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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: SSA_A_3(2DQ3) / Model_44(2DQ3/A) = [6.5] Download802.816.52MIMIDPKLLRNNIEVVNAALAKRGVQLDVQEWASLETRRKDLQSKTEKLQAERNAGAKQVGQIKKSGGDASEIMARMQAIGDEIKAAEVALSELQNEIEQKALSIPNLPDESVPAGKDENDNVEISKWGTPRQFDFEIKDHTDLGEWMGGLEFETATKLTGSRFSVLKGPLARLQRALTQFMLDTHTLKNGYTEAYVPYLVNADSLRGTGQLPKFEEDLFKLQGEKEYYLIPTAEVPVTNFVRDEIIDADRLPLKYAAHTPCFRSEAGSYGRDTRGLIRQHQFDKVEMVQIVKPETSMQALEELTAHAEGILQALGLPYRKILLCGGDMGFGATKTYDLEVWVPSQNTYREISSCSNMGDFQARRMKARYRMDQKKTELVHTLNGSGLAVGRTLLAVMENYQREDGSIEIPEVLRPYMGGATFID
Complex: AMP_A_3(3ERR) / Model_11(3ERR/A) = [6.0] Download946.743.96MIMIDPKLLRNNIEVVNAALAKRGVQLDVQEWASLETRRKDLQSKTEKLQAERNAGAKQVGQIKKSGGDASEIMARMQAIGDEIKAAEVALSELQNEIEQKALSIPNLPDESVPAGKDENDNVEISKWGTPRQFDFEIKDHTDLGEWMGGLEFETATKLTGSRFSVLKGPLARLQRALTQFMLDTHTLKNGYTEAYVPYLVNADSLRGTGQLPKFEEDLFKLQGEKEYYLIPTAEVPVTNFVRDEIIDADRLPLKYAAHTPCFRSEAGSYGRDTRGLIRQHQFDKVEMVQIVKPETSMQALEELTAHAEGILQALGLPYRKILLCGGDMGFGATKTYDLEVWVPSQNTYREISSCSNMGDFQARRMKARYRMDQKKTELVHTLNGSGLAVGRTLLAVMENYQREDGSIEIPEVLRPYMGGATFID
Consensus
[pKd Mean = 6.25]		-874
(s=71)		5
(s=1)		MIMIDPKLLRNNIEVVNAALAKRGVQLDVQEWASLETRRKDLQSKTEKLQAERNAGAKQVGQIKKSGGDASEIMARMQAIGDEIKAAEVALSELQNEIEQKALSIPNLPDESVPAGKDENDNVEISKWGTPRQFDFEIKDHTDLGEWMGGLEFETATKLTGSRFSVLKGPLARLQRALTQFMLDTHTLKNGYTEAYVPYLVNADSLRGTGQLPKFEEDLFKLQGEKEYYLIPTAEVPVTNFVRDEIIDADRLPLKYAAHTPCFRSEAGSYGRDTRGLIRQHQFDKVEMVQIVKPETSMQALEELTAHAEGILQALGLPYRKILLCGGDMGFGATKTYDLEVWVPSQNTYREISSCSNMGDFQARRMKARYRMDQKKTELVHTLNGSGLAVGRTLLAVMENYQREDGSIEIPEVLRPYMGGATFID



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]
ARG163CB424[N],
ARG163NE423[N], 1[C],
ARG163O622[C], 4[N],
ARG163CZ222[N],
ARG163CD423[N], 1[C],
ARG163CG222[N],
THR209CG2121[N],
GLN211NE2522[C], 1[N], 2[O],
GLN211CD321[N], 1[C], 1[O],
GLN211OE1721[P], 3[O], 1[N], 2[C],
ASP218OD2121[O],
PRO232CB921[P], 5[O], 1[N], 2[C],
PRO232O3721[P], 1[S], 10[O], 17[C], 8[N],
PRO232CA521[N], 4[O],
PRO232N121[O],
PRO232CG721[N], 1[C], 4[O], 1[P],
PRO232C2021[S], 1[P], 6[C], 4[N], 8[O],
PRO232CD121[O],
THR233CA1721[S], 1[P], 5[C], 2[N], 8[O],
THR233CB2221[P], 1[S], 11[O], 2[N], 7[C],
THR233C723[O], 1[N], 3[C],
THR233O522[O], 1[N], 2[C],
THR233OG12121[P], 1[S], 11[O], 2[N], 6[C],
THR233CG21728[O], 2[N], 5[C], 1[P], 1[S],
THR233N1022[N], 2[C], 5[O], 1[P],
ALA234N723[C], 1[N], 3[O],
ALA234CB221[O], 1[N],
ALA234C622[O], 1[N], 3[C],
ALA234O121[N],
ALA234CA521[N], 2[C], 2[O],
GLU235CG822[N], 3[C], 3[O],
GLU235CB924[O], 3[C], 2[N],
GLU235O221[N], 1[C],
GLU235N722[O], 3[C], 2[N],
GLU235CD1024[O], 3[C], 2[N], 1[S],
GLU235OE1823[O], 2[N], 3[C],
GLU235OE21521[P], 1[S], 7[O], 4[C], 2[N],
GLU235CA621[N], 3[C], 2[O],
GLU235C622[O], 3[C], 1[N],
VAL236CA121[N],
VAL236N421[O], 1[N], 2[C],
VAL236CG2221[O], 1[N],
VAL236CB121[N],
THR239OG1121[N],
CYS262O1227[C], 5[N],
CYS262CA422[C], 2[N],
CYS262CB2724[O], 10[N], 13[C],
CYS262SG2225[N], 11[C], 6[O],
CYS262C823[N], 5[C],
PHE263N322[N], 1[C],
PHE263C623[C], 3[N],
PHE263CA321[C], 2[N],
PHE263O323[N],
ARG264CZ52212[N], 23[C], 15[O], 1[S], 1[P],
ARG264CB19210[C], 9[N],
ARG264CG3021[P], 11[C], 10[N], 8[O],
ARG264CD4221[S], 1[P], 11[N], 19[C], 10[O],
ARG264N1026[N], 4[C],
ARG264NE47211[O], 22[C], 12[N], 1[P], 1[S],
ARG264C825[N], 3[C],
ARG264CA1026[N], 4[C],
ARG264O823[C], 5[N],
SER265N222[N],
SER265C222[N],
SER265O222[N],
SER265CA222[N],
GLU266O121[N],
GLU266OE222211[C], 10[N], 1[O],
GLU266OE11928[N], 11[C],
GLU266CD20210[N], 10[C],
GLU266C222[N],
GLU266N422[C], 2[N],
GLU266CG1626[N], 10[C],
GLU266CA523[N], 2[C],
GLU266CB1024[C], 6[N],
SER269OG322[N], 1[C],
SER269CB222[N],
ASP273OD2422[C], 2[N],
ASP273CB121[N],
GLY276O221[C], 1[N],
LEU277CA723[C], 4[N],
LEU277O20211[C], 9[N],
LEU277C1426[N], 8[C],
LEU277CB622[C], 4[N],
LEU277N422[C], 2[N],
ILE278C27214[C], 10[N], 3[O],
ILE278CG22321[O], 12[C], 10[N],
ILE278CA2421[O], 10[N], 13[C],
ILE278CB1827[N], 10[C], 1[O],
ILE278N1426[N], 8[C],
ILE278O33217[C], 10[N], 6[O],
ILE278CG1724[N], 3[C],
ARG279C20210[C], 10[N],
ARG279CB20210[N], 10[C],
ARG279NE1828[N], 10[C],
ARG279CA23210[N], 13[C],
ARG279O1628[N], 8[C],
ARG279CZ1729[C], 8[N],
ARG279CD18210[C], 8[N],
ARG279N22212[C], 10[N],
ARG279CG20210[N], 10[C],
GLN280C20210[C], 10[N],
GLN280O20210[C], 10[N],
GLN280CA1729[N], 8[C],
GLN280CG1428[C], 6[N],
GLN280CD1026[N], 4[C],
GLN280OE1723[C], 4[N],
GLN280CB1628[C], 8[N],
GLN280N21210[N], 11[C],
GLN280NE2824[C], 4[N],
HIS281CD2121[N],
HIS281O1126[C], 5[N],
HIS281CB624[N], 2[C],
HIS281ND1321[C], 2[N],
HIS281N1628[C], 8[N],
HIS281CA1024[N], 6[C],
HIS281C1126[C], 5[N],
HIS281CE1222[N],
HIS281CG222[N],
GLN282N1226[N], 6[C],
GLN282C1426[N], 8[C],
GLN282CB121[N],
GLN282O1426[N], 8[C],
GLN282CA1125[N], 6[C],
PHE283C1721[O], 9[C], 7[N],
PHE283CD238210[N], 20[C], 8[O],
PHE283CE24821[P], 1[S], 14[O], 11[N], 21[C],
PHE283CE14321[P], 1[S], 10[O], 21[C], 10[N],
PHE283N1728[C], 9[N],
PHE283CB2622[O], 14[C], 10[N],
PHE283CA2029[C], 10[N], 1[O],
PHE283O1528[C], 6[N], 1[O],
PHE283CD134218[C], 10[N], 6[O],
PHE283CG3425[O], 19[C], 10[N],
PHE283CZ49214[O], 22[C], 11[N], 1[P], 1[S],
ASP284O1829[C], 5[N], 4[O],
ASP284CA322[N], 1[C],
ASP284N1221[O], 6[C], 5[N],
ASP284C1022[O], 6[C], 2[N],
LYS285CB33219[C], 5[N], 9[O],
LYS285N522[C], 1[N], 2[O],
LYS285O121[O],
LYS285CE4421[S], 1[P], 19[C], 8[N], 15[O],
LYS285CA1024[O], 1[N], 5[C],
LYS285CG34217[C], 5[N], 10[O], 1[S], 1[P],
LYS285C323[O],
LYS285CD43215[O], 7[N], 19[C], 1[P], 1[S],
LYS285NZ37217[C], 6[N], 12[O], 1[S], 1[P],
VAL286C221[C], 1[O],
VAL286CA121[O],
VAL286O321[O], 2[C],
VAL286N121[O],
GLU287O221[C], 1[O],
GLU287CD1928[O], 2[N], 7[C], 1[P], 1[S],
GLU287C421[O], 2[C], 1[N],
GLU287CA622[O], 3[C], 1[N],
GLU287N422[C], 1[N], 1[O],
GLU287OE11926[C], 2[N], 9[O], 1[S], 1[P],
GLU287CB622[O], 3[C], 1[N],
GLU287OE22122[N], 8[C], 9[O], 1[S], 1[P],
GLU287CG1122[N], 5[C], 4[O],
MET288N422[C], 1[N], 1[O],
MET288C421[O], 2[C], 1[N],
MET288CA321[C], 1[N], 1[O],
MET288O421[O], 2[C], 1[N],
MET288CB221[O], 1[C],
MET288CG221[O], 1[C],
VAL289CB121[N],
VAL289CG2422[C], 1[N], 1[O],
LEU304CD2121[C],
LEU324CD1222[O],
THR336OG1221[O], 1[N],
THR336CG2121[O],
TYR337O222[O],
ASP338OD11023[C], 5[O], 1[S], 1[P],
ASP338OD21021[S], 5[O], 1[N], 3[C],
ASP338CB521[C], 4[O],
ASP338CA424[O],
ASP338CG721[S], 1[N], 1[C], 4[O],
ASP338C222[O],
LEU339N323[O],
LEU339CA222[O],
LEU339CB222[O],
LEU339O1026[C], 4[O],
LEU339C323[O],
GLU340N121[O],
GLU340CA121[O],
GLU340CG121[O],
ARG350C824[C], 4[O],
ARG350CA121[O],
ARG350O824[C], 4[O],
GLU351OE137216[C], 5[N], 14[O], 1[S], 1[P],
GLU351O34210[O], 18[C], 6[N],
GLU351N925[C], 4[O],
GLU351CA1829[C], 1[N], 8[O],
GLU351CG3124[N], 13[C], 12[O], 1[S], 1[P],
GLU351OE23821[P], 1[S], 13[O], 17[C], 6[N],
GLU351C2729[O], 14[C], 4[N],
GLU351CD36215[C], 6[N], 13[O], 1[S], 1[P],
GLU351CB28211[O], 2[N], 13[C], 1[P], 1[S],
ILE352CG21227[C], 5[O],
ILE352C31211[O], 4[N], 14[C], 1[P], 1[S],
ILE352CD1824[C], 4[O],
ILE352O3321[S], 1[P], 15[C], 4[N], 12[O],
ILE352CG11325[O], 8[C],
ILE352N22211[C], 2[N], 9[O],
ILE352CB1621[N], 9[C], 6[O],
ILE352CA28210[O], 4[N], 14[C],
SER353CA3021[P], 1[S], 13[O], 13[C], 2[N],
SER353C3121[P], 1[S], 15[O], 1[N], 13[C],
SER353OG2221[S], 10[O], 1[N], 10[C],
SER353CB22211[O], 1[N], 10[C],
SER353N28211[O], 3[N], 12[C], 1[P], 1[S],
SER353O2621[N], 11[C], 12[O], 1[S], 1[P],
SER354N3221[S], 1[P], 2[N], 13[C], 15[O],
SER354CA3022[N], 12[C], 14[O], 1[S], 1[P],
SER354OG3221[S], 1[P], 2[N], 13[C], 15[O],
SER354O2521[P], 1[S], 12[O], 2[N], 9[C],
SER354C2421[P], 1[S], 11[O], 9[C], 2[N],
SER354CB31213[C], 2[N], 14[O], 1[S], 1[P],
CYS355C422[C], 1[N], 1[O],
CYS355CB221[O], 1[C],
CYS355O121[C],
CYS355CA823[O], 3[C], 2[N],
CYS355N1425[C], 2[N], 5[O], 1[S], 1[P],
CYS355SG321[O], 2[C],
SER356OG1221[S], 2[N], 3[C], 6[O],
SER356CA222[C],
SER356CB522[N], 3[C],
SER356O121[C],
SER356N621[O], 3[C], 2[N],
MET358CE523[C], 2[N],
MET358SD121[N],
GLN362OE1121[N],
GLN362NE2121[N],
LEU383O221[C], 1[N],
LEU383C321[N], 2[C],
ASN384CA621[O], 3[C], 2[N],
ASN384C722[N], 3[C], 2[O],
ASN384OD11321[S], 2[N], 4[C], 6[O],
ASN384CG1023[C], 2[N], 4[O], 1[S],
ASN384CB722[N], 3[C], 2[O],
ASN384O722[O], 3[C], 2[N],
ASN384N421[N], 2[C], 1[O],
ASN384ND21224[C], 2[N], 5[O], 1[P],
GLY385O1122[N], 6[C], 3[O],
GLY385C1727[C], 2[N], 7[O], 1[S],
GLY385N822[O], 4[C], 2[N],
GLY385CA1526[O], 6[C], 2[N], 1[S],
SER386C1822[N], 8[C], 8[O],
SER386OG3824[N], 17[C], 15[O], 1[S], 1[P],
SER386N26213[O], 9[C], 2[N], 1[P], 1[S],
SER386CB3321[P], 1[S], 14[O], 13[C], 4[N],
SER386CA30213[O], 13[C], 2[N], 1[P], 1[S],
SER386O825[C], 3[O],
GLY387N726[C], 1[O],
GLY387C121[O],
GLY387CA221[O], 1[C],
LEU388O1025[O], 5[C],
LEU388CG121[O],
LEU388CA1126[O], 5[C],
LEU388N724[O], 3[C],
LEU388C1626[O], 10[C],
LEU388CD2222[O],
LEU388CB121[O],
ALA389O2125[O], 4[N], 12[C],
ALA389N2428[O], 4[N], 12[C],
ALA389CB4021[P], 1[S], 10[O], 8[N], 20[C],
ALA389C2426[O], 5[N], 13[C],
ALA389CA29217[C], 4[N], 8[O],
VAL390CA1024[N], 4[C], 2[O],
VAL390N1924[O], 5[N], 10[C],
VAL390O1327[C], 4[N], 2[O],
VAL390C1427[C], 4[N], 3[O],
VAL390CB221[N], 1[C],
GLY391CA1021[O], 4[N], 5[C],
GLY391C1522[O], 8[C], 5[N],
GLY391N1723[O], 9[C], 5[N],
GLY391O523[N], 2[C],
ARG392O522[O], 2[C], 1[N],
ARG392CB3126[O], 17[C], 8[N],
ARG392C1222[O], 6[C], 4[N],
ARG392NE3929[O], 10[N], 20[C],
ARG392CZ4121[S], 20[C], 10[N], 10[O],
ARG392CA22212[C], 6[N], 4[O],
ARG392N22212[C], 6[N], 4[O],
ARG392CG3226[O], 8[N], 18[C],
ARG392CD3727[O], 20[C], 10[N],
THR393CG2824[C], 1[N], 3[O],
THR393CA321[O], 1[N], 1[C],
THR393OG1222[O],
THR393N923[N], 4[C], 2[O],
THR393CB221[C], 1[O],
LEU395CD1523[N], 2[C],
Total = 294



Download csv file of statistical distribution of contacts