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 :C7_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 C7_S1
Complex: AMO_E_5(1C0A) / Model_41(1C0A/A) = [8.6] Download920.0812.03MMRTHYCGSLTEAQIDQTVTLCGWVHRRRDHGGVIFLDMRDRDGLVQVVIDPDTPEAFATADKARSEYVLKITGRVRRRYEGTENPNMVSGQIEVLGKEIEVLAASETPPFPLNDDTINVSEEHRLKYRFLDIRRPEMLDRLRFRSKVTNLIRNYLDDHGFLDVETPILTRATPEGARDYLVPSRVQNGSFYALPQSPQLFKQLLMVGGIDRYYQIAKCFRDEDLRADRQPEFTQIDIETSFLNDDDIMDLMEGMTVKLFNDLLGVKFEKFRRMPYSEAMRDYASDKPDLRIPLKLVDVADLMQEVEFKVFAGPAKDPKGRIAALRVPGAGSLTRSQIDEYTKFVGIYGAKGLAYIKVNEIEKGIEGLQSPIVKFIEPIVMQLLERVGAENGDIVFFGADKAKIVNDAMGALRVKIGHDLNLATCEWAPLWVVDFPMFEEADDGKWTSVHHPFTLPKSSVEDVKSNPGEALSVAYDMVLNGTEVGGGSLRIYTLEMQKAIFEALGISDEEAEEKFSFLLNALRYGAPPHGGLAFGLDRLVMLMTGATSIRDVIAFPKTKTAECPLTQAPAPVEANQLRDLGIRLREQQKKEA
Complex: ASP_A_3(5W25) / Model_11(5W25/A) = [3.5] Download13584.3025.82MMRTHYCGSLTEAQIDQTVTLCGWVHRRRDHGGVIFLDMRDRDGLVQVVIDPDTPEAFATADKARSEYVLKITGRVRRRYEGTENPNMVSGQIEVLGKEIEVLAASETPPFPLNDDTINVSEEHRLKYRFLDIRRPEMLDRLRFRSKVTNLIRNYLDDHGFLDVETPILTRATPEGARDYLVPSRVQNGSFYALPQSPQLFKQLLMVGGIDRYYQIAKCFRDEDLRADRQPEFTQIDIETSFLNDDDIMDLMEGMTVKLFNDLLGVKFEKFRRMPYSEAMRDYASDKPDLRIPLKLVDVADLMQEVEFKVFAGPAKDPKGRIAALRVPGAGSLTRSQIDEYTKFVGIYGAKGLAYIKVNEIEKGIEGLQSPIVKFIEPIVMQLLERVGAENGDIVFFGADKAKIVNDAMGALRVKIGHDLNLATCEWAPLWVVDFPMFEEADDGKWTSVHHPFTLPKSSVEDVKSNPGEALSVAYDMVLNGTEVGGGSLRIYTLEMQKAIFEALGISDEEAEEKFSFLLNALRYGAPPHGGLAFGLDRLVMLMTGATSIRDVIAFPKTKTAECPLTQAPAPVEANQLRDLGIRLREQQKKEA
Consensus
[pKd Mean = 6.05]		-7252
(s=6332)		18
(s=6)		MMRTHYCGSLTEAQIDQTVTLCGWVHRRRDHGGVIFLDMRDRDGLVQVVIDPDTPEAFATADKARSEYVLKITGRVRRRYEGTENPNMVSGQIEVLGKEIEVLAASETPPFPLNDDTINVSEEHRLKYRFLDIRRPEMLDRLRFRSKVTNLIRNYLDDHGFLDVETPILTRATPEGARDYLVPSRVQNGSFYALPQSPQLFKQLLMVGGIDRYYQIAKCFRDEDLRADRQPEFTQIDIETSFLNDDDIMDLMEGMTVKLFNDLLGVKFEKFRRMPYSEAMRDYASDKPDLRIPLKLVDVADLMQEVEFKVFAGPAKDPKGRIAALRVPGAGSLTRSQIDEYTKFVGIYGAKGLAYIKVNEIEKGIEGLQSPIVKFIEPIVMQLLERVGAENGDIVFFGADKAKIVNDAMGALRVKIGHDLNLATCEWAPLWVVDFPMFEEADDGKWTSVHHPFTLPKSSVEDVKSNPGEALSVAYDMVLNGTEVGGGSLRIYTLEMQKAIFEALGISDEEAEEKFSFLLNALRYGAPPHGGLAFGLDRLVMLMTGATSIRDVIAFPKTKTAECPLTQAPAPVEANQLRDLGIRLREQQKKEA



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]
THR173CG2321[N], 1[O], 1[C],
THR173CB121[N],
PRO174O522[C], 2[O], 1[N],
PRO174C421[N], 1[O], 2[C],
GLU175O521[N], 2[O], 2[C],
GLU175C521[N], 2[O], 2[C],
GLU175OE1924[C], 4[O], 1[N],
GLU175CB623[C], 2[O], 1[N],
GLU175CD921[N], 4[O], 4[C],
GLU175N521[N], 2[O], 2[C],
GLU175CG824[C], 3[O], 1[N],
GLU175CA521[N], 2[O], 2[C],
GLU175OE2924[C], 4[O], 1[N],
ALA177CB321[O], 2[N],
GLN196OE1423[O], 1[C],
GLN196O2229[C], 1[P], 7[O], 5[N],
GLN196CA622[C], 2[O], 2[N],
GLN196CB722[C], 3[O], 2[N],
GLN196CG121[O],
GLN196C1423[N], 1[P], 6[O], 4[C],
GLN196N222[O],
SER197CB2322[N], 1[P], 11[O], 9[C],
SER197CA1627[C], 1[P], 2[N], 6[O],
SER197O822[N], 2[O], 4[C],
SER197C1122[N], 3[O], 6[C],
SER197OG2322[N], 1[P], 11[O], 9[C],
SER197N1222[N], 6[O], 4[C],
PRO198CB321[O], 2[N],
PRO198C1327[C], 4[O], 2[N],
PRO198CG622[C], 2[O], 2[N],
PRO198N1022[N], 2[O], 6[C],
PRO198CD1322[N], 4[O], 7[C],
PRO198CA521[C], 2[O], 2[N],
PRO198O321[O], 2[N],
GLN199CA1728[C], 7[O], 2[N],
GLN199O1024[C], 4[O], 2[N],
GLN199OE12029[O], 1[P], 2[N], 8[C],
GLN199CB1822[N], 8[O], 8[C],
GLN199C1225[C], 5[O], 2[N],
GLN199CD1828[C], 8[O], 2[N],
GLN199CG1822[N], 8[O], 8[C],
GLN199N1722[N], 7[O], 8[C],
GLN199NE21722[N], 7[O], 8[C],
LEU200N222[N],
LEU200CA121[N],
LYS202CE1728[C], 7[O], 2[N],
LYS202NZ1828[C], 8[O], 2[N],
LYS202CB321[N], 2[O],
LYS202CG1024[C], 4[O], 2[N],
LYS202CD1427[C], 5[O], 2[N],
GLN203CD121[O],
GLN203CG322[O], 1[N],
GLN203NE2221[O], 1[N],
GLN203OE1421[N], 2[O], 1[C],
TYR213CE1121[O],
CYS219SG21210[C], 1[P], 6[O], 4[N],
CYS219CB19210[C], 5[N], 4[O],
CYS219CA421[C], 1[N], 2[O],
CYS219C523[N], 2[C],
CYS219O724[C], 3[N],
PHE220CA121[N],
PHE220N221[C], 1[N],
PHE220C221[C], 1[N],
PHE220O121[N],
ARG221CA422[C], 2[N],
ARG221CD2227[O], 5[N], 1[P], 9[C],
ARG221CZ33216[C], 1[P], 9[O], 7[N],
ARG221O523[N], 2[C],
ARG221CG1224[C], 4[N], 4[O],
ARG221CB723[N], 4[C],
ARG221NE2927[N], 1[P], 8[O], 13[C],
ARG221C221[N], 1[C],
ARG221N522[C], 3[N],
ASP222N121[N],
GLU223N121[N],
GLU223CB221[C], 1[N],
GLU223CA121[N],
GLU223CG221[C], 1[N],
GLU223O121[N],
GLU223C121[N],
ASP224N121[N],
ASP224O322[N], 1[C],
ASP224C121[N],
LEU225CD2222[N],
LEU225C121[N],
LEU225CG321[C], 2[N],
LEU225N121[N],
LEU225CA321[C], 2[N],
LEU225CB222[N],
ARG226N321[C], 2[N],
ARG226C121[N],
ARG226O422[C], 2[N],
ARG226CB121[N],
ALA227C221[C], 1[N],
ALA227O221[N], 1[C],
ASP228OD1924[C], 5[N],
ASP228N422[C], 2[N],
ASP228O1528[C], 5[N], 2[O],
ASP228CB824[C], 1[O], 3[N],
ASP228OD2923[N], 1[O], 5[C],
ASP228C1327[C], 1[O], 5[N],
ASP228CA724[C], 3[N],
ASP228CG1025[C], 1[O], 4[N],
ARG229CD1225[C], 2[O], 5[N],
ARG229CB1025[N], 5[C],
ARG229NE1222[O], 5[N], 5[C],
ARG229N1025[N], 5[C],
ARG229CZ822[O], 3[N], 3[C],
ARG229O724[C], 3[N],
ARG229CG1227[C], 5[N],
ARG229C1025[C], 5[N],
ARG229CA1126[C], 5[N],
GLN230CG723[N], 4[C],
GLN230CB724[C], 3[N],
GLN230O1025[C], 5[N],
GLN230CD422[C], 2[N],
GLN230OE1221[N], 1[C],
GLN230NE2221[C], 1[N],
GLN230C1025[N], 5[C],
GLN230CA824[N], 4[C],
GLN230N1025[N], 5[C],
PRO231N824[C], 4[N],
PRO231CB322[N], 1[C],
PRO231CA623[N], 3[C],
PRO231CD422[C], 2[N],
PRO231C623[C], 3[N],
PRO231O623[C], 3[N],
PRO231CG222[N],
GLU232N523[C], 2[N],
GLU232C824[C], 4[N],
GLU232CA523[C], 2[N],
GLU232O723[N], 4[C],
PHE233CD11722[O], 5[N], 10[C],
PHE233CG18210[C], 5[N], 3[O],
PHE233CD22421[P], 5[N], 8[O], 10[C],
PHE233C1221[O], 5[N], 6[C],
PHE233N1025[C], 5[N],
PHE233CB1421[O], 5[N], 8[C],
PHE233CE22821[P], 5[N], 10[O], 12[C],
PHE233CE12321[P], 5[N], 6[O], 11[C],
PHE233CZ2821[P], 5[N], 10[O], 12[C],
PHE233O1226[C], 5[N], 1[O],
PHE233CA1221[O], 5[N], 6[C],
THR234CA821[O], 3[N], 4[C],
THR234O17210[C], 4[N], 3[O],
THR234N1226[C], 5[N], 1[O],
THR234CB121[N],
THR234C1423[O], 3[N], 8[C],
GLN235O121[O],
GLN235CB2628[O], 1[P], 4[N], 13[C],
GLN235N1022[O], 2[N], 6[C],
GLN235CG32216[C], 1[P], 10[O], 5[N],
GLN235C421[O], 3[C],
GLN235NE237217[C], 1[P], 14[O], 5[N],
GLN235CA1425[O], 2[N], 7[C],
GLN235OE12923[N], 1[P], 12[O], 13[C],
GLN235CD36214[O], 1[P], 5[N], 16[C],
ILE236CA221[C], 1[O],
ILE236C523[C], 2[O],
ILE236O926[C], 3[O],
ILE236N523[C], 2[O],
ASP237CG1829[C], 7[O], 2[N],
ASP237CB1122[N], 3[O], 6[C],
ASP237OD12129[O], 1[P], 2[N], 9[C],
ASP237OD21628[C], 6[O], 2[N],
ASP237O121[O],
ASP237N422[O], 2[C],
ASP237CA1123[O], 1[N], 7[C],
ASP237C422[C], 2[O],
ILE238CG1121[O],
ILE238N925[C], 1[N], 3[O],
ILE238C623[C], 3[O],
ILE238CA422[C], 2[O],
ILE238CB322[O], 1[C],
ILE238CG2322[O], 1[C],
ILE238O1122[N], 4[O], 5[C],
GLU239CG322[O], 1[C],
GLU239N322[O], 1[C],
GLU239CD823[C], 1[N], 4[O],
GLU239CA322[O], 1[C],
GLU239C121[O],
GLU239CB322[O], 1[C],
GLU239OE2622[C], 4[O],
GLU239OE11125[C], 4[O], 2[N],
ILE248CG2222[O],
VAL449O121[O],
HIS450CA1421[N], 1[P], 6[O], 6[C],
HIS450CB1822[N], 1[P], 7[O], 8[C],
HIS450CE126211[C], 1[P], 12[O], 2[N],
HIS450ND125210[C], 1[P], 2[N], 12[O],
HIS450O1928[C], 1[P], 8[O], 2[N],
HIS450CG2228[C], 1[P], 2[N], 11[O],
HIS450NE22329[C], 1[P], 2[N], 11[O],
HIS450C1928[O], 1[P], 2[N], 8[C],
HIS450CD22228[C], 1[P], 11[O], 2[N],
HIS450N121[O],
HIS451CA1226[C], 4[O], 2[N],
HIS451ND11828[C], 8[O], 2[N],
HIS451N1322[N], 5[O], 6[C],
HIS451CG21210[O], 1[P], 2[N], 8[C],
HIS451O222[O],
HIS451CD22122[N], 1[P], 10[O], 8[C],
HIS451C321[N], 2[O],
HIS451NE22122[N], 1[P], 10[O], 8[C],
HIS451CE11822[N], 8[O], 8[C],
HIS451CB1828[C], 8[O], 2[N],
PHE453C222[O],
PHE453CE2222[N],
PHE453CB222[O],
PHE453O222[O],
PHE453CD2521[C], 2[O], 2[N],
THR454CG2222[O],
THR454CB222[O],
THR454CA222[O],
THR454N222[O],
THR454OG11021[N], 4[O], 5[C],
ALA474CB222[O],
ALA474CA121[O],
TYR475CD1222[O],
TYR475N121[O],
TYR475CE2422[O], 2[C],
TYR475CD2321[C], 2[O],
TYR475C121[O],
TYR475O1024[C], 6[O],
TYR475CE1521[C], 4[O],
TYR475CZ622[C], 4[O],
ASP476OD11425[C], 1[P], 8[O],
ASP476CG523[O], 1[P], 1[C],
ASP476CA222[O],
ASP476CB322[O], 1[C],
ASP476N222[O],
ASP476OD2521[C], 3[O], 1[P],
ASP476C121[O],
MET477CA121[O],
MET477C222[O],
MET477O523[C], 2[O],
MET477CB121[O],
MET477N321[C], 2[O],
VAL478N121[O],
THR482O321[C], 2[O],
THR482CB121[O],
THR482CG2523[C], 2[O],
THR482C422[C], 2[O],
THR482CA121[O],
GLU483CB1326[C], 1[N], 1[P], 5[O],
GLU483CG1526[O], 1[N], 1[P], 7[C],
GLU483O1821[P], 3[N], 5[O], 9[C],
GLU483C1427[C], 2[N], 5[O],
GLU483CD1928[C], 2[N], 8[O], 1[P],
GLU483CA824[C], 1[N], 3[O],
GLU483N523[C], 2[O],
GLU483OE22429[O], 3[N], 1[P], 11[C],
GLU483OE11928[O], 2[N], 1[P], 8[C],
VAL484C1527[C], 2[N], 5[O], 1[P],
VAL484N1024[O], 1[N], 5[C],
VAL484CG2522[O], 3[C],
VAL484CB723[O], 4[C],
VAL484CA1325[O], 2[N], 6[C],
VAL484CG1522[O], 3[C],
VAL484O1525[O], 2[N], 1[P], 7[C],
GLY485O1628[O], 1[P], 7[C],
GLY485C25212[C], 1[N], 11[O], 1[P],
GLY485CA1921[P], 1[N], 8[O], 9[C],
GLY485N1321[P], 1[N], 5[O], 6[C],
GLY486C27213[O], 1[P], 2[N], 11[C],
GLY486N29213[C], 1[N], 14[O], 1[P],
GLY486CA2922[N], 1[P], 14[O], 12[C],
GLY486O28213[O], 1[P], 2[N], 12[C],
GLY487N25211[C], 1[P], 2[N], 11[O],
GLY487C1622[N], 7[O], 7[C],
GLY487O1226[C], 6[O],
GLY487CA2229[C], 1[P], 2[N], 10[O],
SER488O824[O], 4[C],
SER488N1422[N], 6[O], 6[C],
SER488CB925[C], 4[O],
SER488CA824[C], 4[O],
SER488OG1222[N], 4[O], 6[C],
SER488C724[O], 3[C],
LEU489C121[O],
LEU489O121[O],
LEU489N521[C], 4[O],
LEU489CA121[O],
ARG490N121[O],
ARG490CZ1528[C], 5[O], 2[N],
ARG490NE1222[N], 4[O], 6[C],
ARG490CD1125[C], 4[O], 2[N],
ARG490CG622[C], 4[O],
GLY530CA423[O], 1[C],
GLY530C624[O], 2[C],
GLY530O321[C], 2[O],
GLY531CA925[C], 4[O],
GLY531C1226[C], 4[O], 2[N],
GLY531N824[O], 4[C],
GLY531O1124[O], 1[N], 6[C],
LEU532O1829[C], 7[O], 2[N],
LEU532CD1924[C], 5[O],
LEU532CG1527[O], 8[C],
LEU532CA2022[N], 1[P], 8[O], 9[C],
LEU532N1427[C], 5[O], 2[N],
LEU532CD21226[C], 6[O],
LEU532C23210[O], 1[P], 2[N], 10[C],
LEU532CB1327[C], 6[O],
ALA533C3223[N], 1[P], 14[O], 14[C],
ALA533N27213[O], 1[P], 2[N], 11[C],
ALA533O32214[C], 1[P], 14[O], 3[N],
ALA533CB3223[N], 1[P], 14[O], 14[C],
ALA533CA3022[N], 1[P], 14[O], 13[C],
PHE534C2228[O], 2[N], 1[P], 11[C],
PHE534CG825[C], 3[O],
PHE534O2227[O], 3[N], 1[P], 11[C],
PHE534CD2222[C],
PHE534CD1723[O], 4[C],
PHE534CA1829[C], 1[N], 1[P], 7[O],
PHE534CB925[C], 4[O],
PHE534CE1321[C], 2[O],
PHE534N2621[P], 1[N], 11[O], 13[C],
GLY535N1929[C], 3[N], 1[P], 6[O],
GLY535C1629[C], 3[N], 4[O],
GLY535CA20210[C], 4[N], 5[O], 1[P],
GLY535O1328[C], 2[N], 3[O],
LEU536N1328[C], 2[N], 3[O],
LEU536C522[O], 1[N], 2[C],
LEU536CB121[O],
LEU536CA722[O], 1[N], 4[C],
LEU536O221[O], 1[N],
ASP537OD1522[N], 3[C],
ASP537CB1122[O], 3[N], 6[C],
ASP537O221[C], 1[N],
ASP537OD21522[O], 5[N], 8[C],
ASP537C823[N], 1[O], 4[C],
ASP537N922[O], 3[N], 4[C],
ASP537CG925[C], 3[N], 1[O],
ASP537CA823[C], 3[N], 2[O],
ARG538N1227[C], 3[N], 2[O],
ARG538C523[C], 1[O], 1[N],
ARG538CA922[O], 3[N], 4[C],
ARG538CZ1924[O], 5[N], 10[C],
ARG538CG1623[O], 4[N], 9[C],
ARG538CD1823[O], 5[N], 10[C],
ARG538NE1823[O], 5[N], 10[C],
ARG538CB1523[O], 3[N], 9[C],
ARG538O121[O],
LEU539CD1121[O],
LEU539CG121[O],
LEU539CA121[O],
LEU539CB121[O],
LEU539CD2121[O],
LEU539N422[C], 1[O], 1[N],
MET541SD321[C], 2[N],
ILE549CB523[C], 2[N],
ILE549CG2422[N], 2[C],
ILE549CA221[C], 1[N],
ILE549CG1723[N], 4[C],
ILE549CD11126[C], 5[N],
ILE553CG1121[C],
ILE553CD1321[C], 2[N],
Total = 356



Download csv file of statistical distribution of contacts