	C	H1	88.1°	90.3°
C6	C1	C	H2	31.9°	29.7°
C6	C1	C	H3	151.9°	149.7°
C7	C6	C1	C	8.2°	0.3°
C7	C6	C5	H5	1.8°	0.1°
C6	C7	H7	H8	120.0°	120.0°
C6	C7	H7	H6	120.0°	120.0°
C6	C7	H8	H6	120.0°	120.0°
C	C1	C2	H4	7.3°	0.0°
C1	C	H1	H2	120.0°	120.0°
C1	C	H1	H3	120.0°	120.0°
C1	C	H2	H3	120.0°	120.0°
H17	C17	C16	H16	0.6°	0.0°
H15	C14	C13	H14	0.5°	0.1°
H13	N2	C10	H11	128.3°	120.0°
H13	N2	C10	H12	112.6°	120.0°
H11	C10	C9	H9	177.2°	180.0°
H11	C10	C9	H10	63.6°	60.0°
H12	C10	C9	H9	63.7°	60.0°
H12	C10	C9	H10	55.5°	180.0°
H7	C7	H8	H6	120.0°	120.0°
H1	C	H2	H3	119.9°	120.0°

Release date:	2015-05-20
Definition date:	2015-03-26
Last modified:	2015-05-15
Release status:	REL
Processing site:	RCSB
Derived from:	4YZU