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Table 1 Amino acid specific weighting factors. Average optimised parameter for all amino acids obtained from the 5 cross validation runs for three different classes of protein complexes.

From: Optimised amino acid specific weighting factors for unbound protein docking

Amino Acid

Antibody/Antigen

Enzyme/Inhibitor

Others

ALA

2.32

0.68

0.74

ARG

0.00*

1.70

1.09

ASN

5.23

0.49

0.92

ASP

0.00*

0.00*

0.00*

CYS

0.14

1.11

0.18

GLN

0.00*

0.00*

1.06

GLU

0.15

0.00*

0.00*

GLY

2.49

1.47

7.24

HIS

8.74

3.17

0.00*

ILE

6.83

2.30

4.34

LEU

0.02

3.24

4.83

LYS

0.67

0.59

1.29

MET

1.46

9.63

3.90

PHE

4.46

3.14

7.89

PRO

1.98

0.00*

1.13

SER

0.00*

0.00*

0.00*

THR

0.25

2.67

3.08

TRP

4.99

5.19

2.56

TYR

11.64

4.94

8.83

VAL

3.10

2.78

3.02

I1

-3.45

8.34

0.15

  1. * None of these values is exactly 0.0. The optimised weighting factors for these amino acids are between 0.0001 and 0.0008