8KT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N46	N47	doub	1.24Å	1.31Å
N46	C41	sing	1.47Å	1.49Å
N47	C41	sing	1.46Å	1.49Å
F43	C42	sing	1.40Å	1.37Å
C41	C42	sing	1.53Å	1.53Å
C41	C38	sing	1.51Å	1.51Å
C42	F45	sing	1.40Å	1.35Å
C42	F44	sing	1.40Å	1.35Å
C39	C38	doub	1.38Å	1.38Å	Aromatic
C39	C40	sing	1.38Å	1.39Å	Aromatic
C38	C37	sing	1.38Å	1.39Å	Aromatic
C40	C35	doub	1.40Å	1.38Å	Aromatic
C37	C36	doub	1.38Å	1.38Å	Aromatic
C35	C36	sing	1.40Å	1.37Å	Aromatic
C35	C33	sing	1.48Å	1.52Å
C33	O34	doub	1.21Å	1.19Å
C36	H30	sing	1.08Å	1.08Å
C37	H31	sing	1.08Å	1.08Å
C39	H32	sing	1.08Å	1.08Å
C40	H33	sing	1.08Å	1.08Å
C33	OXT	sing	1.35Å	1.44Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N47	N46	C41	64.3°	64.9°
N46	N47	C41	63.7°	64.9°
N46	C41	N47	52.0°	50.1°
N46	C41	C42	110.0°	118.5°
N46	C41	C38	127.8°	118.6°
N47	C41	C42	112.2°	118.6°
N47	C41	C38	124.9°	118.6°
F43	C42	C41	108.0°	109.5°
F43	C42	F45	109.2°	109.4°
F43	C42	F44	109.8°	109.5°
C42	C41	C38	115.2°	116.2°
C41	C42	F45	110.0°	109.4°
C41	C42	F44	112.3°	109.5°
C41	C38	C39	114.6°	119.9°
C41	C38	C37	124.2°	119.8°
F45	C42	F44	107.5°	109.5°
C38	C39	C40	119.1°	120.2°
C39	C38	C37	121.2°	120.3°
C38	C39	H32	120.5°	119.9°
C39	C40	C35	119.7°	119.9°
C40	C39	H32	120.5°	119.9°
C39	C40	H33	120.2°	120.0°
C38	C37	C36	119.2°	120.1°
C38	C37	H31	120.4°	119.9°
C40	C35	C36	120.9°	119.7°
C40	C35	C33	119.6°	120.2°
C35	C40	H33	120.1°	120.1°
C37	C36	C35	119.9°	119.9°
C37	C36	H30	120.1°	120.1°
C36	C37	H31	120.5°	120.0°
C36	C35	C33	119.5°	120.1°
C35	C36	H30	120.0°	120.0°
C35	C33	O34	120.7°	120.0°
C35	C33	OXT	116.8°	119.9°
O34	C33	OXT	122.4°	120.1°
C33	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N47	N46	C41	C42	103.0°	104.8°
N47	N46	C41	C38	108.3°	104.8°
N46	C41	C42	F43	26.1°	28.9°
N46	C41	C42	C38	153.0°	151.1°
N46	C41	C42	F45	93.0°	148.8°
N46	C41	C42	F44	147.3°	91.1°
N46	C41	C38	C39	31.4°	118.9°
N46	C41	C38	C37	150.0°	61.1°
N47	C41	C42	F43	30.0°	28.8°
N47	C41	C42	C38	151.0°	151.2°
N47	C41	C42	F45	149.0°	91.1°
N47	C41	C42	F44	91.3°	148.8°
N47	C41	C38	C39	34.5°	61.1°
N47	C41	C38	C37	144.1°	118.8°
F43	C42	C41	F45	119.1°	119.9°
F43	C42	C41	F44	121.3°	120.0°
F43	C42	C41	C38	179.0°	180.0°
F43	C42	F45	F44	119.1°	120.0°
C41	C42	F45	F44	122.5°	120.0°
C42	C41	C38	C39	178.7°	90.1°
C42	C41	C38	C37	2.7°	90.0°
C38	C41	C42	F45	59.9°	60.0°
C38	C41	C42	F44	59.7°	60.0°
C41	C38	C39	C37	178.7°	180.0°
C41	C38	C39	C40	178.7°	179.8°
C41	C38	C37	C36	179.9°	180.0°
C41	C38	C37	H31	0.1°	0.0°
C41	C38	C39	H32	1.3°	0.0°
C38	C39	C40	H32	180.0°	179.8°
C38	C39	C40	C35	0.6°	0.5°
C39	C38	C37	C36	1.3°	0.0°
C39	C38	C37	H31	178.7°	180.0°
C38	C39	C40	H33	179.4°	179.9°
C40	C39	C38	C37	0.0°	0.3°
C39	C40	C35	H33	180.0°	179.5°
C39	C40	C35	C36	0.0°	0.5°
C39	C40	C35	C33	179.7°	179.8°
C38	C37	C36	H31	180.0°	180.0°
C38	C37	C36	C35	1.9°	0.0°
C38	C37	C36	H30	178.0°	180.0°
C37	C38	C39	H32	180.0°	180.0°
C40	C35	C36	C37	1.3°	0.2°
C40	C35	C36	C33	179.7°	179.7°
C40	C35	C33	O34	147.6°	179.7°
C40	C35	C36	H30	178.7°	179.7°
C35	C40	C39	H32	179.3°	179.7°
C40	C35	C33	OXT	30.0°	0.0°
C37	C36	C35	H30	180.0°	180.0°
C37	C36	C35	C33	178.4°	180.0°
C36	C35	C33	O34	32.0°	0.0°
C35	C36	C37	H31	178.0°	180.0°
C36	C35	C40	H33	180.0°	179.9°
C36	C35	C33	OXT	150.3°	179.7°
C35	C33	O34	OXT	177.5°	179.7°
C33	C35	C36	H30	1.6°	0.0°
C33	C35	C40	H33	0.3°	0.2°
C35	C33	OXT	HXT	177.6°	179.8°
O34	C33	OXT	HXT	0.0°	0.1°
H30	C36	C37	H31	2.0°	0.0°
H32	C39	C40	H33	0.6°	0.2°

Release date:	2023-09-06
Definition date:	2022-03-09
Last modified:	2023-09-01
Release status:	REL
Processing site:	PDBJ
Derived from:	7X3P