Target and partner atoms for electrostatic calculations.

 

Residue

Target

Atom

Partner

Atom

 

Residue

Target

Atom

Partner

Atom

 

Residue

Target

Atom

Partner

Atom

All but

PRO

H

N

 

ILE

HD1

CD1

 

LEU

HG

CG

All

HA

CA

 

PHE

HD1

CD1

 

SER

HG

OG

All

CA

N

 

TRP

HD1

CD1

 

THR

HG1

OG1

GLY

HA2

CA

 

TYR

HD1

CD1

 

VAL

HG11

CG1

GLY

HA3

CA

 

LEU

HD11

CD1

 

ILE

HG12

CG1

ILE

HB

CB

 

LEU

HD12

CD1

 

VAL

HG12

CG1

THR

HB

CB

 

LEU

HD13

CD1

 

ILE

HG13

CG1

VAL

HB

CB

 

ARG

HD2

CD

 

VAL

HG13

CG1

ALA

HB1

CB

 

ASP

HD2

OD2

 

ARG

HG2

CG

ALA

HB2

CB

 

HIS

HD2

CD2

 

GLU

HG2

CG

ARG

HB2

CB

 

ILE

HD2

CD1

 

GLN

HG2

CG

ASP

HB2

CB

 

LYS

HD2

CD

 

LYS

HG2

CG

ASN

HB2

CB

 

PHE

HD2

CD2

 

MET

HG2

CG

CYS

HB2

CB

 

PRO

HD2

CD

 

PRO

HG2

CG

GLU

HB2

CB

 

TYR

HD2

CD2

 

ILE

HG21

CG2

GLN

HB2

CB

 

ASN

HD21

ND2

 

THR

HG21

CG2

HIS

HB2

CB

 

LEU

HD21

CD2

 

VAL

HG21

CG2

LEU

HB2

CB

 

ASN

HD22

ND2

 

ILE

HG22

CG2

LYS

HB2

CB

 

LEU

HD22

CD2

 

THR

HG22

CG2

MET

HB2

CB

 

LEU

HD23

CD2

 

VAL

HG22

CG2

PHE

HB2

CB

 

ARG

HD3

CD

 

ILE

HG23

CG2

PRO

HB2

CB

 

ILE

HD3

CD1

 

THR

HG23

CG2

SER

HB2

CB

 

LYS

HD3

CD

 

VAL

HG23

CG2

TRP

HB2

CB

 

PRO

HD3

CD

 

ARG

HG3

CG

TYR

HB2

CB

 

ARG

HE

NE

 

GLU

HG3

CG

ALA

HB3

CB

 

HIS

HE1

CE1

 

GLN

HG3

CG

ARG

HB3

CB

 

MET

HE1

CE

 

LYS

HG3

CG

ASP

HB3

CB

 

PHE

HE1

CE1

 

MET

HG3

CG

ASN

HB3

CB

 

TRP

HE1

NE1

 

PRO

HG3

CG

CYS

HB3

CB

 

TYR

HE1

CE1

 

TYR

HH

OH

GLU

HB3

CB

 

GLU

HE2

OE2

 

ARG

HH11

NH1

GLN

HB3

CB

 

HIS

HE2

NE2

 

ARG

HH12

NH1

HIS

HB3

CB

 

LYS

HE2

CE

 

TRP

HH2

C22

LEU

HB3

CB

 

MET

HE2

CE

 

ARG

HH21

NH2

LYS

HB3

CB

 

PHE

HE2

CE2

 

ARG

HH22

NH2

MET

HB3

CB

 

TYR

HE2

CE2

 

PHE

HZ

CZ

PHE

HB3

CB

 

GLN

HE21

NE2

 

LYS

HZ1

NZ

PRO

HB3

CB

 

GLN

HE22

NE2

 

LYS

HZ2

NZ

SER

HB3

CB

 

LYS

HE3

CE

 

TRP

HZ2

CZ2

TRP

HB3

CB

 

MET

HE3

CE

 

LYS

HZ3

NZ

TYR

HB3

CB

 

TRP

HE3

CE3

 

TRP

HZ3

CZ3

HIS

HD1

ND1

 

CYS

HG

SG