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Table 1 Initial dataset of complexes used in this work

From: Identification of hot-spot residues in protein-protein interactions by computational docking

Complexa

Resb

Receptor

Ligand

Unbound receptor

Resb

Unbound ligand

Resb

Complex typec

1A22

2.60

Growth hormone receptor

Growth hormone

-

-

1HGU

2.50

B/U

1A4Y

2.00

Ribonuclease inhibitor

Angiogenin

-

-

1UN3

1.70

B/U

1AHW

3.00

Fab 5G9

Tissue Factor

1K6Q

2.40

2HFT

1.69

U/U

1AIE

1.50

p53

p53

-

-

-

-

B/B

1BRS

2.00

Barnase

Barstar

1A2P

1.50

-

-

U/B

1BXI

2.05

Colicin E9

Immunity protein Im9

1FSJ

1.80

-

-

U/B

1DAN

2.00

Tissue Factor

Factor VII

2HFT

1.69

-

-

U/B

1DFJ

2.30

Ribonuclease A

Ribonuclease inhibitor

1FS3

1.40

2BNH

2.30

U/U

1DN2

2.70

IgG1 Fc fragment

DCAWHLGELV WCT-NH2

1H3V

3.10

-

-

U/B

3HFM

3.00

HYHEL-10

HEL

1GPO

1.95

3LZT

0.92

U/U

1GC1

2.50

CD4

gp120

1CDJ

2.50

-

-

U/B

1F47

1.95

Zipa

FTSZ fragment

1F7W

NMR

-

-

U/B

1FC2

2.80

Fc fragment

Protein A

-

-

-

-

B/B

1FCC

3.50

Fc fragment

Protein G

1H3V

3.10

-

-

U/B

1IAR

2.60

IL-4 receptor

IL-4

-

-

1HIK

2.60

B/U

1JCK

3.50

T-cell antigen receptor

SEC3

1BEC

1.70

1CK1

2.60

U/U

1JRH

2.80

Antibody A6

Interferon-γ receptor

-

-

-

-

B/B

1JTD

2.30

TEM-1 β-lactamase

BLIP

1ZG4

1.55

-

-

U/B

1NMB

2.50

NC10

Neuraminidase N9

-

-

7NN9

2.00

B/U

2PTC

1.90

Trypsin

BPTI

1S0Q

1.02

1G6X

0.86

U/U

1VFB

1.80

Antibody D1.3

HEL

-

-

3LZT

0.92

B/U

  1. aPDB Code, bResolution in Å; cB, Bound; U, Unbound