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 :C4_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 C4_S1
Complex: UD1_A_2(3S2U) / Model_1(3S2U/A) = [8.4] Download1250.6218.73MTDSQQSKPKHVMMMAAGTGGHVFPALAVAKQLQQQGCQVSWLATPIGMENRLLKDQNIPIYQIDIQGVRGNGVIRKLAAPFKILKATFSAMRYMKQLKVDAVAGFGGYVAGPGGLAARLLGIPVLIHEQNAVAGFTNAQLSRVAKVVCEAFPNTFPASEKVVTTGNPVRREITDILSPKWRYDEREQAGKPLNILIVGGSLGAKALNERLPPALKQLQVPLNIFHQCGQQQVEATQALYADAPANLTVQVLPFIEDMAKAYSEADLIICRAGALTVTEVATAGVAAVFVPLPIAVDDHQTANAKFLADVGAAKICQQSTMTPEVLNQLFTTLMNRQLLTEMAVKARQHAQPNATQHVVGLIQKM
Complex: UD2_C_3(1NLM) / Model_3(1NLM/A) = [6.3] Download1305.5621.19MTDSQQSKPKHVMMMAAGTGGHVFPALAVAKQLQQQGCQVSWLATPIGMENRLLKDQNIPIYQIDIQGVRGNGVIRKLAAPFKILKATFSAMRYMKQLKVDAVAGFGGYVAGPGGLAARLLGIPVLIHEQNAVAGFTNAQLSRVAKVVCEAFPNTFPASEKVVTTGNPVRREITDILSPKWRYDEREQAGKPLNILIVGGSLGAKALNERLPPALKQLQVPLNIFHQCGQQQVEATQALYADAPANLTVQVLPFIEDMAKAYSEADLIICRAGALTVTEVATAGVAAVFVPLPIAVDDHQTANAKFLADVGAAKICQQSTMTPEVLNQLFTTLMNRQLLTEMAVKARQHAQPNATQHVVGLIQKM
Consensus
[pKd Mean = 7.35]		-1278
(s=27)		19
(s=1)		MTDSQQSKPKHVMMMAAGTGGHVFPALAVAKQLQQQGCQVSWLATPIGMENRLLKDQNIPIYQIDIQGVRGNGVIRKLAAPFKILKATFSAMRYMKQLKVDAVAGFGGYVAGPGGLAARLLGIPVLIHEQNAVAGFTNAQLSRVAKVVCEAFPNTFPASEKVVTTGNPVRREITDILSPKWRYDEREQAGKPLNILIVGGSLGAKALNERLPPALKQLQVPLNIFHQCGQQQVEATQALYADAPANLTVQVLPFIEDMAKAYSEADLIICRAGALTVTEVATAGVAAVFVPLPIAVDDHQTANAKFLADVGAAKICQQSTMTPEVLNQLFTTLMNRQLLTEMAVKARQHAQPNATQHVVGLIQKM



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]
ALA17O421[C], 3[O],
GLY18C521[P], 3[O], 1[C],
GLY18CA222[O],
GLY18O521[C], 3[O], 1[P],
THR19CA2421[N], 8[C], 13[O], 2[P],
THR19N1321[N], 4[C], 7[O], 1[P],
THR19O2122[P], 11[O], 8[C],
THR19C27210[C], 14[O], 2[P], 1[N],
THR19CB3721[N], 15[C], 18[O], 3[P],
THR19OG13521[N], 15[C], 17[O], 2[P],
THR19CG232214[C], 15[O], 2[P], 1[N],
GLY20CA35213[C], 17[O], 3[P], 2[N],
GLY20N35214[C], 17[O], 2[P], 2[N],
GLY20O38214[C], 20[O], 3[P], 1[N],
GLY20C4124[P], 20[O], 16[C], 1[N],
GLY21C3623[P], 19[O], 14[C],
GLY21CA4822[N], 20[C], 22[O], 4[P],
GLY21N47219[C], 22[O], 4[P], 2[N],
GLY21O31211[C], 17[O], 3[P],
HIS22CA1422[P], 6[O], 6[C],
HIS22ND11326[C], 7[O],
HIS22CG1526[C], 8[O], 1[P],
HIS22C922[C], 7[O],
HIS22O121[O],
HIS22N2722[P], 15[O], 10[C],
HIS22CE11527[C], 7[O], 1[P],
HIS22CD22122[P], 11[O], 7[C], 1[N],
HIS22NE22028[C], 10[O], 1[P], 1[N],
HIS22CB1021[P], 5[O], 4[C],
VAL23O121[O],
VAL23CA421[C], 3[O],
VAL23N1022[C], 8[O],
VAL23C422[C], 2[O],
VAL23CG2121[O],
VAL23CB321[C], 2[O],
PHE24CA1125[C], 5[O], 1[N],
PHE24CG2128[O], 11[C], 2[N],
PHE24CE22822[N], 14[C], 12[O],
PHE24C824[O], 4[C],
PHE24CZ2228[O], 12[C], 2[N],
PHE24CD11622[N], 8[C], 6[O],
PHE24CB1822[N], 9[C], 6[O], 1[P],
PHE24CD23423[P], 15[O], 14[C], 2[N],
PHE24CE11625[O], 9[C], 2[N],
PHE24N1125[C], 6[O],
PHE24O322[C], 1[O],
PRO25CG825[O], 3[C],
PRO25CD1021[P], 6[O], 3[C],
PRO25N522[C], 3[O],
PRO25CB121[O],
PRO25CA121[O],
LEU27CD1121[O],
LEU53CD1822[N], 3[O], 3[C],
LEU53CG221[O], 1[C],
LEU53CD2321[C], 1[O], 1[N],
PHE106O221[C], 1[O],
PHE106C121[O],
GLY107CA221[O], 1[C],
GLY107O121[O],
GLY107N121[O],
GLY107C221[O], 1[C],
GLY108CA221[C], 1[O],
GLY108N221[C], 1[O],
HIS128O121[O],
GLU129CA121[O],
GLU129C121[O],
GLU129OE1221[O], 1[C],
GLU129OE2723[O], 4[C],
GLU129CG121[O],
GLU129CD221[O], 1[C],
GLN130CB1426[C], 7[O], 1[P],
GLN130O1125[O], 6[C],
GLN130C1125[O], 6[C],
GLN130CG1121[P], 6[O], 4[C],
GLN130OE11126[O], 5[C],
GLN130CD825[O], 3[C],
GLN130N623[C], 3[O],
GLN130CA924[C], 5[O],
GLN130NE2221[O], 1[C],
ASN131ND234213[C], 16[O], 3[P], 2[N],
ASN131CA1327[C], 6[O],
ASN131N1126[C], 5[O],
ASN131O121[O],
ASN131CG23211[O], 12[C],
ASN131C323[O],
ASN131OD123212[C], 11[O],
ASN131CB1729[O], 8[C],
ALA132N222[O],
VAL133O121[O],
ASN138ND2121[O],
PHE152CE2121[O],
PHE152CE1121[O],
PHE152CZ121[O],
ASN167OD1323[O],
ASN167CG322[O], 1[C],
ASN167ND2625[O], 1[C],
PRO168O222[O],
VAL169CA222[O],
VAL169CG1524[O], 1[C],
VAL169CB121[O],
VAL169CG2121[O],
VAL169C121[O],
ARG170N421[C], 3[O],
ARG170CA222[O],
ARG170CZ30218[C], 8[O], 4[N],
ARG170NE2328[O], 11[C], 4[N],
ARG170CD2022[N], 11[C], 7[O],
ARG170CB723[C], 4[O],
ARG170CG1227[O], 5[C],
GLU172OE1121[O],
ILE173CG2624[O], 2[C],
ILE173CB222[O],
ILE173CD1823[C], 5[O],
ILE173CG1624[O], 2[C],
LEU196CD1121[O],
ILE197C221[C], 1[O],
ILE197O422[O], 2[C],
VAL198C822[O], 6[C],
VAL198CB1925[O], 11[C], 3[N],
VAL198CA1022[N], 6[C], 2[O],
VAL198CG21924[N], 4[O], 11[C],
VAL198CG13624[N], 18[C], 13[O], 1[P],
VAL198O524[C], 1[O],
VAL198N321[O], 2[C],
GLY199N1226[C], 3[O], 3[N],
GLY199C2528[C], 11[O], 3[P], 3[N],
GLY199O2022[N], 3[P], 8[O], 7[C],
GLY199CA1326[C], 6[O], 1[P],
GLY200O4424[N], 17[C], 19[O], 4[P],
GLY200C5426[N], 22[C], 22[O], 4[P],
GLY200CA5724[P], 21[O], 26[C], 6[N],
GLY200N45219[C], 17[O], 4[P], 5[N],
SER201O3422[P], 14[O], 14[C], 4[N],
SER201CB61225[C], 27[O], 4[P], 5[N],
SER201OG5826[N], 4[P], 25[O], 23[C],
SER201N6026[N], 24[C], 26[O], 4[P],
SER201CA57223[C], 25[O], 4[P], 5[N],
SER201C44219[C], 16[O], 4[P], 5[N],
LEU202N4325[N], 4[P], 16[O], 18[C],
LEU202CB2027[C], 9[O], 2[P], 2[N],
LEU202C1123[O], 2[P], 6[C],
LEU202CD12122[N], 8[C], 9[O], 2[P],
LEU202CG2022[P], 9[O], 7[C], 2[N],
LEU202O222[O],
LEU202CD21221[N], 2[P], 6[O], 3[C],
LEU202CA1921[N], 2[P], 9[O], 7[C],
GLY203O121[O],
GLY203N1427[C], 5[O], 2[P],
GLY203CA623[C], 3[O],
GLY203C321[C], 2[O],
ALA204N322[C], 1[O],
ALA204C121[C],
ALA204CA222[C],
ALA204CB322[C], 1[N],
HIS226C121[O],
HIS226O121[O],
GLN227O624[C], 2[O],
GLN227CB1424[N], 8[C], 2[O],
GLN227CG1628[C], 4[O], 4[N],
GLN227NE219210[C], 5[O], 4[N],
GLN227N422[O], 2[C],
GLN227CA724[C], 2[O], 1[N],
GLN227C624[C], 2[O],
GLN227CD2124[N], 6[O], 11[C],
GLN227OE125213[C], 8[O], 4[N],
CYS228CA121[O],
CYS228N322[O], 1[C],
CYS228O321[O], 2[C],
CYS228C222[O],
GLY229CA322[C], 1[O],
GLY229N322[C], 1[O],
LEU252CG121[O],
LEU252CA121[O],
LEU252O322[O], 1[C],
LEU252CB222[O],
LEU252CD1222[O],
LEU252C222[O],
PRO253O1022[N], 2[O], 6[C],
PRO253CA321[C], 2[O],
PRO253C824[C], 2[O], 2[N],
PRO253N222[O],
PRO253CB222[O],
PHE254CZ32210[O], 18[C], 4[N],
PHE254CB1628[C], 4[O], 4[N],
PHE254CE134218[C], 12[O], 4[N],
PHE254CD12424[N], 14[C], 6[O],
PHE254C1624[N], 8[C], 4[O],
PHE254CE22624[N], 8[O], 14[C],
PHE254CG2026[O], 10[C], 4[N],
PHE254N1022[O], 6[C], 2[N],
PHE254O1122[N], 3[O], 6[C],
PHE254CD22024[N], 10[C], 6[O],
PHE254CA1624[N], 4[O], 8[C],
ILE255CG11428[C], 3[O], 3[N],
ILE255CB1724[O], 9[C], 4[N],
ILE255CA1729[C], 4[O], 4[N],
ILE255C2024[N], 10[C], 6[O],
ILE255CD11423[O], 8[C], 3[N],
ILE255CG21624[N], 8[C], 4[O],
ILE255N1824[N], 10[C], 4[O],
ILE255O24212[C], 8[O], 4[N],
GLU256CG922[N], 3[C], 4[O],
GLU256CB1022[N], 4[O], 4[C],
GLU256CA1524[O], 7[C], 4[N],
GLU256O1525[C], 6[O], 4[N],
GLU256N1624[N], 8[C], 4[O],
GLU256CD121[N],
GLU256C1324[O], 5[C], 4[N],
ASP257C1223[N], 5[O], 4[C],
ASP257CA723[O], 2[C], 2[N],
ASP257O622[N], 3[O], 1[C],
ASP257N1022[N], 4[C], 4[O],
MET258C1323[N], 5[C], 5[O],
MET258O1223[N], 4[C], 5[O],
MET258CE2829[O], 15[C], 4[N],
MET258CA2326[O], 13[C], 4[N],
MET258CG3124[N], 10[O], 17[C],
MET258CB29210[O], 15[C], 4[N],
MET258N1826[O], 8[C], 4[N],
MET258SD3224[N], 10[O], 18[C],
ALA259N724[O], 2[C], 1[N],
ALA259CA121[O],
ALA261CB622[O], 2[C], 2[N],
TYR262CD1921[N], 4[C], 4[O],
TYR262CE21624[O], 10[C], 2[N],
TYR262CD2422[O], 2[C],
TYR262CZ2727[O], 16[C], 4[N],
TYR262CE11723[N], 9[C], 5[O],
TYR262CG321[C], 2[O],
CYS270SG121[O],
CYS270CB121[O],
ARG271C1823[P], 11[O], 2[C], 2[N],
ARG271CB2522[N], 8[C], 11[O], 4[P],
ARG271CZ421[O], 3[C],
ARG271O1523[P], 10[O], 2[C],
ARG271CD2128[C], 10[O], 1[P], 2[N],
ARG271CA821[N], 7[O],
ARG271CG2022[N], 2[P], 10[O], 6[C],
ARG271NE822[N], 3[C], 3[O],
ARG271N222[O],
ALA272C3822[N], 4[P], 19[O], 13[C],
ALA272O32212[C], 15[O], 3[P], 2[N],
ALA272CB822[C], 6[O],
ALA272N2326[C], 12[O], 3[P], 2[N],
ALA272CA2123[P], 11[O], 6[C], 1[N],
GLY273CA5122[N], 21[C], 24[O], 4[P],
GLY273O4622[N], 4[P], 22[O], 18[C],
GLY273N4522[N], 4[P], 22[O], 17[C],
GLY273C48219[C], 23[O], 4[P], 2[N],
ALA274O24210[C], 12[O], 2[P],
ALA274CB35213[C], 19[O], 3[P],
ALA274N4522[N], 17[C], 22[O], 4[P],
ALA274CA3824[P], 19[O], 15[C],
ALA274C4024[P], 20[O], 16[C],
LEU275CA4324[P], 24[O], 15[C],
LEU275CD14421[N], 4[P], 23[O], 16[C],
LEU275CG4324[P], 24[O], 15[C],
LEU275CD22622[P], 14[O], 10[C],
LEU275C37212[C], 20[O], 4[P], 1[N],
LEU275N4924[P], 25[O], 20[C],
LEU275O2722[P], 15[O], 10[C],
LEU275CB4621[N], 4[P], 25[O], 16[C],
THR276CA34212[C], 16[O], 4[P], 2[N],
THR276N4422[N], 15[C], 23[O], 4[P],
THR276O1928[C], 9[O], 2[P],
THR276CB43214[C], 23[O], 4[P], 2[N],
THR276C2322[P], 12[O], 9[C],
THR276OG153221[C], 26[O], 4[P], 2[N],
THR276CG23922[N], 16[C], 17[O], 4[P],
VAL277N2222[P], 12[O], 8[C],
VAL277CG2621[P], 5[O],
VAL277CA421[P], 3[O],
VAL277CB621[P], 5[O],
VAL277C222[O],
THR278OG1921[P], 4[O], 4[C],
THR278CB121[O],
THR278CA121[O],
THR278CG2121[O],
THR278N423[O], 1[P],
GLU279OE13523[N], 2[P], 14[O], 16[C],
GLU279CB18210[C], 8[O],
GLU279CD3223[N], 14[C], 13[O], 2[P],
GLU279OE23624[N], 16[C], 14[O], 2[P],
GLU279N1024[C], 6[O],
GLU279C222[O],
GLU279CG2422[N], 10[C], 11[O], 1[P],
GLU279CA824[O], 4[C],
VAL280N121[O],
PHE289CE2121[O],
PRO291CA121[O],
PRO291C121[O],
LEU292CA623[C], 2[O], 1[N],
LEU292C322[O], 1[C],
LEU292CD21321[N], 6[O], 6[C],
LEU292O322[O], 1[C],
LEU292CB1021[N], 3[O], 6[C],
LEU292CD1722[O], 4[C], 1[N],
LEU292CG721[N], 2[O], 4[C],
LEU292N522[C], 2[O], 1[N],
PRO293CD121[O],
PRO293N121[O],
PRO293C121[O],
PRO293O121[O],
PRO293CA121[O],
ILE294CG1121[O],
ILE294CD1422[O], 2[C],
ILE294CG2222[O],
ILE294CB121[O],
ASP298C121[O],
HIS299O824[C], 4[O],
HIS299CA824[O], 4[C],
HIS299CG1226[O], 6[C],
HIS299N323[O],
HIS299C924[C], 5[O],
HIS299CD2824[C], 4[O],
HIS299CB17210[C], 6[O], 1[N],
HIS299CE1222[O],
HIS299NE2422[O], 2[C],
HIS299ND11025[O], 5[C],
GLN300O521[C], 4[O],
GLN300C624[O], 2[C],
GLN300NE23222[N], 14[C], 14[O], 2[P],
GLN300CG3122[N], 15[C], 12[O], 2[P],
GLN300CB1822[N], 10[C], 6[O],
GLN300CA1421[N], 5[O], 8[C],
GLN300N1321[N], 5[O], 7[C],
GLN300CD4022[N], 4[P], 18[O], 16[C],
GLN300OE145216[C], 23[O], 4[P], 2[N],
THR301N222[O],
ASN303OD11225[O], 7[C],
ASN303ND231212[C], 16[O], 2[P], 1[N],
ASN303CG1728[C], 9[O],
ASN303CB925[C], 4[O],
ASN303CA222[O],
ASN303N121[O],
Total = 335



Download csv file of statistical distribution of contacts