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] : 2 (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_11(2WO6/A) = [7.3] Download1389.4122.53MADSSKVTLSRASPERLVHHHRVRCAALEGETHAPYEVEAEPTQVDSSHRHYLHYGNAAHIGVHWHSSDAVHGGYSEPSAAGELTAESRETGAVNAAPAPTTSSSTSSPTSASTAARTRLSLSHLSPRTAGEGQPASLTHNPPAVHADPAARPAAPMASTGANGCGHPAVSASAEGRLNHVHATGEAGAPSSASSHSTGLPAPTAAPPKDASTTTAAKNHPLASATTHARTGFSNGRLPSHPEPAASTAAGTTRPPSHPQLPLSHPTTSSAAAAAAATFSSGAVAKEGGTNGAGASTSDGADPYARPAIALSVHLLDLYKMVNARYCAQRRLESPGPKYNSGYDDKDGHYLFLPGEVIFQRYIAQEVLGKGSFGTVIRGFDQKRSEAVAMKITRRGSSFRSQAKLELDILLRLNENPALNHLVVRLLKVFEWQGHLVLVFELLSFNLYQLIKCTRFNGVSLDLVRKFAYQLTHTLLQLELQKPHPIIHCDLKPENILLRNQNRSGIRLIDFGSACYTAKRFHRYIQSRFYRSPEVILFLDYGTPIDRWSLACVLVEMHTGVPLFDGRTEAAQLAKIEATLGPIPAGMVAGSPKANRFYYGNATSGFQLKEPIPERRTLESVIGVTTGGPRGRRLNTPGHDEKAYREFHDFISRFLRYQPEERMSCRDALQHPFLRPLYTSDLQQQKDREVAQPISAPQPPQKQQHTQCSQNSKPQPQSPKNINATTTKMLTSTERSRASALPPAE
Complex: 3RA_A_7(4AZE) / Model_19(4AZE/A) = [6.8] Download723.1328.67MADSSKVTLSRASPERLVHHHRVRCAALEGETHAPYEVEAEPTQVDSSHRHYLHYGNAAHIGVHWHSSDAVHGGYSEPSAAGELTAESRETGAVNAAPAPTTSSSTSSPTSASTAARTRLSLSHLSPRTAGEGQPASLTHNPPAVHADPAARPAAPMASTGANGCGHPAVSASAEGRLNHVHATGEAGAPSSASSHSTGLPAPTAAPPKDASTTTAAKNHPLASATTHARTGFSNGRLPSHPEPAASTAAGTTRPPSHPQLPLSHPTTSSAAAAAAATFSSGAVAKEGGTNGAGASTSDGADPYARPAIALSVHLLDLYKMVNARYCAQRRLESPGPKYNSGYDDKDGHYLFLPGEVIFQRYIAQEVLGKGSFGTVIRGFDQKRSEAVAMKITRRGSSFRSQAKLELDILLRLNENPALNHLVVRLLKVFEWQGHLVLVFELLSFNLYQLIKCTRFNGVSLDLVRKFAYQLTHTLLQLELQKPHPIIHCDLKPENILLRNQNRSGIRLIDFGSACYTAKRFHRYIQSRFYRSPEVILFLDYGTPIDRWSLACVLVEMHTGVPLFDGRTEAAQLAKIEATLGPIPAGMVAGSPKANRFYYGNATSGFQLKEPIPERRTLESVIGVTTGGPRGRRLNTPGHDEKAYREFHDFISRFLRYQPEERMSCRDALQHPFLRPLYTSDLQQQKDREVAQPISAPQPPQKQQHTQCSQNSKPQPQSPKNINATTTKMLTSTERSRASALPPAE
Consensus
[pKd Mean = 7.05]		-1056
(s=333)		25
(s=3)		MADSSKVTLSRASPERLVHHHRVRCAALEGETHAPYEVEAEPTQVDSSHRHYLHYGNAAHIGVHWHSSDAVHGGYSEPSAAGELTAESRETGAVNAAPAPTTSSSTSSPTSASTAARTRLSLSHLSPRTAGEGQPASLTHNPPAVHADPAARPAAPMASTGANGCGHPAVSASAEGRLNHVHATGEAGAPSSASSHSTGLPAPTAAPPKDASTTTAAKNHPLASATTHARTGFSNGRLPSHPEPAASTAAGTTRPPSHPQLPLSHPTTSSAAAAAAATFSSGAVAKEGGTNGAGASTSDGADPYARPAIALSVHLLDLYKMVNARYCAQRRLESPGPKYNSGYDDKDGHYLFLPGEVIFQRYIAQEVLGKGSFGTVIRGFDQKRSEAVAMKITRRGSSFRSQAKLELDILLRLNENPALNHLVVRLLKVFEWQGHLVLVFELLSFNLYQLIKCTRFNGVSLDLVRKFAYQLTHTLLQLELQKPHPIIHCDLKPENILLRNQNRSGIRLIDFGSACYTAKRFHRYIQSRFYRSPEVILFLDYGTPIDRWSLACVLVEMHTGVPLFDGRTEAAQLAKIEATLGPIPAGMVAGSPKANRFYYGNATSGFQLKEPIPERRTLESVIGVTTGGPRGRRLNTPGHDEKAYREFHDFISRFLRYQPEERMSCRDALQHPFLRPLYTSDLQQQKDREVAQPISAPQPPQKQQHTQCSQNSKPQPQSPKNINATTTKMLTSTERSRASALPPAE



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]
GLU366OE2424[C],
GLU366CD121[C],
VAL367C521[O], 4[C],
VAL367O323[C],
LEU368O2522[O], 2[N], 21[C],
LEU368CD21523[O], 11[C], 1[N],
LEU368CD12623[O], 3[N], 20[C],
LEU368N1122[O], 9[C],
LEU368C2622[O], 3[N], 21[C],
LEU368CA1922[O], 1[N], 16[C],
LEU368CG2123[O], 2[N], 16[C],
LEU368CB2623[O], 3[N], 20[C],
GLY369CA3022[O], 4[N], 23[C],
GLY369N2822[O], 4[N], 22[C],
GLY369C2121[O], 4[N], 15[C],
GLY369O2221[O], 4[N], 16[C],
LYS370CA1321[N], 11[C],
LYS370CG121[C],
LYS370CB1029[C],
LYS370C1924[N], 14[C],
LYS370N1721[O], 2[N], 13[C],
LYS370O2124[N], 16[C],
GLY371C1623[N], 12[C],
GLY371CA1823[N], 14[C],
GLY371N1823[N], 14[C],
GLY371O821[N], 6[C],
SER372N1222[N], 9[C],
SER372O322[C],
SER372C423[C],
SER372OG721[N], 5[C],
SER372CA521[N], 3[C],
SER372CB421[N], 2[C],
PHE373CZ1521[O], 3[N], 11[C],
PHE373C625[C],
PHE373CD11321[O], 3[N], 8[C],
PHE373CD21921[O], 4[N], 13[C],
PHE373CE11621[O], 3[N], 12[C],
PHE373CE21621[O], 4[N], 11[C],
PHE373CA722[N], 4[C],
PHE373O423[C],
PHE373CB1421[O], 3[N], 9[C],
PHE373CG1421[O], 4[N], 8[C],
PHE373N1123[N], 7[C],
GLY374CA625[C],
GLY374C921[N], 7[C],
GLY374O1021[N], 8[C],
GLY374N822[N], 5[C],
THR375CB625[C],
THR375CG2322[C],
THR375C2322[O], 4[N], 16[C],
THR375O2322[O], 4[N], 16[C],
THR375OG1322[C],
THR375CA1323[N], 9[C],
THR375N1022[N], 7[C],
VAL376CB4925[O], 7[N], 36[C],
VAL376CA4324[O], 7[N], 31[C],
VAL376O2722[O], 4[N], 21[C],
VAL376C3222[O], 4[N], 25[C],
VAL376N3223[O], 4[N], 24[C],
VAL376CG24825[O], 7[N], 35[C],
VAL376CG14825[O], 7[N], 35[C],
ILE377N1922[O], 2[N], 15[C],
ILE377O1923[O], 3[N], 13[C],
ILE377CA522[O], 3[C],
ILE377C1423[O], 2[N], 9[C],
ARG378CA1223[O], 7[C], 2[N],
ARG378N1123[O], 6[C], 2[N],
ARG378CG422[O], 2[C],
ARG378CD121[C],
ARG378CB1023[O], 6[C], 1[N],
VAL388N321[O], 2[N],
VAL388C1422[O], 3[N], 9[C],
VAL388CB222[N],
VAL388O1122[O], 3[N], 6[C],
VAL388CA721[O], 2[N], 4[C],
ALA389C2323[O], 3[N], 17[C],
ALA389N2223[O], 3[N], 16[C],
ALA389CB3023[O], 5[N], 22[C],
ALA389CA2423[O], 3[N], 18[C],
ALA389O2324[O], 3[N], 16[C],
MET390CA1221[N], 11[C],
MET390O2022[O], 1[N], 16[C],
MET390C2021[O], 2[N], 16[C],
MET390N2123[O], 3[N], 15[C],
LYS391CA2622[O], 4[N], 19[C],
LYS391C821[O], 6[C],
LYS391NZ2822[O], 5[N], 20[C],
LYS391N2622[O], 4[N], 19[C],
LYS391CD2822[O], 4[N], 21[C],
LYS391CG3022[O], 4[N], 23[C],
LYS391CB3022[O], 4[N], 23[C],
LYS391CE3222[O], 5[N], 24[C],
LYS391O321[O], 1[C],
ILE392CB121[C],
ILE392CA322[C],
ILE392N423[C],
ILE392C423[C],
ILE392O423[C],
THR393CG2121[C],
THR393CB121[C],
THR393CA221[C],
THR393C121[C],
THR393OG1121[C],
THR393N221[C],
THR393O121[C],
ARG394CD121[C],
ARG394N121[C],
ARG394CB121[C],
ARG394CZ322[C],
ARG394CA121[C],
ARG394NE121[C],
ARG394CG121[C],
GLU406CD1022[O], 1[N], 7[C],
GLU406CG322[O], 1[C],
GLU406CB121[O],
GLU406OE11422[O], 2[N], 9[C],
GLU406OE21522[O], 3[N], 10[C],
LEU410CD2121[O],
LEU410CD1221[O], 1[C],
LEU410CG121[O],
VAL424C621[N], 5[C],
VAL424CA821[N], 7[C],
VAL424N222[C],
VAL424CB2323[O], 3[N], 17[C],
VAL424O222[C],
VAL424CG12222[O], 4[N], 16[C],
VAL424CG22523[O], 4[N], 18[C],
ARG425C323[C],
ARG425N521[N], 4[C],
ARG425O621[N], 5[C],
LEU438CB321[O], 2[C],
LEU438CG121[O],
LEU438O1021[O], 9[C],
LEU438CD1221[O], 1[C],
LEU438C121[C],
VAL439O323[C],
VAL439C521[N], 4[C],
PHE440CZ2222[O], 4[N], 16[C],
PHE440O1621[O], 2[N], 13[C],
PHE440CE22722[O], 5[N], 19[C],
PHE440CB2724[O], 5[N], 18[C],
PHE440CG2624[O], 5[N], 17[C],
PHE440C1521[O], 2[N], 12[C],
PHE440CD22824[O], 5[N], 19[C],
PHE440CD12523[O], 5[N], 17[C],
PHE440CE12122[O], 4[N], 15[C],
PHE440N1521[O], 2[N], 12[C],
PHE440CA1721[O], 2[N], 14[C],
GLU441CD821[O], 2[N], 5[C],
GLU441OE1221[C], 1[N],
GLU441CG1221[O], 2[N], 9[C],
GLU441OE2521[N], 4[C],
GLU441O2223[O], 3[N], 16[C],
GLU441CA1421[O], 2[N], 11[C],
GLU441C2122[O], 3[N], 16[C],
GLU441CB921[O], 2[N], 6[C],
GLU441N1421[O], 2[N], 11[C],
LEU442CG1923[O], 3[N], 13[C],
LEU442CD21322[O], 8[C], 3[N],
LEU442O1622[O], 3[N], 11[C],
LEU442N1922[O], 3[N], 14[C],
LEU442CB1722[O], 3[N], 12[C],
LEU442CD12523[O], 3[N], 19[C],
LEU442CA2223[O], 3[N], 16[C],
LEU442C2323[O], 3[N], 17[C],
LEU443O2723[O], 3[N], 21[C],
LEU443CG2423[O], 3[N], 18[C],
LEU443C2723[O], 3[N], 21[C],
LEU443CD12523[O], 17[C], 5[N],
LEU443N2623[O], 3[N], 20[C],
LEU443CB2723[O], 20[C], 4[N],
LEU443CD21822[O], 3[N], 13[C],
LEU443CA2623[O], 3[N], 20[C],
SER444CB1322[O], 9[C], 2[N],
SER444OG928[C], 1[N],
SER444C2223[O], 3[N], 16[C],
SER444N2423[O], 3[N], 18[C],
SER444CA2123[O], 3[N], 15[C],
SER444O2923[O], 22[C], 4[N],
PHE445CD1323[C],
PHE445CB921[O], 7[C], 1[N],
PHE445N1823[O], 2[N], 13[C],
PHE445C1623[O], 1[N], 12[C],
PHE445CE1121[C],
PHE445CE2323[C],
PHE445CG626[C],
PHE445O1422[O], 1[N], 11[C],
PHE445CD2525[C],
PHE445CA1623[O], 2[N], 11[C],
ASN446OD1626[C],
ASN446CB2422[O], 4[N], 18[C],
ASN446CA1221[O], 10[C], 1[N],
ASN446N1722[O], 1[N], 14[C],
ASN446ND23022[O], 4[N], 24[C],
ASN446CG1321[O], 1[N], 11[C],
TYR448CD2121[C],
TYR448CB121[C],
GLN449NE21622[O], 14[C],
GLN449CD1522[O], 13[C],
GLN449CB424[C],
GLN449CG929[C],
GLN449OE11422[O], 11[C], 1[N],
HIS488NE2321[O], 1[N], 1[C],
HIS488CE1221[N], 1[C],
ASP490OD2321[N], 2[C],
ASP490CB121[N],
ASP490OD1121[N],
ASP490CA121[N],
ASP490CG221[N], 1[C],
ASP490O221[N], 1[C],
ASP490C121[N],
LYS492CG421[N], 3[C],
LYS492CD421[N], 3[C],
LYS492CE722[N], 5[C],
LYS492NZ722[N], 5[C],
PRO493C222[C],
PRO493O323[C],
GLU494O3023[O], 5[N], 22[C],
GLU494CB1524[N], 11[C],
GLU494N621[N], 5[C],
GLU494C2021[O], 5[N], 14[C],
GLU494CA1223[N], 9[C],
GLU494CG922[N], 7[C],
GLU494OE1323[C],
GLU494CD621[N], 5[C],
GLU494OE2323[C],
ASN495N1821[O], 5[N], 12[C],
ASN495ND21622[O], 4[N], 10[C],
ASN495O1822[O], 5[N], 11[C],
ASN495CG2322[O], 5[N], 16[C],
ASN495CB1822[O], 5[N], 11[C],
ASN495CA2422[O], 5[N], 17[C],
ASN495OD12822[O], 5[N], 21[C],
ASN495C1822[O], 5[N], 11[C],
ILE496N421[N], 3[C],
LEU497CA1822[O], 3[N], 13[C],
LEU497CD14625[O], 8[N], 33[C],
LEU497CB2923[O], 5[N], 21[C],
LEU497CG4424[O], 7[N], 33[C],
LEU497N323[C],
LEU497CD24825[O], 7[N], 36[C],
LEU497C221[O], 1[C],
LEU498N222[C],
LEU498O1622[O], 3[N], 11[C],
LEU498C221[O], 1[C],
ARG499O221[C], 1[N],
GLN501NE2424[C],
GLN501CD222[C],
GLN501CG222[C],
ARG507O121[C],
LEU508O1022[O], 8[C],
LEU508C1122[O], 9[C],
ILE509N2022[O], 3[N], 15[C],
ILE509CD14625[O], 8[N], 33[C],
ILE509CG23725[O], 7[N], 25[C],
ILE509CG14024[O], 6[N], 30[C],
ILE509CB3824[O], 7[N], 27[C],
ILE509O2022[O], 5[N], 13[C],
ILE509C2522[O], 5[N], 18[C],
ILE509CA2922[O], 6[N], 21[C],
ASP510CA2722[O], 5[N], 20[C],
ASP510OD12422[O], 5[N], 16[C],
ASP510OD22922[O], 5[N], 21[C],
ASP510CG2722[O], 5[N], 19[C],
ASP510O1322[O], 4[N], 7[C],
ASP510CB3022[O], 5[N], 22[C],
ASP510C1722[O], 5[N], 10[C],
ASP510N2822[O], 5[N], 21[C],
PHE511CD2121[O],
PHE511CG121[O],
PHE511CA422[O], 1[N], 1[C],
PHE511CB121[O],
PHE511CD1221[O], 1[C],
PHE511C221[O], 1[C],
PHE511N1122[O], 2[N], 7[C],
PHE511CE1121[O],
GLY512CA321[O], 2[N],
GLY512N622[O], 2[N], 2[C],
SER513OG121[N],
SER527OG121[N],
Total = 280



Download csv file of statistical distribution of contacts