Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: D15_A_4(2WO6) / Model_14(2WO6/A) = [6.9] Download1140.2511.47MRPNGEERPTVALSQNIMSVYEAINTLFYQERQLLLTAPAKYAARKYEDAAGHYLPYPGEEIAERYVVREVIGKGSFGTVLHCVDQKYHEAVAVKVIRSGPYFESQGWFEAQVVAHLNNDPALQNLVVQLRKVFLWKGHMVLVFEPLSFSLYRLITLTKYNGVSLDLTRKFAYQMIKVLLVLEQHQPPIIHCDLKPENVLLRDPSRSEVRVIDFGSACYQQQQKWSPPPAQVVLPSTSPSSSPGPPWDSVAEGPSGGVKPTAAADDDDSSAPQSPPKGPQQRHQATAGSTTASVDAALASGVAAPTAEGADTVEKASDAAPAAAAAAGTATGDNRRGDIIMPKYIQSRYYRSPEVILELGYTTAIDRWSLGCFLVEMHTGVPLFPGKNEGDMVAYFTSILGPLPDYMIAASPKRTQLYYTCHSEPSTKSGGGELAHGVATAGAGPAEDAPPGLTPMSSAPGHAMGSPFFLRAPRVEGEGAAAAAVPGSGSNSPPLSLEEILGVHKGGPRGCRAGQPGHDESAYEVFCDFIHKLLQYDPRKRVSCQQAIQHPFLEPIRALKSRSAAPPSAAPGTGGGNTEAGSAPPPPLPGPPQ
Complex: 7A7_A_3(5LXD) / Model_11(5LXD/A) = [6.2] Download984.4412.75MRPNGEERPTVALSQNIMSVYEAINTLFYQERQLLLTAPAKYAARKYEDAAGHYLPYPGEEIAERYVVREVIGKGSFGTVLHCVDQKYHEAVAVKVIRSGPYFESQGWFEAQVVAHLNNDPALQNLVVQLRKVFLWKGHMVLVFEPLSFSLYRLITLTKYNGVSLDLTRKFAYQMIKVLLVLEQHQPPIIHCDLKPENVLLRDPSRSEVRVIDFGSACYQQQQKWSPPPAQVVLPSTSPSSSPGPPWDSVAEGPSGGVKPTAAADDDDSSAPQSPPKGPQQRHQATAGSTTASVDAALASGVAAPTAEGADTVEKASDAAPAAAAAAGTATGDNRRGDIIMPKYIQSRYYRSPEVILELGYTTAIDRWSLGCFLVEMHTGVPLFPGKNEGDMVAYFTSILGPLPDYMIAASPKRTQLYYTCHSEPSTKSGGGELAHGVATAGAGPAEDAPPGLTPMSSAPGHAMGSPFFLRAPRVEGEGAAAAAVPGSGSNSPPLSLEEILGVHKGGPRGCRAGQPGHDESAYEVFCDFIHKLLQYDPRKRVSCQQAIQHPFLEPIRALKSRSAAPPSAAPGTGGGNTEAGSAPPPPLPGPPQ
Complex: 3RA_A_2(4AZF) / Model_23(4AZF/A) = [6.0] Download939.8817.38MRPNGEERPTVALSQNIMSVYEAINTLFYQERQLLLTAPAKYAARKYEDAAGHYLPYPGEEIAERYVVREVIGKGSFGTVLHCVDQKYHEAVAVKVIRSGPYFESQGWFEAQVVAHLNNDPALQNLVVQLRKVFLWKGHMVLVFEPLSFSLYRLITLTKYNGVSLDLTRKFAYQMIKVLLVLEQHQPPIIHCDLKPENVLLRDPSRSEVRVIDFGSACYQQQQKWSPPPAQVVLPSTSPSSSPGPPWDSVAEGPSGGVKPTAAADDDDSSAPQSPPKGPQQRHQATAGSTTASVDAALASGVAAPTAEGADTVEKASDAAPAAAAAAGTATGDNRRGDIIMPKYIQSRYYRSPEVILELGYTTAIDRWSLGCFLVEMHTGVPLFPGKNEGDMVAYFTSILGPLPDYMIAASPKRTQLYYTCHSEPSTKSGGGELAHGVATAGAGPAEDAPPGLTPMSSAPGHAMGSPFFLRAPRVEGEGAAAAAVPGSGSNSPPLSLEEILGVHKGGPRGCRAGQPGHDESAYEVFCDFIHKLLQYDPRKRVSCQQAIQHPFLEPIRALKSRSAAPPSAAPGTGGGNTEAGSAPPPPLPGPPQ
Consensus
[pKd Mean = 6.37]		-1021
(s=85)		13
(s=2)		MRPNGEERPTVALSQNIMSVYEAINTLFYQERQLLLTAPAKYAARKYEDAAGHYLPYPGEEIAERYVVREVIGKGSFGTVLHCVDQKYHEAVAVKVIRSGPYFESQGWFEAQVVAHLNNDPALQNLVVQLRKVFLWKGHMVLVFEPLSFSLYRLITLTKYNGVSLDLTRKFAYQMIKVLLVLEQHQPPIIHCDLKPENVLLRDPSRSEVRVIDFGSACYQQQQKWSPPPAQVVLPSTSPSSSPGPPWDSVAEGPSGGVKPTAAADDDDSSAPQSPPKGPQQRHQATAGSTTASVDAALASGVAAPTAEGADTVEKASDAAPAAAAAAGTATGDNRRGDIIMPKYIQSRYYRSPEVILELGYTTAIDRWSLGCFLVEMHTGVPLFPGKNEGDMVAYFTSILGPLPDYMIAASPKRTQLYYTCHSEPSTKSGGGELAHGVATAGAGPAEDAPPGLTPMSSAPGHAMGSPFFLRAPRVEGEGAAAAAVPGSGSNSPPLSLEEILGVHKGGPRGCRAGQPGHDESAYEVFCDFIHKLLQYDPRKRVSCQQAIQHPFLEPIRALKSRSAAPPSAAPGTGGGNTEAGSAPPPPLPGPPQ



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
GLU70CD131[C],
GLU70OE2434[C],
VAL71C731[F], 1[O], 5[C],
VAL71O434[C],
VAL71CG1431[F], 3[C],
ILE72CG24131[S], 1[F], 5[O], 5[N], 29[C],
ILE72O4631[S], 1[F], 5[O], 4[N], 35[C],
ILE72CB4731[S], 1[F], 4[O], 6[N], 35[C],
ILE72CA3431[S], 1[F], 4[O], 3[N], 25[C],
ILE72N2331[S], 1[F], 3[O], 1[N], 17[C],
ILE72C4631[S], 1[F], 4[O], 4[N], 36[C],
ILE72CG15131[S], 1[F], 4[O], 9[N], 36[C],
ILE72CD15031[S], 1[F], 4[O], 8[N], 36[C],
GLY73O3631[S], 1[F], 2[O], 6[N], 25[C],
GLY73C3731[S], 1[F], 2[O], 6[N], 26[C],
GLY73N4731[S], 1[F], 4[O], 6[N], 35[C],
GLY73CA5031[S], 1[F], 4[O], 7[N], 36[C],
LYS74CA2631[F], 1[O], 3[N], 20[C],
LYS74O3031[F], 1[O], 4[N], 23[C],
LYS74CB1631[F], 1[O], 13[C],
LYS74C3031[F], 1[O], 4[N], 23[C],
LYS74CG931[F], 1[O], 7[C],
LYS74CD231[F], 1[C],
LYS74N3131[F], 2[O], 4[N], 23[C],
GLY75N2931[F], 1[O], 22[C], 4[N],
GLY75C1931[F], 1[O], 1[N], 15[C],
GLY75CA2631[F], 1[O], 20[C], 3[N],
GLY75O1031[F], 8[C],
SER76N1231[N], 10[C],
SER76C433[C],
SER76OG731[N], 5[C],
SER76CA531[N], 3[C],
SER76CB431[N], 2[C],
SER76O332[C],
PHE77CD12731[F], 1[O], 6[N], 18[C],
PHE77CZ3331[S], 1[F], 2[O], 6[N], 23[C],
PHE77C736[C],
PHE77O433[C],
PHE77CA735[C], 1[N],
PHE77CE13331[S], 1[F], 2[O], 6[N], 22[C],
PHE77CB2131[F], 5[N], 14[C],
PHE77CD23531[F], 2[O], 7[N], 24[C],
PHE77CE23231[S], 1[F], 2[O], 7[N], 20[C],
PHE77N1131[N], 9[C],
PHE77CG2931[F], 1[O], 7[N], 19[C],
GLY78C1531[F], 11[C], 2[N],
GLY78CA731[F], 5[C],
GLY78N931[F], 7[C],
GLY78O1831[F], 14[C], 2[N],
THR79O3131[F], 2[O], 7[N], 20[C],
THR79CG2431[F], 2[C],
THR79C3631[S], 1[F], 2[O], 7[N], 24[C],
THR79N1631[F], 11[C], 3[N],
THR79CA2431[F], 5[N], 17[C],
THR79CB1131[F], 9[C],
THR79OG11231[F], 1[N], 9[C],
VAL80CA6231[S], 1[F], 5[O], 11[N], 43[C],
VAL80O4431[S], 1[F], 3[O], 7[N], 32[C],
VAL80N5031[S], 1[F], 3[O], 8[N], 36[C],
VAL80C5131[S], 1[F], 3[O], 8[N], 37[C],
VAL80CG27131[S], 1[F], 5[O], 12[N], 51[C],
VAL80CB7331[S], 1[F], 6[O], 12[N], 52[C],
VAL80CG17031[S], 1[F], 6[O], 12[N], 49[C],
LEU81N2931[S], 1[F], 3[O], 4[N], 20[C],
LEU81C1733[O], 3[N], 11[C],
LEU81O2434[O], 15[C], 5[N],
LEU81CA431[F], 1[O], 2[C],
HIS82CA1634[O], 3[N], 9[C],
HIS82CD22034[O], 3[N], 13[C],
HIS82CG732[O], 1[N], 4[C],
HIS82N1534[O], 3[N], 8[C],
HIS82CB1234[O], 1[N], 7[C],
HIS82NE2331[O], 2[C],
VAL92CB331[C], 2[N],
VAL92O1833[O], 10[C], 5[N],
VAL92CA931[O], 5[C], 3[N],
VAL92N232[N],
VAL92C2233[O], 14[C], 5[N],
ALA93O3431[S], 5[O], 5[N], 23[C],
ALA93CB4531[S], 5[O], 8[N], 31[C],
ALA93CA3631[S], 4[O], 6[N], 25[C],
ALA93N3131[S], 4[O], 5[N], 21[C],
ALA93C3531[S], 4[O], 6[N], 24[C],
VAL94O2631[S], 1[F], 1[O], 2[N], 20[C],
VAL94N3231[S], 4[O], 6[N], 21[C],
VAL94CA1432[N], 12[C],
VAL94C2631[S], 1[O], 3[N], 20[C],
LYS95CG4331[S], 1[F], 2[O], 8[N], 30[C],
LYS95CA3931[S], 1[F], 2[O], 7[N], 27[C],
LYS95O231[C],
LYS95C1131[O], 2[N], 7[C],
LYS95CE4431[F], 2[O], 8[N], 32[C],
LYS95NZ4231[F], 2[O], 8[N], 30[C],
LYS95CB4231[S], 1[F], 2[O], 8[N], 29[C],
LYS95CD4531[S], 1[F], 2[O], 8[N], 32[C],
LYS95N3132[O], 6[N], 22[C],
VAL96CA332[C],
VAL96N433[C],
VAL96O433[C],
VAL96CB131[C],
VAL96C433[C],
ILE97C131[C],
ILE97N231[C],
ILE97CB131[C],
ILE97CD1433[C],
ILE97CG1231[C],
ILE97CA231[C],
ILE97CG2131[C],
ILE97O131[C],
ARG98NE131[C],
ARG98CB131[C],
ARG98N131[C],
ARG98CZ332[C],
ARG98CA131[C],
ARG98CD131[C],
ARG98CG131[C],
GLU110CD1632[O], 3[N], 11[C],
GLU110CB231[O], 1[N],
GLU110OE12032[O], 4[N], 13[C],
GLU110CG732[O], 1[N], 4[C],
GLU110OE22432[O], 5[N], 17[C],
VAL128CG12831[S], 2[O], 5[N], 20[C],
VAL128CA1233[N], 9[C],
VAL128O232[C],
VAL128CG23531[S], 4[O], 6[N], 24[C],
VAL128CB3131[S], 2[O], 5[N], 23[C],
VAL128C732[N], 5[C],
VAL128N232[C],
GLN129O1033[N], 7[C],
GLN129N631[N], 5[C],
GLN129C333[C],
LEU130CD2333[C],
LEU130CG131[C],
LEU142O1331[O], 1[N], 11[C],
LEU142CB431[O], 1[N], 2[C],
LEU142CD2331[N], 2[C],
LEU142CG131[C],
LEU142CD1131[O],
LEU142C131[C],
VAL143CA232[C],
VAL143C1032[N], 8[C],
VAL143O531[N], 4[C],
VAL143N131[C],
PHE144O2231[O], 4[N], 17[C],
PHE144CE23732[O], 8[N], 26[C],
PHE144CD13931[S], 3[O], 9[N], 26[C],
PHE144CB3931[S], 5[O], 8[N], 25[C],
PHE144CG3831[S], 4[O], 8[N], 25[C],
PHE144N2231[O], 4[N], 17[C],
PHE144CE13431[S], 2[O], 8[N], 23[C],
PHE144CZ3231[S], 2[O], 7[N], 22[C],
PHE144CD23831[S], 3[O], 8[N], 26[C],
PHE144C2131[O], 4[N], 16[C],
PHE144CA2632[O], 4[N], 20[C],
GLU145OE2634[C], 2[N],
GLU145CA1731[O], 12[C], 4[N],
GLU145O3331[S], 4[O], 5[N], 23[C],
GLU145CB1131[O], 6[C], 4[N],
GLU145OE1231[C], 1[N],
GLU145CG1631[O], 11[C], 4[N],
GLU145N2031[O], 4[N], 15[C],
GLU145CD734[C], 3[N],
GLU145C2933[O], 5[N], 21[C],
PRO146CB2533[O], 17[C], 5[N],
PRO146C2934[O], 20[C], 5[N],
PRO146CD1331[O], 4[N], 8[C],
PRO146O2233[O], 14[C], 5[N],
PRO146CA3031[S], 4[O], 5[N], 20[C],
PRO146N2633[O], 5[N], 18[C],
PRO146CG1331[O], 4[N], 8[C],
LEU147C3431[S], 4[O], 24[C], 5[N],
LEU147N3531[S], 4[O], 5[N], 25[C],
LEU147CB3631[S], 4[O], 6[N], 25[C],
LEU147CD22333[O], 15[C], 5[N],
LEU147CG3431[S], 4[O], 5[N], 24[C],
LEU147CD13331[S], 4[O], 6[N], 22[C],
LEU147O3431[S], 4[O], 24[C], 5[N],
LEU147CA3431[S], 4[O], 5[N], 24[C],
SER148O3531[S], 4[O], 24[C], 6[N],
SER148C2734[O], 4[N], 19[C],
SER148CB1533[O], 2[N], 10[C],
SER148CA2534[O], 4[N], 17[C],
SER148N2934[O], 4[N], 21[C],
SER148OG1131[O], 1[N], 9[C],
PHE149CE2333[C],
PHE149CB1131[O], 1[N], 9[C],
PHE149C1834[O], 1[N], 13[C],
PHE149CA2034[O], 2[N], 14[C],
PHE149CD1333[C],
PHE149N2134[O], 2[N], 15[C],
PHE149CE1131[C],
PHE149O1433[O], 1[N], 10[C],
PHE149CD2737[C],
PHE149CG737[C],
SER150CB2433[O], 2[N], 19[C],
SER150N1734[O], 1[N], 12[C],
SER150OG1332[O], 11[C],
SER150CA1232[O], 1[N], 9[C],
ARG153CD1132[O], 9[C],
ARG153CG636[C],
ARG153CB333[C],
ARG153NE1833[O], 15[C],
ARG153CZ2934[O], 1[N], 24[C],
HIS191CE1231[N], 1[C],
HIS191NE2231[N], 1[C],
ASP193CG331[N], 2[C],
ASP193O231[N], 1[C],
ASP193CB131[N],
ASP193OD21137[C], 4[N],
ASP193CA131[N],
ASP193OD1231[N], 1[C],
ASP193C131[N],
LYS195CE1531[O], 11[C], 3[N],
LYS195CD731[O], 1[N], 5[C],
LYS195NZ1531[O], 2[N], 12[C],
LYS195CG431[N], 3[C],
PRO196O232[C],
PRO196C232[C],
GLU197CA1931[O], 2[N], 16[C],
GLU197OE1531[O], 4[C],
GLU197N731[O], 1[N], 5[C],
GLU197C3231[S], 2[O], 7[N], 22[C],
GLU197O5031[S], 1[F], 4[O], 7[N], 37[C],
GLU197CB2231[O], 3[N], 18[C],
GLU197CD931[O], 1[N], 7[C],
GLU197CG1631[O], 1[N], 14[C],
GLU197OE2431[O], 3[C],
ASN198CB2732[O], 8[N], 17[C],
ASN198O1331[O], 2[N], 10[C],
ASN198CG3831[S], 3[O], 8[N], 26[C],
ASN198N2232[O], 6[N], 14[C],
ASN198CA3431[S], 3[O], 8[N], 22[C],
ASN198ND23033[O], 7[N], 20[C],
ASN198OD14931[S], 1[F], 3[O], 8[N], 36[C],
ASN198C1431[O], 3[N], 10[C],
VAL199N531[N], 4[C],
LEU200CA2231[S], 3[O], 4[N], 14[C],
LEU200CG5331[S], 5[O], 8[N], 39[C],
LEU200CB3631[S], 4[O], 6[N], 25[C],
LEU200N431[O], 3[C],
LEU200CD16231[S], 5[O], 12[N], 44[C],
LEU200C231[O], 1[C],
LEU200CD26431[S], 6[O], 11[N], 46[C],
LEU201C231[O], 1[C],
LEU201O2033[O], 4[N], 13[C],
LEU201N232[C],
ARG202O331[O], 1[C], 1[N],
PRO204CD131[C],
PRO204CG131[C],
VAL211O932[O], 1[N], 6[C],
VAL211C1232[O], 1[N], 9[C],
ILE212CG16131[S], 1[F], 5[O], 11[N], 43[C],
ILE212CA4331[S], 2[O], 9[N], 31[C],
ILE212CD17231[S], 1[F], 7[O], 13[N], 50[C],
ILE212CB5631[S], 5[O], 12[N], 38[C],
ILE212N3131[S], 2[O], 5[N], 23[C],
ILE212CG25331[S], 6[O], 11[N], 35[C],
ILE212O2931[S], 2[O], 7[N], 19[C],
ILE212C3831[S], 2[O], 9[N], 26[C],
ASP213CB4931[S], 1[F], 2[O], 9[N], 35[C],
ASP213O1832[O], 4[N], 12[C],
ASP213N4131[S], 2[O], 9[N], 29[C],
ASP213OD13932[O], 8[N], 28[C],
ASP213CG4531[S], 1[F], 2[O], 8[N], 32[C],
ASP213C2632[O], 7[N], 17[C],
ASP213OD24631[S], 1[F], 3[O], 8[N], 32[C],
ASP213CA4031[S], 2[O], 9[N], 28[C],
PHE214CA732[O], 2[N], 3[C],
PHE214N1932[O], 4[N], 13[C],
PHE214O231[O], 1[N],
PHE214CB231[O], 1[N],
PHE214CD2131[O],
PHE214CG131[O],
PHE214C631[O], 2[N], 3[C],
PHE214CD1431[O], 1[N], 2[C],
GLY215N1032[O], 4[N], 4[C],
GLY215C331[O], 1[C], 1[N],
GLY215CA831[O], 4[N], 3[C],
SER216N231[C], 1[N],
SER216OG131[N],
Total = 280



Download csv file of statistical distribution of contacts