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Table 3 Detailed Results of DoBi and Fernández-Recio et al. ’s method

From: Protein-protein binding site identification by enumerating the configurations

  Receptor   Ligand
Complex    DoBi Fernández-Recioe    DoBi Fernández-Recioe
  PDBa Int n b Acc c Cov d Acc Cov PDB Int n Acc Cov Acc Cov
1ca0(B:D) 5cha 24 46.2 50.0 50.6 81.0 1aap 14 26.1 42.9 35.6 57.0
1cbw(B:D) 5cha 26 58.6 65.4 65.7 92.0 1bpi 14 77.8 100 33.7 64.0
1acb(E:I) 5cha 24 14.5 66.7 55.0 77.0 1egl 13 20.4 84.6 21.6 41.0
1cho(F:I) 5cha 25 36.9 96.0 63.6 89.0 1omu 13 35.3 92.3 48.1 77.0
1cgi(E:I) 1chg 24 26.3 45.5 70.8 92.0 1hpt 19 48.5 84.2 58.3 70.0
2kai(A:I) 2pka 33 53.8 58.3 41.5 54.0 1bpi 19 68.8 84.6 35.9 79.0
2sni(E:I) 2st1 28 61.1 78.6 35.8 93.0 2ci2 15 70.6 80.0 37.9 53.0
2sic(E:I) 2st1 30 73.5 83.3 29.6 83.0 3ssi 12 62.5 83.3 18.4 46.0
1cse(E:I) 1sbc 30 42.6 96.7 33.1 96.0 1egl 12 26.3 83.3 22.8 41.0
2tec(E:I) 1thm 28 38.0 67.9 34.2 82.0 1egl 13 31.0 69.2 30.0 45.0
1taw(A:B) 5ptp 26 42.1 30.8 51.9 83.0 1aap 13 47.1 61.5 34.4 62.0
2ptc(E:I) 5ptp 24 33.3 50.0 52.4 89.0 1bpi 14 56.5 92.9 18.0 36.0
3tgi(E:I) 1ane 25 51.9 56.0 16.1 29.0 1bpi 14 58.8 71.4 30.5 64.0
1brc(E:I) 1bra 24 30.0 25.0 44.4 80.0 1aap 11 62.5 90.9 36.5 62.0
1fss(A:B) 2ace 25 32.7 64.0 23.8 100 1fsc 19 65.4 89.5 69.2 83.0
1bvn(P:T) 1pif 31 29.2 22.6 45.0 90.0 2ait 20 42.1 80.0 61.4 86.0
1bgs(B:F) 1a2p 18 23.1 66.7 73.1 95.0 1a19 16 34.1 93.8 72.3 94.0
1ay7(A:B) 1rge 15 81.3 86.7 71.4 100 1a19 15 84.6 73.3 52.2 94.0
1ugh(E:I) 1akz 24 63.6 87.5 44.1 97.0 2ugi 25 57.1 64.0 83.3 75.0
2pcb(A:B) 1ccp 10 23.5 40.0 24.2 92.0 1hrc 9 22.2 44.4 29.2 73.0
2pcf(B:A) 1ctm 21 57.7 71.4 57.5 92.0 1ag6 24 56.7 70.8 66.4 73.0
1mlc(B:E) 1mlb 14 65.0 92.9 31.3 100 1lza 10 43.5 100 9.1 29.0
1vfb(A:C) 1vfa 8 44.4 100 52.6 100 1lza 8 43.8 87.5 26.8 83.0
1ewy(A:C) 1que 15 20.8 26.3 52.6 100 1fxa 15 37.5 52.9 56.7 68.0
1eer(B:A) 1ern 23 13.8 65.2 35.0 91.0 1buy 22 21.9 95.5 53.6 75.0
1kkl(A:H) 1jb1 13 31.3 76.9 3.5 11.0 1sph 12 32.4 100 67.5 81.0
1ken(A:C) 2viu 56 92.6 44.6 30.3 97.0 1ken 64 71.7 51.6 29.4 100
1kxv(A:C) 1pif 19 15.0 63.2 3.7 10.0 1kxv 21 27.0 81.0 43.7 83.0
1kxt(A:B) 1pif 17 17.9 41.2 14.1 55.0 1kxt 20 30.8 40.0 53.3 96.0
1kxq(A:H) 1pif 30 42.5 56.7 52.6 100 1kxq 25 54.5 72.0 56.5 96.0
1l0x(A:B) 1bec 19 42.9 40.0 0 0 1b1z 17 27.8 41.7 16.1 100
1avw(A:B) 2ptn 31 31.3 48.4 58.8 100 1ba7 15 44.1 100 36.2 94.0
1dfj(I:E) 2bnh 33 52.9 54.5 49.4 89.0 7rsa 29 47.1 55.2 66.7 80.0
1tgs(Z:I) 2ptn 30 30.4 70.0 62.0 93.0 1hpt 18 43.8 77.8 68.3 82.0
1ahw(A:B) 1fgn 43 23.0 39.5 15.6 89.0 1boy 45 28.3 62.2 0 0
1dqj(A:C) 1dqq 11 50.0 81.8 20.0 100 3lzt 11 50.0 81.8 14.4 39.0
1wej(H:F) 1qbl 7 38.9 100 24.4 100 1hrc 8 40.0 100 18.3 44.0
1avz(B:C) 1avv 16 58.8 62.5 16.2 42.0 1shf 13 42.3 84.6 54.1 92.0
1wq1(G:R) 1wer 33 70.6 72.7 11.4 33.0 5p21 26 77.8 80.8 40.8 53.0
2mta(L:A) 2bbk 13 57.9 84.6 30.0 93.0 1aan 11 64.7 100 58.8 100
1bth(H:P) 2hnt 30 15.2 16.7 27.7 61.0 6pti 17 94.1 94.1 32.5 39.0
1fin(A:B) 1hcl 46 35.5 47.8 28.3 68.0 1vin 35 32.8 60.0 66.7 100
1fq1(B:A) 1b39 16 63.2 75.0 8.2 32.0 1fpz 16 63.2 75.0 0 0
  1. aPDB is the unbound structure of the receptor or ligand in the complex.
  2. bInt n is the number of residues on the actual interface in the complex.
  3. cAcc (%) is the accuracy of the corresponding method on the data set.
  4. dCov (%) is the coverage of the corresponding method on the data set.
  5. eThe values for this method are from literature [22].