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 :C1_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 C1_S1
Complex: ADN_A_3(4LBG) / Model_17(4LBG/A) = [4.4] Download411.2819.33MATVDLFAIGNALIDQEFKVSDDFLSQQGLQKGTMQLSDGETQSALYEKLKQTQDYKGQASGGSAANTTVAFSALGGSAFYGCRVGHDELGGIYLQGLNDAGIQTTPKSISEGVTGTCMVLISPDSERTMHTYLGITAELSQDQIDFEPLKTAKWLYIEGYLSTSETARKAVKQAREIAKAHGVKIALSLSDPAMVQYAREGLEELMDDGVDLLFCNEQEALMYTNTTTVEDALTQLLFKNHTVVITQSAKGALVANPTHHFHVAGHHVEAVDTNGAGDAFAGAFLYALNHHEDLTAAAQLAILISSEVVSQFGPRLAINDYAKLLENFQKECA
Consensus
[pKd Mean = 4.40]		-411
(s=0)		19
(s=0)		MATVDLFAIGNALIDQEFKVSDDFLSQQGLQKGTMQLSDGETQSALYEKLKQTQDYKGQASGGSAANTTVAFSALGGSAFYGCRVGHDELGGIYLQGLNDAGIQTTPKSISEGVTGTCMVLISPDSERTMHTYLGITAELSQDQIDFEPLKTAKWLYIEGYLSTSETARKAVKQAREIAKAHGVKIALSLSDPAMVQYAREGLEELMDDGVDLLFCNEQEALMYTNTTTVEDALTQLLFKNHTVVITQSAKGALVANPTHHFHVAGHHVEAVDTNGAGDAFAGAFLYALNHHEDLTAAAQLAILISSEVVSQFGPRLAINDYAKLLENFQKECA



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]
ILE9C111[C],
ILE9O111[C],
GLY101HA513[C], 2[N],
GLY10O311[C], 2[N],
GLY10N211[C], 1[N],
GLY10H111[C],
GLY102HA512[N], 3[C],
GLY10CA512[N], 3[C],
GLY10C512[N], 3[C],
ASN11CG1015[C], 5[N],
ASN11H1115[N], 6[C],
ASN11CB1215[N], 6[C], 1[O],
ASN112HD21215[N], 6[C], 1[O],
ASN11C1315[N], 1[O], 7[C],
ASN11O1719[C], 3[O], 5[N],
ASN11ND21116[C], 5[N],
ASN112HB1311[O], 7[C], 5[N],
ASN11N914[N], 5[C],
ASN11CA1015[C], 5[N],
ASN111HB1415[N], 7[C], 2[O],
ASN11OD1713[N], 4[C],
ASN111HD21015[C], 5[N],
ASN11HA714[C], 3[N],
ALA12CA511[O], 2[C], 2[N],
ALA12H412[N], 2[C],
ALA12HA612[N], 3[C], 1[O],
ALA12C913[N], 1[O], 5[C],
ALA12N712[N], 1[O], 4[C],
ALA12O512[N], 2[C], 1[O],
LEU132HD21315[N], 1[O], 7[C],
LEU13CD21415[N], 7[C], 2[O],
LEU13CD11815[N], 10[C], 3[O],
LEU13CA1514[N], 8[C], 3[O],
LEU133HD21317[C], 1[O], 5[N],
LEU13C1012[N], 6[C], 2[O],
LEU13CB1715[N], 9[C], 3[O],
LEU131HD11914[O], 10[C], 5[N],
LEU132HB1715[N], 3[O], 9[C],
LEU13HA1211[O], 7[C], 4[N],
LEU131HB18110[C], 3[O], 5[N],
LEU133HD11715[N], 9[C], 3[O],
LEU131HD21518[C], 2[O], 5[N],
LEU132HD118110[C], 3[O], 5[N],
LEU13O1113[O], 6[C], 2[N],
LEU13H1413[N], 8[C], 3[O],
LEU13N1414[N], 8[C], 2[O],
LEU13HG1715[N], 9[C], 3[O],
LEU13CG1713[O], 9[C], 5[N],
ILE14CA412[C], 2[O],
ILE141HG2111[O],
ILE14CB111[O],
ILE14HB111[O],
ILE14N611[N], 3[C], 2[O],
ILE142HD1111[O],
ILE14H211[C], 1[O],
ILE14O711[N], 2[O], 4[C],
ILE14HA412[C], 2[O],
ILE142HG2111[O],
ILE14C711[N], 2[O], 4[C],
ASP151HB713[O], 4[C],
ASP152HB1016[C], 3[O], 1[N],
ASP15OD11514[O], 8[C], 3[N],
ASP15O212[O],
ASP15CG1518[C], 4[O], 3[N],
ASP15CB1013[O], 6[C], 1[N],
ASP15OD21413[N], 7[C], 4[O],
ASP15HA1012[N], 3[O], 5[C],
ASP15C412[O], 2[C],
ASP15H614[C], 2[O],
ASP15CA811[N], 5[C], 2[O],
ASP15N711[N], 4[C], 2[O],
GLN16N311[C], 2[O],
GLN16H412[C], 2[O],
GLU171HB111[O],
THR34O211[C], 1[N],
THR34C211[N], 1[C],
MET35C613[C], 3[N],
MET35CE1915[N], 4[O], 10[C],
MET351HE1914[O], 10[C], 5[N],
MET35O512[N], 3[C],
MET35HA1114[N], 6[C], 1[O],
MET351HG1518[C], 2[O], 5[N],
MET35N613[N], 3[C],
MET351HB17110[C], 2[O], 5[N],
MET35CA1014[N], 5[C], 1[O],
MET35CB1315[N], 1[O], 7[C],
MET353HE1915[N], 10[C], 4[O],
MET352HB1211[O], 6[C], 5[N],
MET352HG1211[O], 6[C], 5[N],
MET35SD1813[O], 10[C], 5[N],
MET35H412[C], 2[N],
MET35CG1411[O], 8[C], 5[N],
MET352HE19110[C], 4[O], 5[N],
GLN36O512[N], 3[C],
GLN36CA212[N],
GLN36N512[N], 3[C],
GLN36H613[C], 3[N],
GLN36C512[N], 3[C],
LEU37CA312[N], 1[C],
LEU37C111[N],
LEU37HA513[C], 2[N],
LEU37N412[N], 2[C],
LEU371HD2512[C], 3[N],
LEU372HD1211[N], 1[C],
LEU371HD1111[N],
LEU372HB111[N],
LEU373HD1513[N], 2[C],
LEU372HD2914[N], 5[C],
LEU37CD1211[N], 1[C],
LEU373HD21015[N], 5[C],
LEU37H212[N],
LEU37HG613[C], 3[N],
LEU37CD2815[C], 3[N],
LEU37CB211[C], 1[N],
LEU37CG513[N], 2[C],
LEU371HB111[N],
SER38H212[N],
ALA60C212[O],
ALA60CB111[O],
ALA60O412[O], 2[C],
ALA602HB311[C], 2[O],
ALA60CA111[O],
ALA60H212[O],
ALA603HB111[O],
SER61N212[O],
SER612HB212[O],
SER61C614[C], 2[O],
SER61HA311[C], 2[O],
SER61CB111[O],
SER61CA212[O],
SER61O612[O], 4[C],
GLY621HA1312[N], 7[C], 4[O],
GLY62CA1317[C], 4[O], 2[N],
GLY62C1614[O], 9[C], 3[N],
GLY62O1217[C], 3[O], 2[N],
GLY622HA1613[N], 4[O], 9[C],
GLY62H811[N], 4[C], 3[O],
GLY62N811[N], 4[C], 3[O],
GLY63C1814[N], 4[O], 10[C],
GLY63CA1915[N], 10[C], 4[O],
GLY63O1614[O], 9[C], 3[N],
GLY632HA1814[N], 4[O], 10[C],
GLY63N1814[O], 10[C], 4[N],
GLY631HA1915[N], 4[O], 10[C],
GLY63H1915[N], 4[O], 10[C],
SER64HA1814[O], 10[C], 4[N],
SER64H1915[N], 4[O], 10[C],
SER64C1514[O], 8[C], 3[N],
SER64CB19110[C], 4[O], 5[N],
SER642HB19110[C], 4[O], 5[N],
SER641HB1915[N], 4[O], 10[C],
SER64O1317[C], 4[O], 2[N],
SER64OG1814[N], 10[C], 4[O],
SER64CA1814[N], 10[C], 4[O],
SER64HG17110[C], 3[O], 4[N],
SER64N1914[O], 10[C], 5[N],
ALA65H1614[O], 9[C], 3[N],
ALA652HB312[N], 1[C],
ALA65HA211[N], 1[C],
ALA65CA211[C], 1[N],
ALA651HB312[N], 1[C],
ALA65N1513[N], 8[C], 4[O],
ALA65C211[N], 1[C],
ALA65CB211[C], 1[N],
ALA662HB1116[C], 3[O], 2[N],
ALA66CB412[O], 1[C], 1[N],
ALA66N612[O], 3[C], 1[N],
ALA661HB512[C], 2[O], 1[N],
ALA66CA111[O],
ALA66C111[O],
ALA66H1213[N], 3[O], 6[C],
ALA663HB212[O],
ASN671HD21512[N], 4[O], 9[C],
ASN67HA312[C], 1[O],
ASN67H1314[O], 7[C], 2[N],
ASN67ND21414[O], 8[C], 2[N],
ASN67N914[O], 5[C],
ASN671HB1011[N], 4[O], 5[C],
ASN67CG1212[N], 4[O], 6[C],
ASN67CA513[C], 2[O],
ASN67CB914[O], 5[C],
ASN67OD11112[N], 4[O], 5[C],
ASN672HD21414[O], 8[C], 2[N],
ASN672HB914[O], 5[C],
ASN67C111[O],
THR68N111[O],
THR68H412[C], 2[O],
THR68OG1111[O],
THR68HG1111[O],
TYR81HE1211[N], 1[C],
TYR81OH211[N], 1[C],
TYR81HH211[N], 1[C],
TYR94HD1111[O],
TYR94HE1212[O],
TYR94CE1111[O],
GLY116O111[O],
GLY1162HA111[C],
GLY116C111[O],
THR117HA511[O], 2[C], 2[N],
THR117CA311[C], 1[O], 1[N],
THR117C714[C], 1[O], 2[N],
THR117O913[N], 1[O], 5[C],
THR117N111[O],
CYS118SG1815[N], 3[O], 10[C],
CYS118CB1813[O], 10[C], 5[N],
CYS1181HB1815[N], 3[O], 10[C],
CYS1182HB1815[N], 10[C], 3[O],
CYS118H1016[C], 2[O], 2[N],
CYS118O814[C], 2[O], 2[N],
CYS118HA1111[O], 7[C], 3[N],
CYS118N916[C], 1[O], 2[N],
CYS118CA1212[N], 3[O], 7[C],
CYS118C712[N], 1[O], 4[C],
MET119N411[O], 2[C], 1[N],
MET119H211[C], 1[N],
MET119O211[N], 1[C],
MET119C111[C],
VAL1203HG11014[O], 6[C],
VAL1202HG21217[C], 3[O], 2[N],
VAL120HB512[O], 3[C],
VAL1201HG21412[N], 8[C], 4[O],
VAL120CB916[C], 3[O],
VAL1202HG11011[N], 3[O], 6[C],
VAL120H111[C],
VAL120HA313[C],
VAL120CA313[C],
VAL1201HG1212[C],
VAL120CG21212[N], 3[O], 7[C],
VAL120CG1913[O], 6[C],
VAL120N111[C],
VAL1203HG21418[C], 4[O], 2[N],
ILE1223HD1212[C],
ARG1282HD311[O], 2[C],
ARG128CG913[O], 6[C],
ARG1281HG1016[C], 3[O], 1[N],
ARG128CB312[C], 1[O],
ARG1281HH21413[N], 8[C], 3[O],
ARG128NH21313[O], 8[C], 2[N],
ARG1281HD512[O], 3[C],
ARG1282HB111[C],
ARG128CD512[O], 3[C],
ARG128NH1612[O], 4[C],
ARG128NE1011[N], 6[C], 3[O],
ARG1282HH21313[N], 8[C], 2[O],
ARG1281HH1412[C], 2[O],
ARG128CZ1113[O], 6[C], 2[N],
ARG1281HB313[C],
ARG1282HG1111[N], 4[O], 6[C],
ARG128HE1013[O], 6[C], 1[N],
ARG1282HH1713[C], 2[O], 2[N],
THR129C111[C],
MET1302HE1514[O], 8[C], 3[N],
MET1301HB1714[N], 4[O], 9[C],
MET130CB1719[C], 4[O], 4[N],
MET1301HE1513[N], 4[O], 8[C],
MET130C513[C], 2[N],
MET1303HE1714[O], 10[C], 3[N],
MET130SD1914[O], 10[C], 5[N],
MET1301HG1412[N], 4[O], 8[C],
MET1302HB1915[N], 10[C], 4[O],
MET130HA912[O], 5[C], 2[N],
MET130N412[C], 2[N],
MET130O412[C], 2[N],
MET130CG1613[N], 9[C], 4[O],
MET130CA1016[C], 2[O], 2[N],
MET130H411[O], 1[C], 2[N],
MET130CE1619[C], 4[O], 3[N],
MET1302HG1418[C], 4[O], 2[N],
HIS131H712[N], 1[O], 4[C],
HIS131C512[C], 3[N],
HIS131N512[N], 3[C],
HIS131HA312[C], 1[N],
HIS131O311[N], 2[C],
HIS131CA311[N], 2[C],
THR132HB1317[C], 1[O], 5[N],
THR132C714[C], 3[N],
THR132CG21417[C], 2[O], 5[N],
THR132N714[C], 3[N],
THR132HG118110[C], 3[O], 5[N],
THR132CA1014[N], 1[O], 5[C],
THR132H713[N], 4[C],
THR1321HG21317[C], 1[O], 5[N],
THR132CB1412[O], 7[C], 5[N],
THR132OG11612[O], 9[C], 5[N],
THR132HA1114[N], 6[C], 1[O],
THR132O513[C], 2[N],
THR1323HG21518[C], 2[O], 5[N],
THR1322HG21512[O], 8[C], 5[N],
TYR133C312[N], 1[C],
TYR133O412[N], 2[C],
TYR133HA111[N],
TYR133N513[C], 2[N],
TYR133CA212[N],
TYR133H512[N], 3[C],
LEU1343HD1613[N], 3[C],
LEU134N311[C], 2[N],
LEU134CD21015[C], 5[N],
LEU1342HB312[N], 1[C],
LEU134H211[N], 1[C],
LEU1342HD1312[N], 1[C],
LEU1341HB211[C], 1[N],
LEU134CG714[C], 3[N],
LEU1341HD2814[N], 4[C],
LEU1341HD1312[N], 1[C],
LEU134CA513[N], 2[C],
LEU134CB412[C], 2[N],
LEU134HA813[N], 5[C],
LEU134HG815[C], 3[N],
LEU134C111[N],
LEU1342HD21015[N], 5[C],
LEU1343HD21015[C], 5[N],
LEU134CD1412[N], 2[C],
THR137HG1613[N], 3[C],
THR1372HG2412[N], 2[C],
THR137CG2613[C], 3[N],
THR137OG1311[C], 2[N],
THR1371HG2513[N], 2[C],
THR137HB412[C], 2[N],
THR137CB412[C], 2[N],
THR1373HG21015[N], 5[C],
GLU1591HB714[C], 3[N],
GLU159HA312[N], 1[C],
GLU159H211[C], 1[N],
GLU159N111[C],
GLU159O211[N], 1[C],
GLU159C211[C], 1[N],
GLU1592HB814[C], 4[N],
GLU1591HG1212[O], 6[C], 4[N],
GLU1592HG512[N], 3[C],
GLU159CD1315[N], 7[C], 1[O],
GLU159CG1014[N], 1[O], 5[C],
GLU159CA311[C], 2[N],
GLU159OE11211[O], 6[C], 5[N],
GLU159CB713[N], 4[C],
GLU159OE218110[C], 3[O], 5[N],
GLY160N211[C], 1[N],
GLY160O212[N],
GLY160H111[C],
GLY160C412[N], 2[C],
TYR161HD11115[N], 1[O], 5[C],
TYR161HE219110[C], 4[O], 5[N],
TYR161OH1815[N], 3[O], 10[C],
TYR161CD21813[O], 10[C], 5[N],
TYR161CZ1815[N], 10[C], 3[O],
TYR161H713[N], 4[C],
TYR161CG1415[N], 7[C], 2[O],
TYR161N713[N], 4[C],
TYR1611HB1215[N], 1[O], 6[C],
TYR161HA814[C], 4[N],
TYR161O714[C], 3[N],
TYR161CE21813[O], 10[C], 5[N],
TYR161CD11215[N], 6[C], 1[O],
TYR161HD218110[C], 3[O], 5[N],
TYR1612HB1216[C], 1[O], 5[N],
TYR161HH19110[C], 4[O], 5[N],
TYR161CA814[N], 4[C],
TYR161HE11312[O], 6[C], 5[N],
TYR161C713[N], 4[C],
TYR161CE11612[O], 9[C], 5[N],
TYR161CB1216[C], 1[O], 5[N],
LEU162N513[N], 2[C],
LEU1623HD1111[C],
LEU162CD2412[N], 2[C],
LEU162HA512[C], 3[N],
LEU1621HD2211[N], 1[C],
LEU162H513[N], 2[C],
LEU162C111[N],
LEU162CA412[N], 2[C],
LEU162CG211[N], 1[C],
LEU1623HD2412[N], 2[C],
LEU162CB211[N], 1[C],
LEU1622HD2513[N], 2[C],
LEU162HG513[N], 2[C],
LEU1621HB111[N],
SER163H212[N],
SER163N111[N],
THR164C111[N],
THR164HG1613[N], 3[C],
THR164CB312[N], 1[C],
THR164OG1311[C], 2[N],
THR164HB513[C], 2[N],
THR1643HG2412[N], 2[C],
THR1642HG2111[N],
THR164H311[C], 2[N],
THR164N111[N],
THR1641HG2211[N], 1[C],
THR164CG2312[N], 1[C],
THR164CA111[N],
SER165H311[C], 2[N],
SER1652HB212[N],
SER165N111[N],
SER189HG111[O],
SER191CA412[N], 1[O], 1[C],
SER191O712[O], 4[C], 1[N],
SER191HA612[N], 2[C], 2[O],
SER191OG713[N], 4[C],
SER1911HB512[C], 3[N],
SER191HG713[N], 4[C],
SER191C111[O],
SER191CB713[N], 4[C],
SER1912HB1316[C], 2[O], 5[N],
ASP1921HB1215[C], 2[O], 5[N],
ASP192CB312[C], 1[N],
ASP1922HB512[C], 3[N],
MET1951HE814[C], 4[N],
MET195CB111[N],
MET195SD613[N], 3[C],
MET1953HE513[C], 2[N],
MET1952HG814[C], 4[N],
MET195CG512[N], 3[C],
MET195CE513[C], 2[N],
MET1952HB111[N],
MET1951HG512[C], 3[N],
MET1952HE312[N], 1[C],
ASP273OD1111[C],
THR274O311[O], 2[C],
THR274C211[C], 1[O],
ASN2752HD21116[C], 4[O], 1[N],
ASN2751HB914[O], 5[C],
ASN275CA815[C], 3[O],
ASN2751HD21314[O], 7[C], 2[N],
ASN275CB914[O], 5[C],
ASN275HA813[O], 5[C],
ASN275OD11214[O], 7[C], 1[N],
ASN275C815[C], 3[O],
ASN2752HB714[C], 3[O],
ASN275CG1111[N], 4[O], 6[C],
ASN275O613[C], 3[O],
ASN275H513[C], 2[O],
ASN275ND21111[N], 6[C], 4[O],
ASN275N513[C], 2[O],
GLY276CA815[C], 3[O],
GLY276N915[C], 4[O],
GLY276O512[O], 3[C],
GLY276H1015[C], 4[O], 1[N],
GLY276C613[O], 3[C],
GLY2761HA1015[C], 4[O], 1[N],
GLY2762HA815[C], 3[O],
ALA2771HB111[O],
ALA277O111[O],
ALA277HA211[O], 1[C],
ALA2772HB211[C], 1[O],
ALA277H613[O], 3[C],
ALA277CA211[C], 1[O],
ALA277N413[C], 1[O],
ALA277C211[O], 1[C],
ALA277CB211[C], 1[O],
GLY278N211[C], 1[O],
GLY2782HA211[C], 1[O],
GLY2781HA111[O],
GLY278H311[O], 2[C],
GLY278CA211[O], 1[C],
GLY278O111[O],
GLY278C211[O], 1[C],
ASP279OD21418[C], 4[O], 2[N],
ASP279HA412[O], 2[C],
ASP279C211[O], 1[C],
ASP279H613[C], 3[O],
ASP2791HB713[O], 4[C],
ASP279CA412[O], 2[C],
ASP279CG1216[C], 4[O], 2[N],
ASP279O111[O],
ASP279OD11314[O], 7[C], 2[N],
ASP279N412[O], 2[C],
ASP279CB714[C], 3[O],
ASP2792HB713[O], 4[C],
ALA280N211[O], 1[C],
ALA280H211[C], 1[O],
VAL3093HG1211[C], 1[O],
VAL3093HG2211[O], 1[C],
GLY314C211[O], 1[C],
GLY314O111[O],
GLY314CA111[O],
GLY3141HA211[O], 1[C],
PRO315CG914[O], 5[C],
PRO315CB914[O], 5[C],
PRO3151HD513[C], 2[O],
PRO3152HB1015[C], 4[O], 1[N],
PRO315CD614[C], 2[O],
PRO3151HB1011[N], 5[C], 4[O],
PRO315O513[C], 2[O],
PRO315N514[C], 1[O],
PRO315C513[C], 2[O],
PRO3151HG914[O], 5[C],
PRO315CA814[C], 4[O],
PRO3152HG1011[N], 5[C], 4[O],
PRO315HA713[O], 4[C],
PRO3152HD614[C], 2[O],
ARG316CA111[O],
ARG316CD111[O],
ARG316N211[O], 1[C],
ARG316HA111[O],
ARG316HE512[O], 3[C],
ARG316H111[O],
ARG316CB111[O],
ARG316CZ111[O],
ARG3161HD111[O],
ARG3162HH2212[O],
ARG316NE212[O],
ARG3162HG412[C], 2[O],
ARG3161HH2614[C], 2[O],
ARG316CG111[O],
ARG316NH2212[O],
ARG3161HG111[O],
Total = 504



Download csv file of statistical distribution of contacts