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: 5GP_D_4(2FXV) / Model_21(2FXV/B) = [8.0] Download852.9725.17MHFFGCFLKYAFALKSIRLEDSPVHALEQKILTEGIVLSDQVLKVDAFLNHQIDPVLMQQIGKEFAARFKDAGITKIITIEASGIAPAIMAGLELGVPVIFARKYQSLTLKDDLYRAKVFSFTKQTESTIAISNKHINSSDKALVIDDFLANGQAALGLIDLIHQANAEVVGVGIVIEKSFQPGRDLLLEKGYRVESLARVQSLADGTVTFVKE
Complex: G4P_B_14(1Y0B) / Model_23(1Y0B/B) = [5.0] Download1518.9334.77MHFFGCFLKYAFALKSIRLEDSPVHALEQKILTEGIVLSDQVLKVDAFLNHQIDPVLMQQIGKEFAARFKDAGITKIITIEASGIAPAIMAGLELGVPVIFARKYQSLTLKDDLYRAKVFSFTKQTESTIAISNKHINSSDKALVIDDFLANGQAALGLIDLIHQANAEVVGVGIVIEKSFQPGRDLLLEKGYRVESLARVQSLADGTVTFVKE
Consensus
[pKd Mean = 6.50]		-1185
(s=332)		29
(s=4)		MHFFGCFLKYAFALKSIRLEDSPVHALEQKILTEGIVLSDQVLKVDAFLNHQIDPVLMQQIGKEFAARFKDAGITKIITIEASGIAPAIMAGLELGVPVIFARKYQSLTLKDDLYRAKVFSFTKQTESTIAISNKHINSSDKALVIDDFLANGQAALGLIDLIHQANAEVVGVGIVIEKSFQPGRDLLLEKGYRVESLARVQSLADGTVTFVKE



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]
ILE36O824[N], 2[C], 2[O],
LEU38CG423[N], 1[C],
LEU38CD1522[C], 1[O], 2[N],
LEU38N222[O],
LEU38CB522[N], 1[C], 2[O],
SER39OG322[O], 1[C],
SER39C121[O],
SER39O222[O],
SER39N121[O],
ASP40O222[O],
ASP40C222[O],
GLN41C1927[N], 10[C], 2[O],
GLN41O2329[N], 11[C], 3[O],
GLN41CA1023[N], 2[O], 5[C],
GLN41CB925[C], 2[O], 2[N],
GLN41CG221[O], 1[N],
GLN41N321[C], 2[O],
VAL42CA22210[N], 2[O], 10[C],
VAL42N20210[C], 2[O], 8[N],
VAL42CB22210[C], 2[O], 10[N],
VAL42CG125210[N], 3[O], 12[C],
VAL42C2222[O], 10[C], 10[N],
VAL42CG22523[O], 12[C], 10[N],
VAL42O1728[C], 2[O], 7[N],
LEU43O2422[O], 12[C], 10[N],
LEU43N2222[O], 10[C], 10[N],
LEU43CA2029[C], 2[O], 9[N],
LEU43CB1822[O], 8[C], 8[N],
LEU43C22210[C], 2[O], 10[N],
LEU43CD21224[N], 2[O], 6[C],
LEU43CG1426[N], 6[C], 2[O],
LEU43CD11022[O], 4[C], 4[N],
LYS44CB1226[N], 2[O], 4[C],
LYS44CD924[N], 4[C], 1[O],
LYS44CE823[N], 4[C], 1[O],
LYS44CA1626[N], 8[C], 2[O],
LYS44CG925[N], 1[O], 3[C],
LYS44O824[N], 3[C], 1[O],
LYS44NZ1222[O], 5[C], 5[N],
LYS44N1622[O], 8[C], 6[N],
LYS44C1224[C], 2[O], 6[N],
VAL45C622[C], 4[N],
VAL45CA725[N], 2[C],
VAL45CG21626[N], 2[O], 8[C],
VAL45CB1026[N], 4[C],
VAL45CG11024[N], 2[O], 4[C],
VAL45N1226[N], 4[C], 2[O],
VAL45O422[N], 2[C],
ASP46OD1926[N], 1[O], 2[C],
ASP46CA222[N],
ASP46N624[N], 2[C],
ASP46CG422[N], 2[C],
ASP46OD2321[C], 2[N],
ASP46CB222[N],
LEU49CB222[N],
LEU49C322[N], 1[O],
LEU49CG322[N], 1[O],
LEU49CD2521[C], 4[N],
LEU49CD1421[C], 3[N],
LEU49O322[O], 1[P],
ASN50N422[N], 1[C], 1[O],
ASN50C621[P], 3[O], 2[N],
ASN50O724[O], 1[P], 2[N],
ASN50CA1222[C], 5[O], 1[P], 4[N],
ASN50CG3328[N], 14[C], 9[O], 2[P],
ASN50OD13629[N], 2[P], 10[O], 15[C],
ASN50CB2126[N], 5[C], 8[O], 2[P],
ASN50ND237215[C], 11[O], 2[P], 9[N],
HIS51CA121[O],
HIS51N221[O], 1[N],
THR79OG1222[O],
ILE80CB922[P], 6[O], 1[C],
ILE80CG21725[C], 10[O], 2[P],
ILE80N323[O],
ILE80CD11223[C], 7[O], 2[P],
ILE80CA521[P], 4[O],
ILE80O1121[C], 8[O], 2[P],
ILE80CG11022[P], 7[O], 1[C],
ILE80C927[O], 2[P],
GLU81CG521[P], 4[O],
GLU81CB423[O], 1[P],
GLU81C1122[P], 9[O],
GLU81O1422[P], 9[O], 3[C],
GLU81N826[O], 2[P],
GLU81CA822[P], 6[O],
GLU81OE1121[O],
GLU81OE2121[O],
GLU81CD222[O],
ALA82N1122[P], 9[O],
ALA82C1028[O], 2[P],
ALA82O725[O], 2[P],
ALA82CA922[P], 7[O],
ALA82CB822[P], 6[O],
SER83OG2524[N], 9[C], 10[O], 2[P],
SER83CB2223[N], 7[C], 10[O], 2[P],
SER83N1422[C], 10[O], 2[P],
SER83O922[P], 7[O],
SER83C1322[P], 9[O], 2[C],
SER83CA1422[P], 10[O], 2[C],
GLY84C222[O],
GLY84CA921[C], 6[O], 2[P],
GLY84N1422[P], 10[O], 2[C],
ILE85CD1121[O],
ILE85N121[O],
ILE85CG1121[O],
ILE85CB121[O],
LYS104CE1522[P], 9[O], 4[C],
LYS104CD1022[P], 7[O], 1[C],
LYS104CB424[O],
LYS104NZ1925[C], 12[O], 2[P],
LYS104CG725[O], 2[P],
TYR105CE1121[O],
VAL119C121[O],
VAL119CG11321[P], 8[O], 4[C],
VAL119CA121[O],
VAL119O121[O],
VAL119CB221[O], 1[P],
VAL119CG2121[O],
PHE120CG121[O],
PHE120CB322[O], 1[P],
PHE120N321[P], 2[O],
PHE120CA423[O], 1[P],
PHE120CD2322[O], 1[P],
PHE120C1023[C], 1[P], 6[O],
PHE120CE2121[O],
PHE120O1327[O], 1[P], 5[C],
SER121C1922[N], 1[P], 8[O], 8[C],
SER121N1021[P], 5[O], 4[C],
SER121O1021[N], 1[P], 4[O], 4[C],
SER121CB1721[N], 1[P], 8[O], 7[C],
SER121CA1828[C], 8[O], 1[P], 1[N],
SER121OG2122[N], 1[P], 8[O], 10[C],
PHE122CG22210[C], 1[P], 7[O], 4[N],
PHE122C2224[N], 1[P], 7[O], 10[C],
PHE122CD11722[N], 7[O], 1[P], 7[C],
PHE122CD22224[N], 1[P], 7[O], 10[C],
PHE122CB2424[N], 10[C], 1[P], 9[O],
PHE122N2129[C], 8[O], 1[P], 3[N],
PHE122CE21821[P], 5[O], 8[C], 4[N],
PHE122CZ1523[N], 5[O], 1[P], 6[C],
PHE122CE11622[N], 7[C], 1[P], 6[O],
PHE122O1523[N], 1[P], 4[O], 7[C],
PHE122CA2128[O], 1[P], 9[C], 3[N],
THR123CG22025[O], 10[C], 5[N],
THR123N2325[N], 7[O], 1[P], 10[C],
THR123O622[N], 3[C], 1[O],
THR123C1223[N], 2[O], 7[C],
THR123CA19210[C], 4[O], 5[N],
THR123CB20210[C], 5[O], 5[N],
THR123OG12025[N], 10[C], 5[O],
LYS124CE121[O],
LYS124CG322[O], 1[C],
LYS124CA221[O], 1[C],
LYS124N925[C], 2[O], 2[N],
ILE130CG2121[O],
ILE146O121[O],
ASP147OD22521[N], 9[C], 13[O], 2[P],
ASP147C824[C], 4[O],
ASP147CG2227[C], 12[O], 2[P], 1[N],
ASP147O322[C], 1[O],
ASP147N221[O], 1[C],
ASP147OD12122[P], 12[O], 7[C],
ASP147CA824[O], 4[C],
ASP147CB1228[O], 4[C],
ASP148OD14229[N], 18[C], 13[O], 2[P],
ASP148CG41218[C], 12[O], 2[P], 9[N],
ASP148OD24422[P], 13[O], 19[C], 10[N],
ASP148C3027[N], 15[C], 7[O], 1[P],
ASP148N1621[P], 8[O], 6[C], 1[N],
ASP148CB2825[N], 2[P], 10[O], 11[C],
ASP148CA1922[N], 1[P], 8[O], 8[C],
ASP148O2024[O], 11[C], 5[N],
PHE149CA43219[C], 2[P], 12[O], 10[N],
PHE149O3826[N], 2[P], 13[O], 17[C],
PHE149CE23721[P], 9[O], 17[C], 10[N],
PHE149CB49210[N], 20[C], 17[O], 2[P],
PHE149CZ30210[N], 15[C], 5[O],
PHE149CG43210[N], 12[O], 2[P], 19[C],
PHE149N43210[N], 18[C], 13[O], 2[P],
PHE149CD139210[N], 19[C], 10[O],
PHE149CE13427[O], 17[C], 10[N],
PHE149CD24422[P], 13[O], 19[C], 10[N],
PHE149C39213[O], 2[P], 17[C], 7[N],
LEU150CB1122[N], 4[C], 4[O], 1[P],
LEU150CG621[P], 4[O], 1[C],
LEU150CD1823[C], 4[O], 1[P],
LEU150O27214[C], 8[O], 1[P], 4[N],
LEU150C3025[N], 15[C], 9[O], 1[P],
LEU150CA2724[N], 14[C], 1[P], 8[O],
LEU150CD2221[P], 1[O],
LEU150N3426[N], 17[C], 10[O], 1[P],
ALA151C1824[N], 7[C], 6[O], 1[P],
ALA151N3325[N], 1[P], 11[O], 16[C],
ALA151O1022[N], 3[C], 1[P], 4[O],
ALA151CB40211[O], 1[P], 20[C], 8[N],
ALA151CA30215[C], 10[O], 1[P], 4[N],
ASN152ND2925[O], 1[P], 2[C], 1[N],
ASN152CB1023[C], 5[O], 1[P], 1[N],
ASN152C725[O], 1[P], 1[C],
ASN152CG1021[P], 5[O], 3[C], 1[N],
ASN152CA1222[N], 1[P], 5[O], 4[C],
ASN152O624[O], 1[P], 1[C],
ASN152N2029[C], 6[O], 1[P], 4[N],
ASN152OD1524[O], 1[P],
GLY153CA721[P], 4[O], 2[C],
GLY153C724[O], 1[P], 2[C],
GLY153N1126[O], 1[P], 4[C],
GLY153O621[C], 4[O], 1[P],
GLN154N1026[O], 1[P], 3[C],
GLN154O722[C], 4[O], 1[P],
GLN154OE1521[P], 4[O],
GLN154CD524[O], 1[P],
GLN154NE2322[O], 1[P],
GLN154CG922[C], 6[O], 1[P],
GLN154CA926[O], 1[P], 2[C],
GLN154CB1123[C], 1[P], 7[O],
GLN154C1123[C], 7[O], 1[P],
ALA155C925[O], 1[P], 3[C],
ALA155CA1425[C], 1[P], 8[O],
ALA155N1728[C], 8[O], 1[P],
ALA155CB2521[N], 10[C], 12[O], 2[P],
ALA155O722[C], 4[O], 1[P],
ALA156O121[O],
ALA156CA621[P], 4[O], 1[C],
ALA156CB621[P], 4[O], 1[C],
ALA156C322[O], 1[P],
ALA156N925[O], 1[P], 3[C],
LEU157CG222[O],
LEU157N421[P], 3[O],
LEU157CB121[O],
LEU157CA121[O],
LEU157CD1222[O],
GLY158N121[O],
LEU159CD1121[O],
ILE175CG2221[O], 1[C],
ILE175CD1422[O], 2[C],
ILE175CG1121[O],
ILE177CD11024[N], 2[O], 4[C],
ILE177CG1121[N],
ILE177CG21123[N], 6[C], 2[O],
ILE177CB1123[N], 2[O], 6[C],
ILE177C421[O], 2[C], 1[N],
ILE177O2226[N], 12[C], 4[O],
GLU178C221[N], 1[O],
LYS179N922[O], 5[C], 2[N],
LYS179CD2129[N], 10[C], 2[O],
LYS179CE3628[O], 1[P], 17[C], 10[N],
LYS179NZ38210[N], 18[C], 9[O], 1[P],
LYS179CB1123[N], 6[C], 2[O],
LYS179CA723[C], 2[O], 2[N],
LYS179CG1822[O], 9[C], 7[N],
PHE181CE2222[O],
PHE181CZ421[N], 2[O], 1[C],
PHE181CE1121[O],
GLN182CD1426[C], 5[O], 3[N],
GLN182OE12226[N], 9[C], 6[O], 1[P],
GLN182CB422[O], 2[N],
GLN182NE21126[C], 2[O], 3[N],
GLN182CG522[O], 1[C], 2[N],
PRO183C222[O],
PRO183CG121[O],
GLY184N322[O], 1[P],
GLY184C322[O], 1[P],
GLY184CA524[O], 1[P],
GLY184O121[O],
ARG185N121[O],
LEU188CD1121[O],
LEU188CG121[O],
LEU204CD2322[O], 1[C],
LEU204CD11024[C], 2[O], 4[N],
LEU204CG422[O], 2[C],
LEU204CB222[O],
Total = 272



Download csv file of statistical distribution of contacts