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



Prediction Binding Site :


Binding Site Prediction
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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: 0VR_D_2(4EWN) / Model_10(4EWN/D) = [4.5] Download1028.7115.27MEKAMLAKRIIPCLDVDNGRVVKGVQFLDIRDAGDPVEVARRYNEQGADEITFLDITATHHGRDTTYRTVERMAETVFVPLTVGGGVRKVEDIRALLNAGADKVSINSAAVFNPEFVQEASQHFGAQCIVVAIDAKKTGDNKWEIFTHGGRKPTGIDAIEWAVKMADYGAGELLITSMGADGTKAGYDIALMRAINDRVTIPTIASGGVGNLQHLADGILQGGADAVLAASIFHFGQYTIPEAKQYLAEQGIEMRL
Consensus
[pKd Mean = 4.50]		-1028
(s=0)		15
(s=0)		MEKAMLAKRIIPCLDVDNGRVVKGVQFLDIRDAGDPVEVARRYNEQGADEITFLDITATHHGRDTTYRTVERMAETVFVPLTVGGGVRKVEDIRALLNAGADKVSINSAAVFNPEFVQEASQHFGAQCIVVAIDAKKTGDNKWEIFTHGGRKPTGIDAIEWAVKMADYGAGELLITSMGADGTKAGYDIALMRAINDRVTIPTIASGGVGNLQHLADGILQGGADAVLAASIFHFGQYTIPEAKQYLAEQGIEMRL



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]
ILE11O211[O], 1[C],
PRO12C211[C], 1[O],
CYS13CA914[C], 5[O],
CYS13C714[C], 3[O],
CYS13N613[C], 3[O],
CYS13O914[C], 1[P], 4[O],
CYS13SG1517[O], 7[C], 1[P],
CYS13CB1215[C], 1[P], 6[O],
LEU14CA111[O],
LEU14C111[O],
LEU14N211[O], 1[C],
LEU14O111[O],
ASP15OD11516[O], 8[C], 1[P],
ASP15CA413[C], 1[O],
ASP15OD21315[O], 1[P], 7[C],
ASP15CG915[C], 4[O],
ASP15N312[C], 1[O],
ASP15CB413[C], 1[O],
THR52CG2411[C], 3[O],
THR52CB212[O],
THR52O111[O],
LEU54N111[O],
LEU54CG1314[O], 9[C],
LEU54CD11319[C], 4[O],
LEU54O211[C], 1[O],
LEU54CA713[C], 4[O],
LEU54CD21715[O], 12[C],
LEU54CB1117[C], 4[O],
LEU54C212[O],
ASP55C311[C], 2[O],
ASP55O312[O], 1[C],
ILE56N111[O],
ILE56O111[O],
ILE56CA412[O], 2[C],
ILE56C111[O],
ILE56CG21114[O], 7[C],
ILE56CB413[C], 1[O],
GLY84C312[O], 1[C],
GLY84O212[O],
GLY84CA312[O], 1[C],
GLY85N312[O], 1[C],
GLY85C312[O], 1[C],
GLY85CA412[O], 2[C],
GLY86N312[O], 1[C],
GLY86CA111[O],
SER105OG312[O], 1[C],
SER105CB111[O],
ASN107CA211[O], 1[C],
ASN107CG614[C], 2[O],
ASN107OD1512[O], 3[C],
ASN107N111[O],
ASN107CB612[O], 4[C],
ASN107ND2917[C], 2[O],
SER108OG211[O], 1[C],
SER108N111[O],
ALA132O211[O], 1[C],
ALA132N111[O],
ALA132CB813[O], 5[C],
ALA132CA211[C], 1[O],
ALA132C311[O], 2[C],
ILE133O615[C], 1[O],
ILE133C511[O], 4[C],
ILE133N211[O], 1[C],
ASP134CB912[O], 7[C],
ASP134N716[C], 1[O],
ASP134C313[C],
ASP134OD1717[C],
ASP134OD21012[O], 8[C],
ASP134CG912[O], 7[C],
ASP134O212[C],
ASP134CA811[O], 7[C],
ALA135N111[C],
LYS136CE212[C],
PHE146C212[C],
PHE146O212[C],
PHE146CB111[C],
THR147O212[C],
THR147C212[C],
THR147CA212[C],
HIS148C611[O], 5[C],
HIS148O511[O], 4[C],
HIS148N311[O], 2[C],
HIS148CA312[C], 1[O],
GLY149O817[C], 1[O],
GLY149N912[O], 7[C],
GLY149CA912[O], 7[C],
GLY149C912[O], 7[C],
GLY150N817[C], 1[O],
GLY150CA616[C],
GLY150O212[C],
GLY150C313[C],
ARG151N313[C],
LEU174CB212[O],
LEU174O212[O],
LEU174CD21117[C], 4[O],
LEU174CG613[C], 3[O],
LEU174CD1714[C], 3[O],
ILE175C212[O],
ILE175O311[C], 2[O],
THR176N1017[C], 3[O],
THR176OG11816[O], 12[C],
THR176C912[O], 7[C],
THR176CA1513[O], 12[C],
THR176CG21816[O], 12[C],
THR176O816[C], 2[O],
THR176CB17112[C], 5[O],
SER177N715[C], 2[O],
SER177CA411[O], 3[C],
SER177C615[C], 1[O],
SER177O914[O], 5[C],
MET178CA912[O], 7[C],
MET178CE616[C],
MET178CB717[C],
MET178CG818[C],
MET178SD616[C],
MET178N812[O], 6[C],
MET178C611[O], 5[C],
MET178O812[O], 6[C],
GLY179N313[C],
GLY179CA111[C],
ALA180N111[O],
ALA180C811[P], 2[C], 5[O],
ALA180CA311[P], 2[O],
ALA180CB212[O],
ALA180O815[O], 2[C], 1[P],
ASP181OD119111[C], 1[P], 7[O],
ASP181O1316[C], 1[P], 6[O],
ASP181CG2118[O], 12[C], 1[P],
ASP181N1215[O], 1[P], 6[C],
ASP181CA1617[O], 8[C], 1[P],
ASP181CB1917[O], 1[P], 11[C],
ASP181C1517[O], 1[P], 7[C],
ASP181OD22219[O], 1[P], 12[C],
GLY182O514[O], 1[P],
GLY182C611[P], 1[C], 4[O],
GLY182CA1111[P], 4[C], 6[O],
GLY182N1416[C], 1[P], 7[O],
THR183C413[O], 1[P],
THR183O111[O],
THR183CG2111[O],
THR183N511[P], 4[O],
THR183CA312[O], 1[P],
THR183CB111[O],
THR183OG1211[O], 1[P],
LYS184CD311[P], 2[O],
LYS184C111[O],
LYS184CB413[O], 1[P],
LYS184N514[O], 1[P],
LYS184CE413[O], 1[P],
LYS184CG411[P], 3[O],
LYS184CA411[P], 3[O],
LYS184NZ111[O],
ALA185N111[O],
GLY186N111[O],
GLY186C111[O],
GLY186O111[O],
TYR187CZ614[O], 1[C], 1[P],
TYR187CE2212[O],
TYR187CD1611[C], 1[P], 4[O],
TYR187CA111[O],
TYR187CE1712[C], 1[P], 4[O],
TYR187N111[O],
TYR187CD2111[O],
TYR187CG212[O],
ALA205C312[C], 1[O],
ALA205CA111[O],
ALA205O512[C], 3[O],
SER206C1416[C], 1[P], 7[O],
SER206CB1511[P], 7[C], 7[O],
SER206CA1216[O], 1[P], 5[C],
SER206OG2018[O], 1[P], 11[C],
SER206N915[O], 1[P], 3[C],
SER206O1518[C], 1[P], 6[O],
GLY207N1416[C], 1[P], 7[O],
GLY207C1214[C], 1[P], 7[O],
GLY207CA1411[P], 6[C], 7[O],
GLY207O911[P], 3[C], 5[O],
GLY208CA811[P], 2[C], 5[O],
GLY208C711[C], 1[P], 5[O],
GLY208N1016[O], 3[C], 1[P],
GLY208O514[O], 1[P],
VAL209C611[P], 1[C], 4[O],
VAL209CB611[C], 1[P], 4[O],
VAL209CG2413[O], 1[P],
VAL209O611[C], 1[P], 4[O],
VAL209CG1815[O], 2[C], 1[P],
VAL209CA611[C], 1[P], 4[O],
VAL209N812[C], 1[P], 5[O],
GLY210CA212[O],
GLY210N411[P], 3[O],
VAL227CG1111[O],
LEU228N412[O], 2[C],
LEU228CG1011[P], 4[C], 5[O],
LEU228CD21411[P], 5[C], 8[O],
LEU228O1111[P], 3[C], 7[O],
LEU228CB1015[O], 4[C], 1[P],
LEU228CD11116[O], 5[C],
LEU228CA813[C], 1[P], 4[O],
LEU228C1117[O], 1[P], 3[C],
ALA229CB1016[O], 1[P], 3[C],
ALA229O1013[C], 1[P], 6[O],
ALA229N1016[O], 3[C], 1[P],
ALA229CA1116[O], 1[P], 4[C],
ALA229C1211[P], 4[C], 7[O],
ALA230CB1317[O], 5[C], 1[P],
ALA230C1016[O], 1[P], 3[C],
ALA230N1211[P], 4[C], 7[O],
ALA230O815[O], 2[C], 1[P],
ALA230CA1217[O], 4[C], 1[P],
SER231N1011[P], 3[C], 6[O],
SER231CA915[O], 1[P], 3[C],
SER231C611[C], 1[P], 4[O],
SER231O413[O], 1[P],
SER231CB815[O], 1[P], 2[C],
SER231OG915[O], 1[P], 3[C],
ILE232CB411[P], 3[O],
ILE232C212[O],
ILE232CD1211[P], 1[O],
ILE232CG1413[O], 1[P],
ILE232CG2413[O], 1[P],
ILE232N614[O], 1[C], 1[P],
ILE232CA411[P], 3[O],
PHE233CG111[O],
PHE233CD2111[O],
PHE233N312[O], 1[P],
PHE233CB111[O],
PHE233CE2111[O],
HIS234CB111[O],
HIS234ND1111[O],
HIS234N212[O],
PHE235CD2111[O],
PHE235CZ111[O],
PHE235CE2111[O],
Total = 233



Download csv file of statistical distribution of contacts