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Table 4 Hot spot predictions§ from interface hub analysis on protein complexes at Imin = 4%

From: Oligomeric protein structure networks: insights into protein-protein interactions

PDB

Monomer 1

Predicted mutations in monomer 1

Monomer 2

Predicted mutations in monomer 2

1A4Y

Angiogenin 1

35L, 40K, 95R, 117Q

RNase I 1

35D, 63R, 346Q, 349N

1CBW2

BPTI

17R, 37G

Chymotrypsin

57H

2PTC

BPTI

**4

Trypsin

57H, 99L, 190S

1BRS

Barnase

56F, 103Y

Barstar

33N

1GC1

CD4

**

GP120

280N, 368D, 370E, 469R

1DVF

D1.3

35Nh5, 45Lh, 50Mh, 103Lh, 106Wh, 36Yl5, 89Ql, 91Fl, 96Rl

E5.2

47Wh, 99Yh, 103Wh, 36Yl, 92Nl

1VFB

D1.3

35Nh, 45Lh, 40Mh, 103Lh, 106Wh, 36Yl, 44Pl, 89Ql, 91Fl, 96Rl

HEL

27N

1DAN3

Factor VII

128Fh, 164Mh, 208Yh, 230Rh, 95Nl, 101Yl, 118Yl

Tissue Factor

19F, 74R, 96N, 100F, 147F

3HFM

HEL

**

HYHEL-10

33Yh, 39Kh, 50Yh, 98Wh, 103Wh, 166Fh, 32Nl, 50Yl, 94Wl, 96Yl, 121Sl, 123El, 135Fl

3HHR3

HGH

8R, 9L, 12N, 16R, 41K

hGHBP

150H, 152D, 197V, 200Y, 217R, 218N

1BXI

IM9

**

E9DNase

72N, 75N, 84S, 86F, 97K

1FC2

Protein A

**

IgG1

30M, 31I

1DFJ

RNaseI

**

RNase A

41K, 111E

1JCK

SEC3

**

TcrVb

43L, 101Y, 108F

1AHW

Tissue Factor

152I, 169K, 171N, 190Q, 192V, 201K

Fab 5G9

32Yl, 36Yl, 50Yl, 91Hl, 135Fl, 137Nl, 33Yh, 35Hh, 45Lh, 50Lh, 52Dh, 59Ih, 102Yh, 103Yh, 104Fh, 147Kh, 170Fh

  1. § Already mutated hubs have been excluded from this table.
  2. 1 The underlined monomers are the ones where some mutations have already been carried out.
  3. 2 No hubs are obtained at Imin = 4% in 1CBW. Hence, hubs at Imin = 2% are used for prediction.
  4. 3 1DAN and 3HHR are proteins where a large number of mutations (>100) have been carried out, which have ΔΔG < 1 kcal/mol. These mutations have not been included in this analysis.
  5. 4 ** All hubs identified at Imin = 4% have already been mutated.
  6. 5 h or l accompanying a residue name corresponds to the heavy and the light chains of the corresponding antibodies.