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 :C6_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 C6_S1
Complex: COA_D_6(4R4U) / Model_10(4R4U/D) = [3.4] Download1925.3724.60MNALTQELVELLTLEKLEENIYRGISRNLVGKRVFGGQVLGQALRAASYTTDRPAHSLHAYFLYGGDINAPIIYEVDRLRDGKSFVSRQVRAIQHGRVIFSAMVSFANPEEGLNYQHPEPDYPAPEALKSESELKEGILNFVPENVRASFMRERHVEIRPIDPVNPFQPQPEAPFNAHYIRTHDRIPKQLEDISLHQAIVAFYSDFTLMTTALRPHGLSYISPSLQCASIDHAIYFHRPLRADEWMLYDMEATVSAASRGLNFGRMWQNGQLVCSTVQEGLMRLREIETQ
Consensus
[pKd Mean = 3.40]
-1925
(s=0)
24
(s=0)
MNALTQELVELLTLEKLEENIYRGISRNLVGKRVFGGQVLGQALRAASYTTDRPAHSLHAYFLYGGDINAPIIYEVDRLRDGKSFVSRQVRAIQHGRVIFSAMVSFANPEEGLNYQHPEPDYPAPEALKSESELKEGILNFVPENVRASFMRERHVEIRPIDPVNPFQPQPEAPFNAHYIRTHDRIPKQLEDISLHQAIVAFYSDFTLMTTALRPHGLSYISPSLQCASIDHAIYFHRPLRADEWMLYDMEATVSAASRGLNFGRMWQNGQLVCSTVQEGLMRLREIETQ



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]
ARG331HH21712[O], 12[C], 3[N],
ARG33N111[C],
ARG33CG614[C], 1[O], 1[N],
ARG331HB611[N], 4[C], 1[O],
ARG331HD811[N], 2[O], 5[C],
ARG33C611[N], 1[O], 3[C], 1[S],
ARG33HE811[O], 4[C], 3[N],
ARG33CZ2414[O], 13[C], 7[N],
ARG33CB614[C], 1[O], 1[N],
ARG33NH11813[O], 10[C], 5[N],
ARG33CA511[N], 3[C], 1[O],
ARG332HD1211[S], 2[N], 2[O], 7[C],
ARG331HG513[C], 1[O], 1[N],
ARG33NH22513[O], 15[C], 7[N],
ARG332HH23316[O], 20[C], 7[N],
ARG33NE1313[N], 8[C], 2[O],
ARG33O412[C], 1[O], 1[N],
ARG332HG211[N], 1[C],
ARG331HH11613[O], 8[C], 5[N],
ARG332HB911[S], 1[N], 2[O], 5[C],
ARG33HA312[C], 1[N],
ARG33CD916[C], 2[O], 1[N],
ARG332HH12215[N], 14[C], 3[O],
VAL34H611[S], 1[N], 3[C], 1[O],
VAL343HG1811[S], 5[C], 1[O], 1[N],
VAL342HG2311[S], 2[C],
VAL34N611[S], 1[N], 3[C], 1[O],
VAL342HG1811[S], 1[O], 5[C], 1[N],
VAL34C611[O], 3[C], 1[N], 1[S],
VAL34CB611[S], 1[O], 3[C], 1[N],
VAL34CG1811[S], 1[N], 1[O], 5[C],
VAL343HG2411[S], 2[C], 1[N],
VAL34CG2512[C], 1[O], 1[N], 1[S],
VAL341HG1811[N], 5[C], 1[O], 1[S],
VAL341HG2611[O], 3[C], 1[N], 1[S],
VAL34HA411[N], 2[C], 1[S],
VAL34O811[S], 1[N], 5[C], 1[O],
VAL34HB411[S], 2[C], 1[N],
VAL34CA611[S], 1[N], 1[O], 3[C],
PHE35HA611[N], 1[O], 3[C], 1[S],
PHE35H412[C], 1[O], 1[S],
PHE35CB311[O], 2[C],
PHE35HD1311[O], 2[C],
PHE35C611[S], 1[O], 3[C], 1[N],
PHE35CA611[S], 1[N], 1[O], 3[C],
PHE352HB111[C],
PHE35CG111[C],
PHE351HB111[C],
PHE35O611[N], 3[C], 1[O], 1[S],
PHE35CD1211[O], 1[C],
PHE35N613[C], 1[O], 1[N], 1[S],
GLY36CA711[S], 1[O], 4[C], 1[N],
GLY36H711[S], 1[N], 4[C], 1[O],
GLY361HA811[S], 1[N], 5[C], 1[O],
GLY362HA811[S], 1[N], 5[C], 1[O],
GLY36C613[C], 1[O], 1[N], 1[S],
GLY36O611[N], 1[O], 3[C], 1[S],
GLY36N711[S], 1[N], 1[O], 4[C],
GLY37N412[C], 1[O], 1[S],
GLY37CA111[C],
GLY371HA111[C],
GLY37H411[S], 2[C], 1[O],
GLY37C111[C],
GLN38N211[S], 1[C],
GLN38CB111[C],
GLN382HB312[C], 1[S],
GLN38H312[C], 1[S],
GLN38C211[S], 1[C],
GLN38CA111[C],
VAL39CG1412[C], 1[N], 1[S],
VAL39N312[C], 1[S],
VAL393HG1611[S], 1[N], 1[O], 3[C],
VAL392HG2611[S], 1[N], 3[C], 1[O],
VAL39C211[C], 1[S],
VAL39H511[S], 1[N], 2[C], 1[O],
VAL393HG2811[S], 1[N], 1[O], 5[C],
VAL391HG2411[N], 2[C], 1[S],
VAL39HA311[S], 2[C],
VAL39CG2611[S], 1[O], 3[C], 1[N],
VAL39HB611[N], 3[C], 1[O], 1[S],
VAL392HG1411[S], 1[N], 2[C],
VAL39CA311[S], 2[C],
VAL39CB611[N], 3[C], 1[O], 1[S],
VAL391HG1412[C], 1[N], 1[S],
VAL39O211[S], 1[C],
LEU40HA111[S],
LEU40H211[C], 1[S],
LEU402HD2111[S],
LEU403HD2211[C], 1[S],
LEU40CG211[S], 1[C],
LEU40HG211[C], 1[S],
LEU40N211[C], 1[S],
ALA603HB111[S],
TYR61CD2111[O],
TYR61HA211[N], 1[O],
TYR61C1111[S], 2[O], 6[C], 2[N],
TYR61CA111[N],
TYR61HD2311[N], 1[O], 1[C],
TYR612HB412[C], 1[O], 1[N],
TYR61O714[C], 2[N], 1[S],
PHE62HE1811[S], 5[C], 1[O], 1[N],
PHE62CA1413[O], 8[C], 2[N], 1[S],
PHE62CB1611[S], 2[N], 3[O], 10[C],
PHE62CE2911[S], 5[C], 1[O], 2[N],
PHE62HZ711[O], 4[C], 1[N], 1[S],
PHE62CD11212[O], 7[C], 2[N], 1[S],
PHE62HA1311[S], 2[N], 3[O], 7[C],
PHE62H1311[S], 7[C], 3[O], 2[N],
PHE62CZ911[O], 5[C], 2[N], 1[S],
PHE62HD11212[N], 2[O], 7[C], 1[S],
PHE62O1814[O], 11[C], 2[N], 1[S],
PHE622HB1711[S], 11[C], 3[O], 2[N],
PHE62C1712[N], 11[C], 3[O], 1[S],
PHE62CG1313[O], 7[C], 2[N], 1[S],
PHE62HD21317[C], 3[O], 2[N], 1[S],
PHE62CD21311[S], 7[C], 3[O], 2[N],
PHE62CE1911[O], 5[C], 2[N], 1[S],
PHE62N1311[S], 2[N], 3[O], 7[C],
PHE62HE2912[N], 5[C], 1[O], 1[S],
PHE621HB1713[O], 11[C], 2[N], 1[S],
LEU633HD2311[O], 1[C], 1[N],
LEU63CD1111[N],
LEU63HA1811[P], 5[O], 9[C], 2[N], 1[S],
LEU63C2011[S], 2[N], 11[C], 5[O], 1[P],
LEU632HB1117[C], 3[O], 1[N],
LEU63H1512[N], 3[O], 9[C], 1[S],
LEU63CD2611[N], 1[O], 4[C],
LEU631HD2711[N], 1[O], 5[C],
LEU632HD2912[O], 6[C], 1[N],
LEU63N1711[S], 2[N], 11[C], 3[O],
LEU631HB1212[N], 2[O], 7[C], 1[S],
LEU63HG611[S], 1[N], 3[C], 1[O],
LEU63CG511[O], 3[C], 1[N],
LEU63O2313[N], 11[C], 7[O], 1[P], 1[S],
LEU63CA1912[N], 5[O], 11[C], 1[S],
LEU63CB1311[S], 2[N], 2[O], 8[C],
TYR64HE21213[N], 7[C], 1[O], 1[P],
TYR64C1711[S], 2[N], 3[O], 11[C],
TYR64CB1614[N], 9[C], 2[O], 1[S],
TYR64CZ512[C], 1[O], 2[N],
TYR642HB1711[O], 11[C], 4[N], 1[S],
TYR64HA2415[O], 13[C], 1[P], 4[N], 1[S],
TYR64OH111[O],
TYR64HH211[N], 1[O],
TYR64CE1611[O], 4[C], 1[N],
TYR64O1511[S], 2[N], 9[C], 3[O],
TYR64CD21313[N], 8[C], 2[O],
TYR64N1811[S], 2[N], 4[O], 11[C],
TYR64CA1911[S], 3[N], 11[C], 4[O],
TYR64CD1711[O], 4[C], 2[N],
TYR641HB1211[S], 2[N], 8[C], 1[O],
TYR64HD1713[C], 1[O], 2[N], 1[S],
TYR64HD21712[O], 10[C], 1[P], 4[N],
TYR64H1611[S], 3[O], 10[C], 2[N],
TYR64CE21313[N], 8[C], 2[O],
TYR64CG1411[S], 2[O], 7[C], 4[N],
GLY65H2511[S], 5[N], 4[O], 15[C],
GLY65N1913[O], 11[C], 4[N], 1[S],
GLY652HA1613[N], 10[C], 2[O], 1[S],
GLY65C1112[N], 6[C], 2[O], 1[S],
GLY65CA1412[N], 9[C], 2[O], 1[S],
GLY651HA1512[N], 3[O], 9[C], 1[S],
GLY65O1116[C], 2[O], 2[N], 1[S],
GLY66N1111[S], 2[N], 2[O], 6[C],
GLY66H1112[N], 2[O], 6[C], 1[S],
GLY661HA614[C], 1[N], 1[S],
GLY66O611[S], 3[C], 1[O], 1[N],
GLY66C511[S], 1[N], 3[C],
GLY66CA815[C], 1[O], 1[N], 1[S],
GLY662HA815[C], 1[O], 1[N], 1[S],
ASP67N411[S], 1[N], 2[C],
ASP67HA111[C],
ASP67H412[C], 1[N], 1[S],
ILE72CD1312[C], 1[S],
ILE722HD1311[S], 2[C],
ILE721HD1211[C], 1[S],
ILE722HG2111[S],
ILE72CG1111[S],
ILE723HG2211[C], 1[S],
ILE723HD1312[C], 1[S],
ILE721HG1211[S], 1[C],
ILE72CG2111[S],
TYR74HH211[C], 1[S],
TYR74HE2111[S],
TYR74CZ111[S],
TYR74CE2111[S],
TYR74OH211[S], 1[C],
ALA921HB211[S], 1[C],
ALA92CA111[S],
ALA92O111[S],
ALA923HB211[S], 1[C],
ALA92N111[S],
ALA922HB312[C], 1[S],
ALA92H111[S],
ALA92C111[S],
ALA92CB211[C], 1[S],
GLN941HB111[S],
GLN94OE1211[C], 1[S],
ARG97NH2212[N],
ARG972HH2311[C], 2[N],
ARG971HH2311[C], 2[N],
VAL981HG1111[S],
VAL98C111[S],
VAL98O111[S],
ILE991HD1811[S], 5[C], 1[O], 1[N],
ILE991HG1412[C], 1[N], 1[S],
ILE993HD1412[C], 1[N], 1[S],
ILE99O1311[S], 2[N], 3[O], 7[C],
ILE99CA811[S], 2[N], 5[C],
ILE99H111[S],
ILE99N211[S], 1[C],
ILE99HA916[C], 2[N], 1[S],
ILE99HB1111[S], 2[N], 2[O], 6[C],
ILE99CB812[N], 5[C], 1[S],
ILE992HG2311[S], 2[C],
ILE99CD1611[S], 1[N], 4[C],
ILE992HD1411[S], 2[C], 1[N],
ILE993HG2511[S], 3[C], 1[N],
ILE99C1012[N], 6[C], 1[O], 1[S],
ILE99CG1611[N], 4[C], 1[S],
ILE99CG2511[S], 1[N], 3[C],
ILE991HG2511[S], 1[N], 3[C],
ILE992HG1911[S], 2[N], 1[O], 5[C],
PHE100HE1611[S], 1[O], 3[C], 1[N],
PHE100CD1811[N], 1[O], 5[C], 1[S],
PHE100CB911[S], 5[C], 1[O], 2[N],
PHE100HA815[C], 2[N], 1[S],
PHE100HD2211[C], 1[S],
PHE100N714[C], 2[N], 1[S],
PHE100HD1911[S], 5[C], 1[O], 2[N],
PHE100H412[C], 1[N], 1[S],
PHE100O111[S],
PHE100C211[C], 1[S],
PHE100CD2211[S], 1[C],
PHE100CE1411[S], 2[C], 1[N],
PHE100CZ211[C], 1[S],
PHE100HE2111[S],
PHE100CE2211[S], 1[C],
PHE1001HB912[N], 5[C], 1[O], 1[S],
PHE1002HB611[S], 1[N], 4[C],
PHE100CA711[S], 4[C], 2[N],
PHE100HZ111[S],
PHE100CG513[C], 1[N], 1[S],
SER101H111[S],
SER101N111[S],
ASP205OD2513[C], 1[O], 1[N],
ASP205OD1111[O],
ASP205CG111[O],
MET2093HE211[C], 1[O],
GLN226CD2812[N], 3[P], 11[C], 12[O],
GLN226CA413[C], 1[O],
GLN226CG1911[N], 1[P], 8[C], 9[O],
GLN226NE235115[C], 14[O], 3[P], 3[N],
GLN2262HE23514[N], 3[P], 12[O], 16[C],
GLN2261HE23613[N], 15[C], 15[O], 3[P],
GLN2261HG20110[C], 9[O], 1[P],
GLN226CB1211[P], 6[C], 5[O],
GLN226C211[O], 1[C],
GLN2262HB1211[P], 5[C], 6[O],
GLN2262HG1911[N], 2[P], 7[O], 9[C],
GLN226O211[C], 1[O],
GLN226OE12413[P], 11[O], 9[C], 1[N],
GLN2261HB1212[P], 5[C], 5[O],
GLN226HA313[C],
CYS227H111[C],
CYS227CA111[C],
CYS227O612[O], 4[C],
CYS227N111[C],
CYS227HA111[C],
CYS227C713[O], 4[C],
ALA228N1211[N], 4[O], 7[C],
ALA228O1511[N], 5[O], 9[C],
ALA228CB1715[O], 10[C], 2[N],
ALA2281HB1715[O], 10[C], 2[N],
ALA228C1419[C], 3[O], 2[N],
ALA228HA1313[O], 8[C], 2[N],
ALA228H915[C], 4[O],
ALA2282HB2212[N], 8[O], 10[C], 2[P],
ALA2283HB1812[N], 5[O], 11[C],
ALA228CA1512[N], 9[C], 4[O],
SER229CB1311[S], 7[C], 3[O], 2[N],
SER229CA1412[N], 3[O], 9[C],
SER2291HB1012[O], 6[C], 2[N],
SER2292HB1411[S], 8[C], 3[O], 2[N],
SER229O1812[N], 11[C], 4[O], 1[S],
SER229H1412[N], 9[C], 3[O],
SER229N15110[C], 3[O], 2[N],
SER229HA1112[N], 3[O], 6[C],
SER229C1612[N], 3[O], 11[C],
SER229HG1011[S], 2[O], 5[C], 2[N],
SER229OG1012[O], 6[C], 2[N],
ILE2302HG11311[N], 8[C], 4[O],
ILE2302HG21217[C], 4[O], 1[N],
ILE2301HD1411[O], 3[C],
ILE230HB412[C], 1[O], 1[N],
ILE230CD1815[C], 3[O],
ILE230CA1213[O], 8[C], 1[N],
ILE230CG11311[N], 4[O], 8[C],
ILE230CG2811[N], 5[C], 2[O],
ILE2302HD1713[O], 4[C],
ILE230O1112[N], 3[O], 6[C],
ILE230HA1519[C], 4[O], 2[N],
ILE230N1318[C], 3[O], 2[N],
ILE2303HG2311[O], 2[C],
ILE2301HG2411[N], 2[C], 1[O],
ILE230CB1012[O], 7[C], 1[N],
ILE230H1117[C], 3[O], 1[N],
ILE2303HD11115[O], 5[C], 1[P],
ILE230C911[N], 2[O], 6[C],
ILE2301HG11518[C], 5[O], 1[P], 1[N],
ASP231HA211[C], 1[O],
ASP231H211[C], 1[O],
ASP231N311[C], 1[O], 1[N],
HIS2321HB111[O],
SER258HG111[O],
SER2582HB312[O], 1[P],
SER258CB111[O],
SER2581HB212[O],
GLN2781HE2111[O],
GLN278OE1111[O],
GLU279O111[O],
GLY280CA211[O], 1[C],
GLY2801HA514[C], 1[O],
GLY280C211[O], 1[C],
GLY2802HA111[O],
LEU2811HD1911[P], 3[C], 5[O],
LEU281H1114[O], 6[C], 1[N],
LEU281CD22312[P], 10[C], 11[O],
LEU2813HD224111[O], 11[C], 2[P],
LEU281N813[O], 5[C],
LEU2812HD11612[P], 8[O], 6[C],
LEU281HA714[O], 3[C],
LEU281CB1718[O], 7[C], 2[P],
LEU2812HB1811[N], 8[C], 7[O], 2[P],
LEU281CD11312[P], 7[O], 4[C],
LEU281C311[C], 2[O],
LEU2811HB1911[N], 7[C], 9[O], 2[P],
LEU2812HD22511[N], 11[C], 11[O], 2[P],
LEU281CG1812[P], 8[O], 8[C],
LEU281HG1116[O], 4[C], 1[P],
LEU2813HD11316[O], 5[C], 2[P],
LEU281O311[C], 2[O],
LEU2811HD22312[P], 10[O], 10[C], 1[N],
LEU281CA914[O], 4[C], 1[P],
ARG2831HB511[P], 1[C], 3[O],
ARG283NE1013[C], 6[O], 1[P],
ARG2832HD1114[C], 5[O], 2[P],
ARG283HE911[P], 3[C], 5[O],
ARG283NH22319[C], 11[O], 3[P],
ARG283CZ1718[O], 7[C], 2[P],
ARG2832HB811[P], 4[O], 3[C],
ARG2831HD1512[P], 5[C], 8[O],
ARG2831HH223111[O], 9[C], 3[P],
ARG2831HH11216[O], 4[C], 2[P],
ARG2832HH22711[N], 3[P], 13[O], 10[C],
ARG283CB511[P], 3[O], 1[C],
ARG2831HG111[C],
ARG283NH11712[P], 6[C], 9[O],
ARG2832HH11917[C], 10[O], 2[P],
ARG2832HG312[O], 1[C],
ARG283CD1016[O], 3[C], 1[P],
ARG283CG613[O], 2[C], 1[P],
Total = 362



Download csv file of statistical distribution of contacts