BTK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.21Å	1.24Å
C	CA	sing	1.51Å	1.50Å
C	OXT	sing	1.34Å	1.43Å
N	CA	sing	1.47Å	1.44Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	CB	sing	1.53Å	1.51Å
CA	HA	sing	1.09Å	1.10Å
CB	CG	sing	1.53Å	1.53Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
CD	CE	sing	1.53Å	1.50Å
CD	CG	sing	1.53Å	1.50Å
CD	HD2	sing	1.09Å	1.10Å
CD	HD3	sing	1.09Å	1.10Å
CE	NZ	sing	1.47Å	1.44Å
CE	HE2	sing	1.09Å	1.10Å
CE	HE3	sing	1.09Å	1.10Å
CG	HG2	sing	1.09Å	1.10Å
CG	HG3	sing	1.09Å	1.10Å
NZ	CAN	sing	1.35Å	1.28Å
NZ	HNZ	sing	0.97Å	1.00Å
CAA	CAF	sing	1.53Å	1.48Å
CAA	HAA	sing	1.09Å	1.10Å
CAA	HAAA	sing	1.09Å	1.10Å
CAA	HAAB	sing	1.09Å	1.10Å
OAD	CAN	doub	1.21Å	1.13Å
CAF	CAJ	sing	1.53Å	1.50Å
CAF	HAF	sing	1.09Å	1.10Å
CAF	HAFA	sing	1.09Å	1.10Å
CAJ	CAN	sing	1.51Å	1.51Å
CAJ	HAJ	sing	1.09Å	1.10Å
CAJ	HAJA	sing	1.09Å	1.10Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	121.2°	120.0°
O	C	OXT	119.4°	120.0°
CA	C	OXT	119.4°	120.0°
C	CA	N	111.4°	109.5°
C	CA	CB	111.9°	109.4°
C	CA	HA	105.0°	109.4°
C	OXT	HXT	109.5°	117.0°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.1°
N	CA	CB	104.2°	109.4°
N	CA	HA	112.6°	109.5°
H	N	H2	109.4°	110.9°
CB	CA	HA	112.1°	109.5°
CA	CB	CG	113.6°	109.5°
CA	CB	HB2	108.1°	109.5°
CA	CB	HB3	108.1°	109.5°
CG	CB	HB2	108.1°	109.5°
CG	CB	HB3	108.1°	109.5°
CB	CG	CD	110.4°	109.5°
CB	CG	HG2	109.2°	109.4°
CB	CG	HG3	109.2°	109.5°
HB2	CB	HB3	110.8°	109.4°
CE	CD	CG	113.2°	109.5°
CE	CD	HD2	108.3°	109.5°
CE	CD	HD3	108.2°	109.4°
CD	CE	NZ	111.8°	109.5°
CD	CE	HE2	108.7°	109.4°
CD	CE	HE3	108.7°	109.5°
CG	CD	HD2	108.2°	109.5°
CG	CD	HD3	108.3°	109.4°
CD	CG	HG2	109.2°	109.4°
CD	CG	HG3	109.2°	109.5°
HD2	CD	HD3	110.7°	109.4°
NZ	CE	HE2	108.7°	109.5°
NZ	CE	HE3	108.7°	109.5°
CE	NZ	CAN	119.5°	120.0°
CE	NZ	HNZ	120.3°	120.0°
HE2	CE	HE3	110.2°	109.5°
HG2	CG	HG3	109.8°	109.5°
CAN	NZ	HNZ	120.3°	120.1°
NZ	CAN	OAD	112.7°	120.0°
NZ	CAN	CAJ	127.2°	120.0°
CAF	CAA	HAA	109.5°	109.4°
CAF	CAA	HAAA	109.5°	109.5°
CAF	CAA	HAAB	109.5°	109.5°
CAA	CAF	CAJ	107.8°	109.5°
CAA	CAF	HAF	110.1°	109.5°
CAA	CAF	HAFA	110.0°	109.5°
HAA	CAA	HAAA	109.5°	109.5°
HAA	CAA	HAAB	109.4°	109.4°
HAAA	CAA	HAAB	109.5°	109.5°
OAD	CAN	CAJ	120.2°	120.0°
CAJ	CAF	HAF	110.0°	109.5°
CAJ	CAF	HAFA	110.0°	109.4°
CAF	CAJ	CAN	114.1°	109.5°
CAF	CAJ	HAJ	107.9°	109.5°
CAF	CAJ	HAJA	108.0°	109.4°
HAF	CAF	HAFA	108.9°	109.5°
CAN	CAJ	HAJ	108.0°	109.5°
CAN	CAJ	HAJA	108.0°	109.5°
HAJ	CAJ	HAJA	110.9°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	OXT	179.9°	179.8°
O	C	CA	N	97.2°	19.9°
O	C	CA	CB	146.7°	100.0°
O	C	CA	HA	24.9°	140.0°
O	C	OXT	HXT	0.0°	0.1°
C	CA	N	CB	120.8°	120.0°
C	CA	N	HA	117.6°	120.0°
C	CA	N	H	180.0°	64.0°
C	CA	N	H2	60.0°	59.9°
C	CA	CB	HA	117.6°	119.9°
C	CA	CB	CG	140.4°	175.0°
C	CA	CB	HB2	99.6°	65.0°
C	CA	CB	HB3	20.4°	55.0°
CA	C	OXT	HXT	179.9°	179.7°
OXT	C	CA	N	82.7°	160.3°
OXT	C	CA	CB	33.4°	79.7°
OXT	C	CA	HA	155.1°	40.2°
CA	N	H	H2	120.0°	124.0°
N	CA	CB	HA	122.0°	120.1°
N	CA	CB	CG	99.1°	65.0°
N	CA	CB	HB2	20.9°	55.0°
N	CA	CB	HB3	140.9°	175.0°
H	N	CA	CB	59.2°	176.0°
H	N	CA	HA	62.4°	56.0°
H2	N	CA	CB	179.2°	60.0°
H2	N	CA	HA	57.6°	180.0°
CA	CB	CG	HB2	120.0°	120.0°
CA	CB	CG	HB3	120.0°	120.0°
CA	CB	HB2	HB3	118.3°	120.0°
CA	CB	CG	CD	165.8°	180.0°
CA	CB	CG	HG2	45.9°	60.1°
CA	CB	CG	HG3	74.2°	60.0°
HA	CA	CB	CG	22.8°	55.1°
HA	CA	CB	HB2	142.8°	175.0°
HA	CA	CB	HB3	97.2°	65.0°
CG	CB	HB2	HB3	118.3°	120.0°
CB	CG	CD	CE	120.8°	180.0°
CB	CG	CD	HG2	120.0°	119.9°
CB	CG	CD	HG3	120.0°	120.1°
CB	CG	CD	HD2	119.2°	59.9°
CB	CG	CD	HD3	0.8°	60.0°
CB	CG	HG2	HG3	119.7°	120.1°
HB2	CB	CG	CD	74.2°	60.0°
HB2	CB	CG	HG2	165.8°	180.0°
HB2	CB	CG	HG3	45.8°	60.0°
HB3	CB	CG	CD	45.9°	59.9°
HB3	CB	CG	HG2	74.1°	60.0°
HB3	CB	CG	HG3	165.9°	180.0°
CE	CD	CG	HD2	120.0°	120.1°
CE	CD	CG	HD3	120.0°	120.0°
CE	CD	HD2	HD3	118.5°	120.0°
CD	CE	NZ	HE2	120.0°	119.9°
CD	CE	NZ	HE3	120.0°	120.0°
CD	CE	HE2	HE3	119.0°	120.0°
CE	CD	CG	HG2	119.2°	60.1°
CE	CD	CG	HG3	0.8°	59.9°
CD	CE	NZ	CAN	75.1°	180.0°
CD	CE	NZ	HNZ	104.9°	0.0°
CG	CD	HD2	HD3	118.5°	120.0°
CG	CD	CE	NZ	111.3°	180.0°
CG	CD	CE	HE2	8.7°	60.1°
CG	CD	CE	HE3	128.7°	59.9°
CD	CG	HG2	HG3	119.6°	120.0°
HD2	CD	CE	NZ	8.6°	60.0°
HD2	CD	CE	HE2	128.7°	60.0°
HD2	CD	CE	HE3	111.3°	180.0°
HD2	CD	CG	HG2	0.8°	60.0°
HD2	CD	CG	HG3	120.8°	180.0°
HD3	CD	CE	NZ	128.7°	60.0°
HD3	CD	CE	HE2	111.3°	180.0°
HD3	CD	CE	HE3	8.7°	60.0°
HD3	CD	CG	HG2	120.8°	180.0°
HD3	CD	CG	HG3	119.2°	60.0°
NZ	CE	HE2	HE3	119.0°	120.0°
CE	NZ	CAN	HNZ	180.0°	180.0°
CE	NZ	CAN	OAD	1.0°	0.0°
CE	NZ	CAN	CAJ	178.6°	180.0°
HE2	CE	NZ	CAN	164.8°	60.0°
HE2	CE	NZ	HNZ	15.1°	120.0°
HE3	CE	NZ	CAN	44.8°	60.0°
HE3	CE	NZ	HNZ	135.1°	120.0°
NZ	CAN	OAD	CAJ	179.6°	180.0°
NZ	CAN	CAJ	CAF	5.1°	180.0°
NZ	CAN	CAJ	HAJ	114.9°	60.0°
NZ	CAN	CAJ	HAJA	125.1°	60.0°
HNZ	NZ	CAN	OAD	179.1°	180.0°
HNZ	NZ	CAN	CAJ	1.4°	0.0°
CAF	CAA	HAA	HAAA	120.0°	120.0°
CAF	CAA	HAA	HAAB	120.0°	120.0°
CAF	CAA	HAAA	HAAB	120.0°	120.0°
CAA	CAF	CAJ	HAF	120.0°	120.0°
CAA	CAF	CAJ	HAFA	120.0°	120.0°
CAA	CAF	HAF	HAFA	120.7°	120.0°
CAA	CAF	CAJ	CAN	0.2°	180.0°
CAA	CAF	CAJ	HAJ	120.3°	60.0°
CAA	CAF	CAJ	HAJA	119.8°	60.0°
HAA	CAA	HAAA	HAAB	120.0°	120.0°
HAA	CAA	CAF	CAJ	180.0°	180.0°
HAA	CAA	CAF	HAF	60.0°	60.0°
HAA	CAA	CAF	HAFA	60.0°	60.0°
HAAA	CAA	CAF	CAJ	60.0°	60.0°
HAAA	CAA	CAF	HAF	60.0°	60.0°
HAAA	CAA	CAF	HAFA	180.0°	179.9°
HAAB	CAA	CAF	CAJ	60.0°	60.0°
HAAB	CAA	CAF	HAF	180.0°	180.0°
HAAB	CAA	CAF	HAFA	60.0°	59.9°
OAD	CAN	CAJ	CAF	174.4°	0.0°
OAD	CAN	CAJ	HAJ	65.6°	120.0°
OAD	CAN	CAJ	HAJA	54.4°	120.0°
CAJ	CAF	HAF	HAFA	120.6°	120.0°
CAF	CAJ	CAN	HAJ	120.0°	120.0°
CAF	CAJ	CAN	HAJA	120.0°	120.0°
CAF	CAJ	HAJ	HAJA	118.1°	120.0°
HAF	CAF	CAJ	CAN	119.8°	60.0°
HAF	CAF	CAJ	HAJ	0.2°	180.0°
HAF	CAF	CAJ	HAJA	120.2°	60.0°
HAFA	CAF	CAJ	CAN	120.2°	60.1°
HAFA	CAF	CAJ	HAJ	119.8°	60.0°
HAFA	CAF	CAJ	HAJA	0.2°	180.0°
CAN	CAJ	HAJ	HAJA	118.1°	120.0°

Definition date:	2010-05-18
Last modified:	2023-11-03
Release status:	REL
Processing site:	PDBJ
Derived from:	3MUL