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 :C9_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C9_S1
Complex: ACP_A_4(2X14) / Model_42(2X14/A) = [8.5] Download1044.336.94MNFQRMTDLNLAGKRVLIREDLNVPVKNGVITSDARLRAALPTIKAALEKGAAVMVFSHLGRPVEGEPKPEQSLAPVAAYLTEALGQEVKLFTDYLDGVEVEAGQVVLLENVRFNPGEKKNNPELAQKYAALCDVFVMDAFGTAHRAEASTEGVARFAPVAAAGPLLAAELDALGRAMQTPEKPMVAIVAGSKVSTKLDVLNSLSGICDQLIVGGGIANTFLAAAGYNVGKSLYEADLVETAKQIAAKVSVPLPTDVVVADASQINFEDFLGSLAAAQAVIKKVEDVTANDMILDVGPETAKAFANILTTSKTILWNGPVGVFEVDQFGEGTKALSLAVAQSDAFSIAGGGDTLAAIDKYNVADQIGYISTGGGAFLEFVEGKTLPAVAVLLERA
Complex: ANP_A_4(3ZLB) / Model_75(3ZLB/A) = [7.7] Download1132.0818.25MNFQRMTDLNLAGKRVLIREDLNVPVKNGVITSDARLRAALPTIKAALEKGAAVMVFSHLGRPVEGEPKPEQSLAPVAAYLTEALGQEVKLFTDYLDGVEVEAGQVVLLENVRFNPGEKKNNPELAQKYAALCDVFVMDAFGTAHRAEASTEGVARFAPVAAAGPLLAAELDALGRAMQTPEKPMVAIVAGSKVSTKLDVLNSLSGICDQLIVGGGIANTFLAAAGYNVGKSLYEADLVETAKQIAAKVSVPLPTDVVVADASQINFEDFLGSLAAAQAVIKKVEDVTANDMILDVGPETAKAFANILTTSKTILWNGPVGVFEVDQFGEGTKALSLAVAQSDAFSIAGGGDTLAAIDKYNVADQIGYISTGGGAFLEFVEGKTLPAVAVLLERA
Complex: LA8_D_8(2Y3I) / Model_28(2Y3I/D) = [6.9] Download865.7010.66MNFQRMTDLNLAGKRVLIREDLNVPVKNGVITSDARLRAALPTIKAALEKGAAVMVFSHLGRPVEGEPKPEQSLAPVAAYLTEALGQEVKLFTDYLDGVEVEAGQVVLLENVRFNPGEKKNNPELAQKYAALCDVFVMDAFGTAHRAEASTEGVARFAPVAAAGPLLAAELDALGRAMQTPEKPMVAIVAGSKVSTKLDVLNSLSGICDQLIVGGGIANTFLAAAGYNVGKSLYEADLVETAKQIAAKVSVPLPTDVVVADASQINFEDFLGSLAAAQAVIKKVEDVTANDMILDVGPETAKAFANILTTSKTILWNGPVGVFEVDQFGEGTKALSLAVAQSDAFSIAGGGDTLAAIDKYNVADQIGYISTGGGAFLEFVEGKTLPAVAVLLERA
Complex: BIS_A_2(16PK) / Model_82(16PK/A) = [6.6] Download1798.099.93MNFQRMTDLNLAGKRVLIREDLNVPVKNGVITSDARLRAALPTIKAALEKGAAVMVFSHLGRPVEGEPKPEQSLAPVAAYLTEALGQEVKLFTDYLDGVEVEAGQVVLLENVRFNPGEKKNNPELAQKYAALCDVFVMDAFGTAHRAEASTEGVARFAPVAAAGPLLAAELDALGRAMQTPEKPMVAIVAGSKVSTKLDVLNSLSGICDQLIVGGGIANTFLAAAGYNVGKSLYEADLVETAKQIAAKVSVPLPTDVVVADASQINFEDFLGSLAAAQAVIKKVEDVTANDMILDVGPETAKAFANILTTSKTILWNGPVGVFEVDQFGEGTKALSLAVAQSDAFSIAGGGDTLAAIDKYNVADQIGYISTGGGAFLEFVEGKTLPAVAVLLERA
Complex: ADP_A_3(2XE7) / Model_36(2XE7/A) = [6.3] Download875.8918.76MNFQRMTDLNLAGKRVLIREDLNVPVKNGVITSDARLRAALPTIKAALEKGAAVMVFSHLGRPVEGEPKPEQSLAPVAAYLTEALGQEVKLFTDYLDGVEVEAGQVVLLENVRFNPGEKKNNPELAQKYAALCDVFVMDAFGTAHRAEASTEGVARFAPVAAAGPLLAAELDALGRAMQTPEKPMVAIVAGSKVSTKLDVLNSLSGICDQLIVGGGIANTFLAAAGYNVGKSLYEADLVETAKQIAAKVSVPLPTDVVVADASQINFEDFLGSLAAAQAVIKKVEDVTANDMILDVGPETAKAFANILTTSKTILWNGPVGVFEVDQFGEGTKALSLAVAQSDAFSIAGGGDTLAAIDKYNVADQIGYISTGGGAFLEFVEGKTLPAVAVLLERA
Consensus
[pKd Mean = 7.20]		-1143
(s=342)		12
(s=4)		MNFQRMTDLNLAGKRVLIREDLNVPVKNGVITSDARLRAALPTIKAALEKGAAVMVFSHLGRPVEGEPKPEQSLAPVAAYLTEALGQEVKLFTDYLDGVEVEAGQVVLLENVRFNPGEKKNNPELAQKYAALCDVFVMDAFGTAHRAEASTEGVARFAPVAAAGPLLAAELDALGRAMQTPEKPMVAIVAGSKVSTKLDVLNSLSGICDQLIVGGGIANTFLAAAGYNVGKSLYEADLVETAKQIAAKVSVPLPTDVVVADASQINFEDFLGSLAAAQAVIKKVEDVTANDMILDVGPETAKAFANILTTSKTILWNGPVGVFEVDQFGEGTKALSLAVAQSDAFSIAGGGDTLAAIDKYNVADQIGYISTGGGAFLEFVEGKTLPAVAVLLERA



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]
ASN23ND2181[O],
ARG36NE181[O],
ARG36CZ282[O],
GLY142O581[P], 4[O],
GLY142C483[O], 1[P],
GLY142CA481[P], 3[O],
HIS145NE2383[O],
HIS145CE1282[O],
HIS145CD2181[O],
ALA190C4588[C], 3[N], 28[O], 6[P],
ALA190N282[O],
ALA190CA483[O], 1[P],
ALA190CB1081[P], 4[O], 1[N], 4[C],
ALA190O4189[P], 30[O], 2[C],
GLY191O120857[C], 31[N], 26[O], 6[P],
GLY191CA140814[P], 49[O], 17[N], 60[C],
GLY191N103811[P], 39[O], 15[N], 38[C],
GLY191C143842[O], 10[P], 66[C], 25[N],
SER192C54827[O], 6[P], 15[C], 6[N],
SER192N148824[N], 68[C], 10[P], 46[O],
SER192O28813[O], 2[P], 8[C], 5[N],
SER192OG13489[P], 48[O], 20[N], 57[C],
SER192CB149828[N], 74[C], 8[P], 39[O],
SER192CA13988[P], 36[O], 29[N], 66[C],
LYS193N38829[O], 7[P], 2[C],
LYS193CG2581[C], 5[P], 19[O],
LYS193CA1585[P], 10[O],
LYS193CD26819[O], 6[P], 1[C],
LYS193NZ1985[P], 13[O], 1[C],
LYS193O981[P], 8[O],
LYS193C686[O],
LYS193CE2481[C], 5[P], 18[O],
LYS193CB2086[P], 14[O],
THR196CG2181[O],
THR196OG1781[P], 6[O],
THR196CB181[O],
LYS197CG12812[O],
LYS197NZ7381[N], 6[C], 2[F], 17[P], 47[O],
LYS197CE5782[F], 16[P], 36[O], 1[N], 2[C],
LYS197CD20816[O], 3[P], 1[C],
GLY214C581[O], 4[N],
GLY214O281[N], 1[O],
GLY215CA57826[N], 30[C], 1[O],
GLY215O45823[C], 21[N], 1[O],
GLY215N3081[O], 14[N], 15[C],
GLY215C62830[C], 31[N], 1[O],
GLY216O1986[C], 13[N],
GLY216C41821[N], 19[C], 1[O],
GLY216N88837[N], 44[C], 7[O],
GLY216CA75838[C], 36[N], 1[O],
ILE217N1789[N], 7[C], 1[O],
ILE217CD1383[O],
ASN219ND22086[C], 14[N],
ASN219CG282[N],
LEU233CD233817[N], 16[C],
LEU233O181[N],
LEU233CD14881[O], 21[N], 26[C],
LEU233CG38817[N], 21[C],
LEU233CB32817[C], 15[N],
LEU233N1486[C], 8[N],
LEU233CA1087[N], 3[C],
PHE267CE2281[O], 1[C],
PHE267CD1684[N], 2[C],
PHE267CZ883[C], 3[N], 2[O],
PHE267CE11286[C], 4[N], 2[O],
PHE270CE2281[C], 1[N],
PHE270CG181[C],
PHE270CZ681[O], 2[N], 3[C],
PHE270CE1983[N], 5[C], 1[O],
PHE270CD1381[C], 2[N],
MET292CE683[C], 3[N],
ILE293CA989[N],
ILE293CG2686[N],
ILE293O45823[C], 22[N],
ILE293C27815[N], 12[C],
ILE293CB686[N],
ILE293N787[N],
LEU294CB33817[C], 16[N],
LEU294O6581[O], 34[C], 30[N],
LEU294N23815[N], 8[C],
LEU294CD1581[C], 4[N],
LEU294CG28813[C], 15[N],
LEU294CA51824[N], 27[C],
LEU294CD252823[N], 29[C],
LEU294C4281[O], 19[C], 22[N],
ASP295C585[N],
ASP295N1889[N], 9[C],
ASP295CA787[N],
ASP295O383[N],
TRP316C181[O],
TRP316O181[O],
ASN317ND23181[N], 1[C], 9[P], 20[O],
ASN317C2781[N], 1[C], 7[P], 18[O],
ASN317CA1881[C], 1[N], 12[O], 4[P],
ASN317CB15810[O], 3[P], 1[C], 1[N],
ASN317OD141810[P], 29[O], 1[N], 1[C],
ASN317O2584[P], 19[O], 1[N], 1[C],
ASN317CG3181[C], 1[N], 21[O], 8[P],
ASN317N181[O],
GLY318C40825[O], 9[P], 5[C], 1[N],
GLY318O10810[O],
GLY318CA6189[C], 1[N], 37[O], 13[P], 1[F],
GLY318N4383[C], 1[N], 26[O], 12[P], 1[F],
PRO319CG104810[N], 42[C], 11[P], 41[O],
PRO319CA33813[O], 4[N], 16[C],
PRO319CB68821[O], 37[C], 10[N],
PRO319C2684[O], 11[N], 11[C],
PRO319N60829[O], 11[P], 19[C], 1[N],
PRO319CD110813[P], 53[O], 3[N], 41[C],
PRO319O53814[N], 27[C], 12[O],
VAL320C34817[N], 16[C], 1[O],
VAL320N1788[N], 7[C], 2[O],
VAL320CA1581[O], 7[N], 7[C],
VAL320O38816[N], 21[C], 1[O],
GLY321CA64823[N], 38[C], 3[O],
GLY321N5583[O], 22[N], 30[C],
GLY321O101818[O], 61[C], 22[N],
GLY321C93831[N], 48[C], 14[O],
VAL322C41820[C], 13[N], 8[O],
VAL322O1087[O], 3[C],
VAL322N100836[N], 54[C], 10[O],
VAL322CA101859[C], 27[N], 15[O],
VAL322CG172812[O], 15[N], 45[C],
VAL322CB9889[O], 57[C], 32[N],
VAL322CG2106811[O], 57[C], 38[N],
PHE323CD228810[O], 18[C],
PHE323N4389[O], 9[N], 25[C],
PHE323CE1583[C], 2[O],
PHE323CE233821[C], 12[O],
PHE323CB381[C], 2[O],
PHE323CD1583[C], 2[O],
PHE323C484[O],
PHE323CA982[C], 7[O],
PHE323CZ1689[O], 7[C],
PHE323CG1386[C], 7[O],
GLU324OE265840[C], 1[N], 24[O],
GLU324CB10810[O],
GLU324CD48832[C], 16[O],
GLU324CG29815[O], 14[C],
GLU324OE16487[N], 35[C], 22[O],
GLU324N1388[O], 5[C],
GLU324CA484[O],
GLY349C1488[O], 3[P], 1[F], 1[C], 1[N],
GLY349N181[O],
GLY349O20811[O], 5[P], 1[F], 2[C], 1[N],
GLY349CA383[O],
GLY350C3781[F], 7[P], 24[O], 1[N], 4[C],
GLY350CA27819[O], 5[P], 1[F], 1[C], 1[N],
GLY350O3081[N], 3[C], 1[F], 7[P], 18[O],
GLY350N1981[C], 1[N], 12[O], 5[P],
GLY351O1684[P], 12[O],
GLY351CA4286[C], 1[N], 24[O], 9[P], 2[F],
GLY351N4381[N], 6[C], 2[F], 9[P], 25[O],
GLY351C32821[O], 7[P], 1[F], 2[C], 1[N],
ASP352OD291812[P], 49[O], 30[C],
ASP352CA4488[P], 28[O], 1[N], 7[C],
ASP352O1681[C], 4[P], 11[O],
ASP352OD165837[O], 8[P], 20[C],
ASP352CB73822[C], 1[N], 40[O], 10[P],
ASP352CG81845[O], 11[P], 25[C],
ASP352N49829[O], 12[P], 7[C], 1[N],
ASP352C2785[P], 19[O], 3[C],
THR353CA1985[P], 14[O],
THR353CB2481[N], 5[P], 18[O],
THR353CG21081[P], 9[O],
THR353N3286[P], 21[O], 1[N], 4[C],
THR353C781[P], 6[O],
THR353OG13084[C], 1[N], 18[O], 7[P],
LEU354N881[P], 7[O],
THR371C281[P], 1[O],
THR371O581[P], 4[O],
THR371CA181[O],
GLY372N381[P], 2[O],
GLY372O581[P], 1[F], 3[O],
GLY372CA581[P], 4[O],
GLY372C982[C], 5[O], 1[F], 1[P],
GLY373N1983[F], 3[P], 7[O], 6[C],
GLY373O1785[C], 8[O], 2[P], 2[F],
GLY373CA2886[C], 13[O], 5[P], 4[F],
GLY373C1986[C], 3[F], 3[P], 7[O],
GLY374N1986[C], 3[F], 3[P], 7[O],
GLY374O181[O],
GLY374CA1685[C], 3[F], 2[P], 6[O],
GLY374C481[P], 1[F], 2[O],
ALA375N483[O], 1[P],
ALA375CA181[O],
LEU377CD21288[O], 2[P], 2[F],
LEU377CB281[F], 1[O],
LEU377CG181[O],
LEU377CD1383[O],
Total = 190



Download csv file of statistical distribution of contacts