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: AGS_A_6(1ZUN) / Model_10(1ZUN/A) = [6.0] Download1098.7826.19MFMTESRLTHLKQLEAESIHIIREVAAEFENPVMLYSIGKDSAVMLHLALKAFYPAKLPFPLLHVDTGWKFKDMIAFRDNMAKTHGFDLIVHQNKEGREAGINPFDHGSSKYTDIMKTQALKQALDKYQFDAAFGGARRDEEKSRAKERVYSFRDSKHRWDPKNQRPELWNLYNGKVNKGESIRVFPLSNWTELDIWQYIYLENIQIVPLYFSAVRPVVERSGTLIMVDDERMRLKEGEVPQMKSVRFRTLGCYPLTGAVESEADTLPEIIQEMLLATSSERQGRMIDHDEAGSMEKKKQEGYF
Consensus
[pKd Mean = 6.00]		-1098
(s=0)		26
(s=0)		MFMTESRLTHLKQLEAESIHIIREVAAEFENPVMLYSIGKDSAVMLHLALKAFYPAKLPFPLLHVDTGWKFKDMIAFRDNMAKTHGFDLIVHQNKEGREAGINPFDHGSSKYTDIMKTQALKQALDKYQFDAAFGGARRDEEKSRAKERVYSFRDSKHRWDPKNQRPELWNLYNGKVNKGESIRVFPLSNWTELDIWQYIYLENIQIVPLYFSAVRPVVERSGTLIMVDDERMRLKEGEVPQMKSVRFRTLGCYPLTGAVESEADTLPEIIQEMLLATSSERQGRMIDHDEAGSMEKKKQEGYF



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]
MET34O712[N], 1[O], 4[C],
MET34CA311[O], 1[N], 1[C],
MET34C814[C], 1[O], 3[N],
MET34CB111[O],
LEU35CD11113[N], 2[O], 6[C],
LEU35C1915[N], 4[O], 10[C],
LEU35N1418[C], 3[N], 3[O],
LEU35CD217110[C], 4[N], 3[O],
LEU35CG1715[N], 3[O], 9[C],
LEU35CB18110[C], 5[N], 3[O],
LEU35CA1719[C], 3[O], 5[N],
LEU35O2216[O], 5[N], 1[P], 10[C],
TYR36C2119[C], 5[N], 6[O], 1[P],
TYR36N1819[C], 4[O], 5[N],
TYR36O1815[O], 5[N], 8[C],
TYR36CA1919[C], 5[N], 5[O],
TYR36CG1116[C], 3[N], 2[O],
TYR36CE2311[C], 2[N],
TYR36CD11213[N], 4[O], 5[C],
TYR36CD2611[O], 2[N], 3[C],
TYR36CB1313[N], 3[O], 7[C],
TYR36CE1512[C], 2[O], 1[N],
TYR36CZ111[O],
SER37C2415[N], 9[O], 1[P], 9[C],
SER37CA28110[O], 5[N], 3[P], 10[C],
SER37O1715[N], 1[P], 3[O], 8[C],
SER37N2615[N], 9[O], 2[P], 10[C],
SER37OG3111[S], 10[C], 5[N], 12[O], 3[P],
SER37CB3015[N], 12[O], 3[P], 10[C],
ILE38CD1613[N], 3[C],
ILE38CA1712[P], 4[N], 6[O], 5[C],
ILE38C911[C], 2[P], 6[O],
ILE38O712[P], 5[O],
ILE38CB512[O], 2[N], 1[C],
ILE38N2618[C], 5[N], 3[P], 10[O],
ILE38CG1711[O], 3[N], 3[C],
GLY39N2311[S], 6[C], 10[O], 3[N], 3[P],
GLY39CA16110[O], 3[P], 2[C], 1[S],
GLY39C1613[P], 10[O], 2[C], 1[S],
GLY39O16110[O], 3[P], 1[S], 2[C],
LYS40N16110[O], 3[P], 1[S], 2[C],
LYS40CD1111[S], 3[P], 7[O],
LYS40CA1213[P], 8[O], 1[S],
LYS40NZ812[P], 5[O], 1[S],
LYS40CE1211[S], 8[O], 3[P],
LYS40C1211[C], 1[S], 3[P], 7[O],
LYS40O911[S], 6[O], 2[P],
LYS40CG1211[S], 8[O], 3[P],
LYS40CB912[P], 6[O], 1[S],
ASP41OD21913[P], 11[O], 4[C], 1[S],
ASP41O1313[C], 7[O], 3[P],
ASP41N1911[S], 4[C], 3[P], 11[O],
ASP41CB2111[S], 5[C], 12[O], 3[P],
ASP41CA1911[S], 4[C], 11[O], 3[P],
ASP41C2015[C], 1[S], 3[P], 11[O],
ASP41OD11713[P], 10[O], 3[C], 1[S],
ASP41CG1914[C], 1[S], 11[O], 3[P],
SER42C1114[C], 1[P], 6[O],
SER42O612[C], 3[O], 1[P],
SER42N2417[C], 1[S], 3[P], 1[N], 12[O],
SER42CA2012[N], 3[P], 8[O], 7[C],
SER42OG28111[O], 4[N], 3[P], 10[C],
SER42CB28110[C], 11[O], 4[N], 3[P],
ALA43C111[O],
ALA43CB312[O], 1[P],
ALA43CA511[P], 4[O],
ALA43N912[C], 6[O], 1[P],
VAL44CB111[O],
VAL44N212[O],
MET45CG412[O], 2[C],
MET45CA212[O],
MET45N313[O],
MET45SD713[O], 4[C],
MET45CE1212[N], 4[O], 6[C],
MET45CB512[C], 3[O],
LEU46N111[O],
LEU62C111[C],
LEU63N312[N], 1[C],
LEU63C914[N], 1[O], 4[C],
LEU63CD1311[C], 2[N],
LEU63CD2512[N], 3[C],
LEU63O1315[N], 1[O], 7[C],
LEU63CA512[N], 3[C],
LEU63CG714[C], 3[N],
LEU63CB513[C], 2[N],
HIS64CE1814[C], 4[N],
HIS64N713[N], 4[C],
HIS64ND1714[C], 3[N],
HIS64NE21015[N], 5[C],
HIS64CA914[C], 5[N],
HIS64O714[C], 3[N],
HIS64C915[N], 4[C],
HIS64CG914[C], 5[N],
HIS64CB713[N], 4[C],
HIS64CD21115[N], 6[C],
VAL65CG11015[C], 5[N],
VAL65CA1015[N], 5[C],
VAL65N1115[N], 6[C],
VAL65C1015[N], 5[C],
VAL65O1015[N], 5[C],
VAL65CG21115[N], 6[C],
VAL65CB1116[C], 5[N],
ASP66OD1111[N],
ASP66CG111[N],
ASP66CA512[N], 3[C],
ASP66CB311[C], 2[N],
ASP66N714[C], 3[N],
ASP66C312[N], 1[C],
ASP66O311[C], 2[N],
THR67CG2111[N],
THR67N312[N], 1[C],
THR67CB211[N], 1[C],
THR67OG1512[C], 3[N],
THR67CA111[N],
LYS70CD612[C], 1[O], 3[N],
LYS70NZ1617[C], 5[N], 4[O],
LYS70CE1115[N], 1[O], 5[C],
LYS70CG211[C], 1[N],
LYS70CB111[N],
MET74CE711[N], 2[P], 4[O],
MET74SD313[O],
ILE90O211[C], 1[N],
HIS92N111[N],
HIS92O311[C], 2[N],
HIS92CB111[N],
MET116O211[C], 1[N],
MET116C111[N],
LYS117N211[N], 1[C],
LYS117CA513[N], 2[C],
LYS117NZ2412[P], 5[N], 7[O], 10[C],
LYS117O513[N], 2[C],
LYS117CG1015[C], 5[N],
LYS117CB814[C], 4[N],
LYS117CD1517[C], 3[O], 5[N],
LYS117C513[N], 2[C],
LYS117CE1911[P], 5[N], 4[O], 9[C],
ALA120CB111[N],
LEU121CD11216[C], 5[N], 1[O],
LEU121CG1115[N], 6[C],
LEU121CD21211[O], 5[N], 6[C],
LEU121N312[N], 1[C],
LEU121CB915[N], 4[C],
LEU121CA412[N], 2[C],
PHE134CA412[C], 2[O],
PHE134C1015[C], 3[O], 2[N],
PHE134CB111[O],
PHE134N111[O],
PHE134O1217[C], 3[O], 2[N],
GLY135C1512[N], 6[O], 7[C],
GLY135N1116[C], 2[N], 3[O],
GLY135O913[O], 1[N], 5[C],
GLY135CA1312[N], 4[O], 7[C],
GLY136CA1912[P], 1[N], 9[O], 7[C],
GLY136C1916[C], 2[P], 1[N], 10[O],
GLY136N1812[N], 7[O], 2[P], 7[C],
GLY136O1811[N], 2[P], 10[O], 5[C],
ALA137CB1516[C], 7[O], 1[N], 1[P],
ALA137CA1716[C], 1[N], 2[P], 8[O],
ALA137O613[O], 3[C],
ALA137N1711[N], 8[O], 2[P], 6[C],
ALA137C1015[O], 1[P], 4[C],
ARG138CB111[O],
ARG138NE812[P], 5[O], 1[S],
ARG138CA111[O],
ARG138CG313[O],
ARG138CD111[O],
ARG138N915[O], 1[P], 3[C],
ARG138CZ611[S], 2[P], 3[O],
ARG138O111[O],
GLU141CB511[P], 2[O], 1[S], 1[C],
GLU141C111[O],
GLU141CA111[O],
GLU141CG711[P], 4[O], 1[C], 1[S],
GLU141CD1513[P], 8[O], 3[C], 1[S],
GLU141OE11518[O], 3[P], 3[C], 1[S],
GLU141OE21711[S], 3[C], 3[P], 10[O],
GLU142CG111[O],
GLU142CD111[O],
GLU142OE2111[O],
VAL185O111[O],
PHE186CD2714[C], 3[O],
PHE186CE2813[O], 5[C],
PHE186CZ211[O], 1[C],
PHE186CG111[C],
LEU188CG111[O],
LEU188CD1111[O],
LEU188CB111[O],
LEU188CD2811[P], 4[O], 3[C],
GLU193OE1111[S],
GLU193CD111[S],
GLU193OE2711[S], 5[O], 1[P],
GLU193CG111[S],
ILE196CG2211[O], 1[S],
TRP197CZ2411[S], 1[P], 2[O],
TRP197CZ3111[O],
TRP197NE1211[O], 1[S],
TRP197CE2211[O], 1[S],
ILE207CD1311[P], 2[O],
ILE207CG1111[O],
VAL208CG2111[O],
VAL208CB111[O],
LEU210O111[O],
TYR211O111[O],
TYR211C111[O],
PHE212CA311[P], 1[O], 1[S],
PHE212O511[P], 3[O], 1[S],
PHE212C513[O], 1[P], 1[S],
PHE212N111[O],
SER213C1013[P], 6[O], 1[S],
SER213OG1313[P], 9[O], 1[S],
SER213CB1111[S], 3[P], 7[O],
SER213CA912[P], 6[O], 1[S],
SER213O711[S], 5[O], 1[P],
SER213N513[O], 1[P], 1[S],
ALA214N1218[O], 3[P], 1[S],
ALA214CA1113[P], 7[O], 1[S],
ALA214C1211[S], 8[O], 3[P],
ALA214CB1111[S], 7[O], 3[P],
ALA214O1513[P], 1[N], 9[O], 1[S], 1[C],
Total = 219



Download csv file of statistical distribution of contacts