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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 15P_A_3(4OPM) / Model_1(4OPM/A) = [12.5] Download2790.1146.86MKKTATALTLACSLLSVMSISQAQAADNIDVSFQTILQQERNWAGLQSKSLKVGDITWSYSEGGSSTKPTLLLIHGLAGSRDNWNRVAHYLTTNYHVIIPDLPGSGETIVSHDFDYSVPNLAEKLRRFVEAANLKGPIHIAGHSLGGSIALLYAGQYPFETKSLFLVDSGGIFRSANTIYLKDLTYLKQLLVSKKGDFNYLLKQTMFNPPFIPREFLQAQEKLMINQAPQTQKLVDQLIALNKVYTPDSFAVLTKTIDAPTLILWGKQDKIINVEVANELKRLLKNAQPPVILENVGHMPILEAEQLVIQQYVPFLLKVETNQSSKTTTP
Consensus
[pKd Mean = 12.50]		-2790
(s=0)		46
(s=0)		MKKTATALTLACSLLSVMSISQAQAADNIDVSFQTILQQERNWAGLQSKSLKVGDITWSYSEGGSSTKPTLLLIHGLAGSRDNWNRVAHYLTTNYHVIIPDLPGSGETIVSHDFDYSVPNLAEKLRRFVEAANLKGPIHIAGHSLGGSIALLYAGQYPFETKSLFLVDSGGIFRSANTIYLKDLTYLKQLLVSKKGDFNYLLKQTMFNPPFIPREFLQAQEKLMINQAPQTQKLVDQLIALNKVYTPDSFAVLTKTIDAPTLILWGKQDKIINVEVANELKRLLKNAQPPVILENVGHMPILEAEQLVIQQYVPFLLKVETNQSSKTTTP



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]
ILE29CD1111[O],
PHE33CG512[O], 3[C],
PHE33CE2712[O], 5[C],
PHE33CD1815[C], 3[O],
PHE33CD2614[C], 2[O],
PHE33CZ1114[O], 7[C],
PHE33CE11013[O], 7[C],
ILE36CD1714[C], 3[O],
ILE36CG1715[C], 2[O],
ILE36CG21014[O], 6[C],
LEU37CG715[C], 2[O],
LEU37CD1612[O], 4[C],
LEU37CD2913[O], 6[C],
GLU40CG816[C], 2[O],
GLU40OE11017[C], 3[O],
GLU40OE21117[C], 4[O],
GLU40CD1013[O], 7[C],
TRP43CZ3111[C],
TRP43CE3111[C],
HIS75CG212[C],
HIS75ND1311[O], 2[C],
HIS75CE1212[C],
LEU77CD21419[C], 5[O],
LEU77CD11017[C], 3[O],
LEU77CG1319[C], 4[O],
SER80OG812[O], 6[C],
ASP82CG411[O], 3[C],
ASP82OD2211[O], 1[C],
ASP82OD1211[C], 1[O],
ASN83ND21314[O], 9[C],
ASN83OD11218[C], 4[O],
ASN83CG1218[C], 4[O],
ASN85ND2511[O], 4[C],
ASN85CG111[O],
ARG86CZ1315[O], 8[C],
ARG86CG412[O], 2[C],
ARG86CD512[O], 3[C],
ARG86NE1218[C], 4[O],
VAL118CG21114[O], 7[C],
VAL118CG11214[O], 8[C],
PRO119CG913[O], 6[C],
PRO119CD815[C], 3[O],
HIS143ND11016[C], 4[O],
HIS143CD2513[C], 2[O],
HIS143CE11114[O], 7[C],
HIS143NE2815[C], 3[O],
HIS143CG612[O], 4[C],
SER144OG1415[O], 9[C],
LEU145CD11515[O], 10[C],
LEU145CG1315[O], 8[C],
LEU145CD21114[O], 7[C],
SER148OG1515[O], 10[C],
ILE149CG1212[C],
LEU151CG411[O], 3[C],
LEU151CD1512[O], 3[C],
LEU151CD2111[C],
LEU152CG1214[O], 8[C],
LEU152CD21218[C], 4[O],
LEU152CD11214[O], 8[C],
GLN156CG511[O], 4[C],
GLN156OE1211[C], 1[O],
GLN156CD511[O], 4[C],
GLN156NE2612[O], 4[C],
SER169OG312[C], 1[O],
ILE172CG11419[C], 5[O],
ILE172CD114110[C], 4[O],
ILE172CG21118[C], 3[O],
PHE173CG111[C],
PHE173CZ612[O], 4[C],
PHE173CD2613[O], 3[C],
PHE173CE2916[C], 3[O],
PHE173CE1111[O],
THR178OG1211[O], 1[C],
TYR180CD1511[O], 4[C],
TYR180CG913[O], 6[C],
TYR180CZ111[C],
TYR180CE1212[C],
TYR180CD2414[C],
TYR180CE2111[C],
LEU181CD21218[C], 4[O],
LEU181CG813[O], 5[C],
LEU181CD1511[O], 4[C],
LEU184CD11013[O], 7[C],
LEU184CG1118[C], 3[O],
LEU184CD21114[O], 7[C],
LEU187CG1218[C], 4[O],
LEU187CD11214[O], 8[C],
LEU187CD21318[C], 5[O],
LEU190CG612[O], 4[C],
LEU190CD1916[C], 3[O],
LEU190CD2513[C], 2[O],
LEU191CD1111[C],
VAL192CG2412[C], 2[O],
PHE198CD1913[O], 6[C],
PHE198CE11114[O], 7[C],
PHE198CD2813[O], 5[C],
PHE198CG715[C], 2[O],
PHE198CE21118[C], 3[O],
PHE198CZ1114[O], 7[C],
LEU201CD21318[C], 5[O],
LEU201CD11214[O], 8[C],
LEU201CG1117[C], 4[O],
LEU202CD21014[O], 6[C],
LEU202CD1712[O], 5[C],
LEU202CG612[O], 4[C],
THR205CG21319[C], 4[O],
THR205OG11318[C], 5[O],
MET206SD812[O], 6[C],
MET206CE913[O], 6[C],
MET206CG714[C], 3[O],
PRO210CG1013[O], 7[C],
PRO210CD712[O], 5[C],
PHE211CD21218[C], 4[O],
PHE211CG1017[C], 3[O],
PHE211CE1913[O], 6[C],
PHE211CD1913[O], 6[C],
PHE211CZ1014[O], 6[C],
PHE211CE21214[O], 8[C],
ILE212CG114110[C], 4[O],
ILE212CG21319[C], 4[O],
ILE212CD11318[C], 5[O],
PRO213CG1414[O], 10[C],
PRO213CD1415[O], 9[C],
PHE216CZ1219[C], 3[O],
PHE216CE11017[C], 3[O],
PHE216CE21419[C], 5[O],
PHE216CD21319[C], 4[O],
PHE216CD11016[C], 4[O],
PHE216CG1218[C], 4[O],
LEU217CG311[C], 2[O],
LEU217CD1111[C],
GLN220OE11214[O], 8[C],
GLN220NE21118[C], 3[O],
GLN220CG1218[C], 4[O],
GLN220CD1214[O], 8[C],
MET224CE1214[O], 8[C],
MET224CG813[O], 5[C],
MET224SD916[C], 3[O],
THR231CG2111[C],
VAL235CG2513[C], 2[O],
LEU238CD11515[O], 10[C],
LEU238CD21419[C], 5[O],
LEU238CG1319[C], 4[O],
ILE239CG1111[C],
LEU241CD215110[C], 5[O],
LEU241CD11419[C], 5[O],
LEU241CG1415[O], 9[C],
ASN242ND2614[C], 2[O],
ASN242OD1913[O], 6[C],
ASN242CG713[O], 4[C],
VAL244CG1211[C], 1[O],
TYR245CD11016[C], 4[O],
TYR245CE21218[C], 4[O],
TYR245CZ1014[O], 6[C],
TYR245CG1315[O], 8[C],
TYR245CE11016[C], 4[O],
TYR245CD21419[C], 5[O],
THR246OG1111[C],
SER249OG1014[O], 6[C],
PHE250CG1114[O], 7[C],
PHE250CE2612[O], 4[C],
PHE250CD2614[C], 2[O],
PHE250CZ816[C], 2[O],
PHE250CD11214[O], 8[C],
PHE250CE11013[O], 7[C],
VAL252CG2211[O], 1[C],
VAL252CG1412[C], 2[O],
LEU253CD21315[O], 8[C],
LEU253CD11117[C], 4[O],
LEU253CG1218[C], 4[O],
THR254CG2212[C],
THR256OG1211[C], 1[O],
THR256CG2211[C], 1[O],
ILE271CG1916[C], 3[O],
ILE271CG21214[O], 8[C],
ILE271CD1913[O], 6[C],
ILE272CG11113[O], 8[C],
ILE272CG2612[O], 4[C],
ILE272CD11218[C], 4[O],
HIS298CE11218[C], 4[O],
HIS298ND11013[O], 7[C],
HIS298CD21214[O], 8[C],
HIS298CG1117[C], 4[O],
HIS298NE21415[O], 9[C],
MET299SD1319[C], 4[O],
MET299CG1318[C], 5[O],
MET299CE1319[C], 4[O],
ILE301CG1111[C],
ILE301CD1212[C],
LEU302CG1013[O], 7[C],
LEU302CD11319[C], 4[O],
LEU302CD21114[O], 7[C],
Total = 192



Download csv file of statistical distribution of contacts