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 :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: SFG_D_6(5TWK) / Model_20(5TWK/D) = [6.5] Download1108.6141.36MKIRILTIGQKMPAWVLTGFEDYFKRIQPFVQTQVIKLPMAKRGKNDSEADILKYCQIEGESILNALKPNETLIALEVGGRELSTEKLADTMKQWMLEGNDVALAIGGPDGLSDQVRKAAAWHWSLSKLTMPHPLVRILLIEQLYRAMSINHNHPYHRA
Consensus
[pKd Mean = 6.50]		-1108
(s=0)		41
(s=0)		MKIRILTIGQKMPAWVLTGFEDYFKRIQPFVQTQVIKLPMAKRGKNDSEADILKYCQIEGESILNALKPNETLIALEVGGRELSTEKLADTMKQWMLEGNDVALAIGGPDGLSDQVRKAAAWHWSLSKLTMPHPLVRILLIEQLYRAMSINHNHPYHRA



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]
LEU6O111[O],
ILE8CB311[C], 1[N], 1[O],
ILE8CD1511[N], 3[C], 1[O],
ILE8N111[N],
ILE8C111[N],
ILE8O111[N],
ILE8CA111[N],
ILE8CG1211[O], 1[N],
ILE8CG2111[N],
MET40CE212[N],
MET40SD111[N],
ALA75C813[N], 4[C], 1[O],
ALA75O612[N], 3[C], 1[O],
ALA75CB411[C], 1[N], 2[O],
ALA75N111[O],
ALA75CA412[C], 1[N], 1[O],
LEU76CB1815[N], 10[C], 3[O],
LEU76CG1713[O], 9[C], 5[N],
LEU76CD2913[N], 4[C], 2[O],
LEU76CA1713[O], 9[C], 5[N],
LEU76O1913[O], 11[C], 5[N],
LEU76C1813[O], 10[C], 5[N],
LEU76CD11417[C], 5[N], 2[O],
LEU76N1418[C], 3[N], 3[O],
GLU77OE2412[O], 2[C],
GLU77O1411[O], 5[N], 8[C],
GLU77CA18110[C], 5[N], 3[O],
GLU77OE1211[O], 1[C],
GLU77CD612[O], 1[N], 3[C],
GLU77CG1513[O], 3[N], 9[C],
GLU77C1713[O], 9[C], 5[N],
GLU77N1715[N], 9[C], 3[O],
GLU77CB1719[C], 5[N], 3[O],
VAL78O814[N], 4[C],
VAL78CB1512[O], 8[C], 5[N],
VAL78CG22013[O], 12[C], 5[N],
VAL78C1116[C], 5[N],
VAL78CG11015[C], 5[N],
VAL78CA1515[N], 8[C], 2[O],
VAL78N1813[O], 5[N], 10[C],
GLY79C211[C], 1[N],
GLY79N915[N], 4[C],
GLY79CA412[N], 2[C],
GLY80N513[N], 2[C],
GLY80C211[C], 1[N],
GLY80CA312[N], 1[C],
GLY80O111[N],
ARG81O211[C], 1[N],
LEU104C111[O],
ALA105O1113[O], 2[N], 6[C],
ALA105N111[O],
ALA105C913[O], 2[N], 4[C],
ALA105CB212[O],
ALA105CA312[O], 1[C],
ILE106CG11513[O], 3[N], 9[C],
ILE106C1418[C], 3[N], 3[O],
ILE106CA1519[C], 3[N], 3[O],
ILE106CD11213[O], 7[C], 2[N],
ILE106CB1513[O], 9[C], 3[N],
ILE106N913[O], 2[N], 4[C],
ILE106O1112[N], 6[C], 3[O],
ILE106CG21814[N], 11[C], 3[O],
GLY107CA1412[N], 9[C], 3[O],
GLY107N1513[N], 9[C], 3[O],
GLY107C1613[N], 10[C], 3[O],
GLY107O1713[N], 11[C], 3[O],
GLY108O19111[C], 3[N], 5[O],
GLY108CA1413[O], 9[C], 2[N],
GLY108C1715[O], 10[C], 2[N],
GLY108N1412[N], 9[C], 3[O],
PRO109CD1112[O], 2[N], 7[C],
PRO109N1418[C], 2[N], 4[O],
PRO109CB1112[O], 7[C], 2[N],
PRO109C1414[O], 8[C], 2[N],
PRO109CA1412[N], 8[C], 4[O],
PRO109CG911[O], 2[N], 6[C],
PRO109O1414[O], 8[C], 2[N],
ASP110CB411[O], 2[C], 1[N],
ASP110N1318[C], 2[N], 3[O],
ASP110OD1411[N], 2[C], 1[O],
ASP110CA1313[O], 8[C], 2[N],
ASP110C1319[C], 2[N], 2[O],
ASP110CG211[C], 1[N],
ASP110O911[O], 6[C], 2[N],
GLY111CA1613[O], 10[C], 3[N],
GLY111C1111[N], 7[C], 3[O],
GLY111N1614[O], 2[N], 10[C],
GLY111O1013[O], 1[N], 6[C],
LEU112CD11213[O], 2[N], 7[C],
LEU112CB712[O], 5[C],
LEU112O312[O], 1[C],
LEU112CG1013[O], 2[N], 5[C],
LEU112C312[O], 1[C],
LEU112CA612[O], 4[C],
LEU112CD2813[O], 5[C],
LEU112N1013[O], 1[N], 6[C],
SER113N111[O],
VAL116CG1111[O],
ARG117NE212[O],
ARG117CZ111[O],
HIS123C111[C],
TRP124NE1312[N], 1[C],
TRP124CD1412[C], 2[N],
TRP124CE3211[N], 1[C],
TRP124N312[N], 1[C],
TRP124CB311[C], 2[N],
TRP124C714[C], 3[N],
TRP124O1317[C], 5[N], 1[O],
TRP124CE2311[C], 2[N],
TRP124CZ2111[C],
TRP124CG312[N], 1[C],
TRP124CD2311[C], 2[N],
TRP124CA412[N], 2[C],
SER125N714[C], 3[N],
SER125C915[N], 4[C],
SER125CA914[C], 5[N],
SER125O714[C], 3[N],
SER125OG915[N], 4[C],
SER125CB814[N], 4[C],
LEU126CB1116[C], 5[N],
LEU126CD2814[N], 4[C],
LEU126CA1015[C], 5[N],
LEU126O713[N], 4[C],
LEU126CD11412[O], 7[C], 5[N],
LEU126CG1116[C], 5[N],
LEU126N1115[N], 6[C],
LEU126C814[N], 4[C],
SER127C914[N], 5[C],
SER127CB1015[C], 5[N],
SER127CA814[C], 4[N],
SER127OG613[C], 3[N],
SER127O1015[C], 5[N],
SER127N1015[N], 5[C],
LYS128CB211[C], 1[N],
LYS128N613[N], 3[C],
LYS128O513[N], 2[C],
LYS128C512[C], 3[N],
LYS128CA512[C], 3[N],
LYS128CG111[N],
LEU129O1412[O], 7[C], 5[N],
LEU129C1115[C], 5[N], 1[O],
LEU129CD1111[N],
LEU129N613[N], 3[C],
LEU129CG111[N],
LEU129CA613[C], 3[N],
LEU129CB613[N], 3[C],
LEU129CD2111[N],
THR130O1613[O], 3[N], 10[C],
THR130CG22113[O], 5[N], 13[C],
THR130C2015[N], 12[C], 3[O],
THR130CA1913[O], 11[C], 5[N],
THR130OG11217[C], 3[N], 2[O],
THR130N1011[O], 4[N], 5[C],
THR130CB1512[O], 3[N], 10[C],
MET131O27115[C], 7[N], 5[O],
MET131CG1411[O], 8[C], 5[N],
MET131CA2413[O], 15[C], 6[N],
MET131CB21113[C], 6[N], 2[O],
MET131CE512[N], 3[C],
MET131N2416[N], 15[C], 3[O],
MET131SD814[C], 4[N],
MET131C24114[C], 7[N], 3[O],
PRO132CD1313[O], 3[N], 7[C],
PRO132CB1213[O], 2[N], 7[C],
PRO132CG911[N], 6[C], 2[O],
PRO132CA1814[N], 11[C], 3[O],
PRO132N2013[O], 5[N], 12[C],
PRO132O17111[C], 4[N], 2[O],
PRO132C2013[O], 13[C], 4[N],
HIS133CG1613[N], 10[C], 3[O],
HIS133O1112[N], 8[C], 1[O],
HIS133CE11312[N], 8[C], 3[O],
HIS133CD2816[C], 1[N], 1[O],
HIS133N2114[N], 13[C], 4[O],
HIS133CA2114[N], 13[C], 4[O],
HIS133CB1813[N], 11[C], 4[O],
HIS133ND11613[N], 10[C], 3[O],
HIS133NE2712[O], 4[C], 1[N],
HIS133C1011[O], 7[C], 2[N],
PRO134N711[O], 5[C], 1[N],
PRO134CD714[C], 2[N], 1[O],
PRO134CG111[N],
PRO134CA111[N],
LEU135C211[C], 1[O],
VAL136CB2216[N], 13[C], 3[O],
VAL136CG12116[N], 12[C], 3[O],
VAL136CA1511[O], 9[C], 5[N],
VAL136O712[N], 4[C], 1[O],
VAL136C913[N], 5[C], 1[O],
VAL136N1214[N], 7[C], 1[O],
VAL136CG222113[C], 6[N], 3[O],
ARG137N311[O], 1[N], 1[C],
LEU139CD1714[C], 3[N],
LEU140CG513[C], 2[N],
LEU140CD2412[N], 2[C],
LEU140CD1713[C], 2[N], 2[O],
Total = 196



Download csv file of statistical distribution of contacts