9U6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C16	doub	1.38Å	1.38Å	Aromatic
C17	C18	sing	1.38Å	1.38Å	Aromatic
C16	C15	sing	1.38Å	1.38Å	Aromatic
C18	C19	doub	1.38Å	1.38Å	Aromatic
C15	C14	sing	1.51Å	1.53Å
C15	C20	doub	1.38Å	1.39Å	Aromatic
C19	C20	sing	1.38Å	1.38Å	Aromatic
C14	O13	sing	1.45Å	1.39Å
O13	C11	sing	1.35Å	1.40Å
C8	C9	sing	1.53Å	1.53Å
C8	SE7	sing	1.96Å	1.95Å
C9	N10	sing	1.46Å	1.45Å
N10	C11	sing	1.35Å	1.45Å
C11	O12	doub	1.22Å	1.18Å
SE7	CB	sing	1.96Å	1.95Å
CB	CA	sing	1.53Å	1.53Å
O	C	doub	1.21Å	1.26Å
CA	C	sing	1.51Å	1.53Å
CA	N	sing	1.47Å	1.45Å
C	OXT	sing	1.34Å	1.26Å
C17	H17	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
CA	HA	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C16	H16	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
N10	H10	sing	0.97Å	1.00Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C17	C18	120.2°	120.0°
C17	C16	C15	120.1°	120.0°
C16	C17	H17	119.9°	120.0°
C17	C16	H16	119.9°	120.0°
C17	C18	C19	120.1°	120.0°
C18	C17	H17	119.9°	120.0°
C17	C18	H18	120.0°	120.0°
C16	C15	C14	118.4°	120.0°
C16	C15	C20	119.5°	120.0°
C15	C16	H16	120.0°	120.0°
C18	C19	C20	119.6°	120.0°
C19	C18	H18	120.0°	120.0°
C18	C19	H19	120.2°	120.0°
C14	C15	C20	122.1°	120.0°
C15	C14	O13	111.1°	109.5°
C15	C14	H14	109.1°	109.4°
C15	C14	H15	109.1°	109.5°
C15	C20	C19	120.5°	120.1°
C15	C20	H20	119.7°	120.0°
C19	C20	H20	119.8°	120.0°
C20	C19	H19	120.2°	120.0°
C14	O13	C11	115.1°	117.0°
O13	C14	H14	109.1°	109.5°
O13	C14	H15	109.1°	109.5°
O13	C11	N10	121.0°	120.0°
O13	C11	O12	118.8°	120.0°
C9	C8	SE7	108.9°	109.4°
C8	C9	N10	112.1°	109.4°
C9	C8	H6	109.6°	109.5°
C9	C8	H7	109.6°	109.4°
C8	C9	H8	108.8°	109.4°
C8	C9	H9	108.8°	109.5°
C8	SE7	CB	110.1°	101.0°
SE7	C8	H6	109.6°	109.5°
SE7	C8	H7	109.6°	109.5°
C9	N10	C11	119.0°	120.0°
N10	C9	H8	108.8°	109.5°
N10	C9	H9	108.8°	109.5°
C9	N10	H10	120.5°	120.0°
N10	C11	O12	120.1°	120.0°
C11	N10	H10	120.5°	120.0°
SE7	CB	CA	106.7°	109.5°
SE7	CB	HB2	110.2°	109.5°
SE7	CB	HB3	110.2°	109.5°
CB	CA	C	115.2°	109.5°
CB	CA	N	107.4°	109.4°
CB	CA	HA	107.8°	109.4°
CA	CB	HB2	110.2°	109.5°
CA	CB	HB3	110.2°	109.5°
O	C	CA	121.1°	120.0°
O	C	OXT	119.6°	120.0°
C	CA	N	109.7°	109.5°
CA	C	OXT	119.4°	120.0°
C	CA	HA	107.8°	109.5°
N	CA	HA	108.8°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
C	OXT	HXT	109.5°	117.0°
HB2	CB	HB3	109.5°	109.4°
H6	C8	H7	109.5°	109.5°
H8	C9	H9	109.5°	109.5°
H14	C14	H15	109.4°	109.5°
H	N	H2	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C17	C18	H17	180.0°	180.0°
C17	C16	C15	H16	180.0°	179.9°
C16	C17	C18	C19	0.4°	0.2°
C17	C16	C15	C14	179.6°	180.0°
C17	C16	C15	C20	0.1°	0.3°
C16	C17	C18	H18	179.6°	179.9°
C18	C17	C16	C15	0.1°	0.1°
C17	C18	C19	H18	180.0°	179.7°
C17	C18	C19	C20	0.8°	0.3°
C18	C17	C16	H16	179.9°	179.9°
C17	C18	C19	H19	179.2°	180.0°
C16	C15	C14	C20	179.4°	179.7°
C16	C15	C20	C19	0.3°	0.3°
C16	C15	C14	O13	158.3°	89.7°
C15	C16	C17	H17	180.0°	179.9°
C16	C15	C20	H20	179.7°	179.7°
C16	C15	C14	H14	81.4°	30.3°
C16	C15	C14	H15	38.0°	150.3°
C18	C19	C20	C15	0.8°	0.0°
C18	C19	C20	H19	180.0°	179.7°
C19	C18	C17	H17	179.5°	179.8°
C18	C19	C20	H20	179.2°	180.0°
C14	C15	C20	C19	179.1°	180.0°
C15	C14	O13	H14	120.2°	120.0°
C15	C14	O13	H15	120.3°	120.0°
C15	C14	O13	C11	85.8°	180.0°
C14	C15	C20	H20	0.8°	0.0°
C15	C14	H14	H15	119.3°	120.0°
C14	C15	C16	H16	0.4°	0.1°
C15	C20	C19	H20	180.0°	180.0°
C20	C15	C14	O13	22.3°	90.0°
C20	C15	C14	H14	98.0°	150.0°
C20	C15	C14	H15	142.5°	30.0°
C20	C15	C16	H16	179.9°	179.8°
C15	C20	C19	H19	179.2°	179.7°
C20	C19	C18	H18	179.1°	180.0°
C14	O13	C11	N10	19.0°	180.0°
C14	O13	C11	O12	159.3°	0.0°
O13	C14	H14	H15	119.3°	120.0°
O13	C11	N10	C9	109.0°	180.0°
O13	C11	N10	O12	178.3°	180.0°
C11	O13	C14	H14	34.4°	60.0°
C11	O13	C14	H15	153.9°	60.0°
O13	C11	N10	H10	71.0°	0.0°
C9	C8	SE7	H6	119.9°	120.0°
C9	C8	SE7	H7	119.9°	120.0°
C8	C9	N10	H8	120.4°	119.9°
C8	C9	N10	H9	120.4°	120.0°
C8	C9	N10	C11	167.6°	180.0°
C9	C8	SE7	CB	111.0°	180.0°
C9	C8	H6	H7	120.2°	120.0°
C8	C9	H8	H9	118.8°	120.0°
C8	C9	N10	H10	12.4°	0.0°
SE7	C8	C9	N10	72.2°	180.0°
C8	SE7	CB	CA	122.6°	180.0°
C8	SE7	CB	HB2	3.0°	60.0°
C8	SE7	CB	HB3	117.9°	59.9°
SE7	C8	H6	H7	120.3°	120.1°
SE7	C8	C9	H8	167.5°	60.0°
SE7	C8	C9	H9	48.2°	60.0°
C9	N10	C11	H10	180.0°	180.0°
C9	N10	C11	O12	69.3°	0.0°
N10	C9	C8	H6	167.9°	60.0°
N10	C9	C8	H7	47.8°	60.0°
N10	C9	H8	H9	118.8°	120.1°
C11	N10	C9	H8	72.1°	60.0°
C11	N10	C9	H9	47.2°	60.0°
O12	C11	N10	H10	110.7°	180.0°
SE7	CB	CA	HB2	119.6°	120.0°
SE7	CB	CA	HB3	119.6°	120.0°
SE7	CB	CA	C	174.6°	175.0°
SE7	CB	CA	N	62.8°	65.0°
SE7	CB	CA	HA	54.2°	55.0°
SE7	CB	HB2	HB3	121.3°	120.0°
CB	SE7	C8	H6	8.9°	60.0°
CB	SE7	C8	H7	129.1°	60.0°
CB	CA	C	O	14.5°	100.0°
CB	CA	C	N	121.4°	120.0°
CB	CA	C	HA	120.4°	120.0°
CB	CA	N	HA	116.4°	119.9°
CB	CA	C	OXT	165.9°	80.0°
CA	CB	HB2	HB3	121.3°	120.0°
CB	CA	N	H	180.0°	60.0°
CB	CA	N	H2	60.0°	63.9°
O	C	CA	OXT	179.5°	180.0°
O	C	CA	N	135.9°	20.0°
O	C	CA	HA	105.8°	140.0°
O	C	OXT	HXT	0.0°	0.0°
C	CA	N	HA	117.6°	120.1°
C	CA	CB	HB2	55.0°	64.9°
C	CA	CB	HB3	65.9°	55.0°
C	CA	N	H	54.1°	60.0°
C	CA	N	H2	66.0°	176.1°
CA	C	OXT	HXT	179.5°	180.0°
N	CA	C	OXT	44.6°	160.0°
N	CA	CB	HB2	177.6°	55.1°
N	CA	CB	HB3	56.7°	175.0°
CA	N	H	H2	120.0°	124.0°
OXT	C	CA	HA	73.7°	39.9°
H17	C17	C16	H16	0.0°	0.1°
H17	C17	C18	H18	0.5°	0.1°
H20	C20	C19	H19	0.7°	0.3°
HA	CA	CB	HB2	65.4°	175.0°
HA	CA	CB	HB3	173.8°	65.1°
HA	CA	N	H	63.6°	180.0°
HA	CA	N	H2	176.4°	56.0°
H6	C8	C9	H8	47.5°	60.0°
H6	C8	C9	H9	71.7°	180.0°
H7	C8	C9	H8	72.6°	180.0°
H7	C8	C9	H9	168.2°	60.0°
H8	C9	N10	H10	108.0°	120.0°
H9	C9	N10	H10	132.8°	120.0°
H18	C18	C19	H19	0.8°	0.3°

Release date:	2019-04-17
Definition date:	2018-08-01
Last modified:	2019-04-12
Release status:	REL
Processing site:	PDBJ
Derived from:	6AAP