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 :C3_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 C3_S1
Complex: COK_C_3(2GES) / Model_81(2GES/A) = [9.4] Download1615.6923.41MTNEFLHFEKISRQTWQSLHRKTTPPLTEEELESIKSFNDQISLQDVTDIYLPLAHLIQIYKRTKEDLAFSKGIFLQRESKSQPFIIGVSGSVAVGKSTTSRLLQILLSRTFTDATVELVTTDGFLYPNQTLIEQGILNRKGFPESYDMEALLNFLDRIKNGQDVDIPVYSHEVYDIVPEEKQSVKAADFVIVEGINVFQNPQNDRLYITDFFDFSIYVDAGVDDIESWYLDRFLKMLSLAQNDPDSYYYRFTQMPIGEVEAFAHQVWTSINLTNLQNYIEPTRNRAEVILHKSKNHEIDEIYLKK
Complex: ZVW_B_6(4BFW) / Model_28(4BFW/B) = [8.5] Download1680.5138.90MTNEFLHFEKISRQTWQSLHRKTTPPLTEEELESIKSFNDQISLQDVTDIYLPLAHLIQIYKRTKEDLAFSKGIFLQRESKSQPFIIGVSGSVAVGKSTTSRLLQILLSRTFTDATVELVTTDGFLYPNQTLIEQGILNRKGFPESYDMEALLNFLDRIKNGQDVDIPVYSHEVYDIVPEEKQSVKAADFVIVEGINVFQNPQNDRLYITDFFDFSIYVDAGVDDIESWYLDRFLKMLSLAQNDPDSYYYRFTQMPIGEVEAFAHQVWTSINLTNLQNYIEPTRNRAEVILHKSKNHEIDEIYLKK
Complex: COA_A_2(2ZSD) / Model_13(2ZSD/A) = [8.3] Download1771.4123.98MTNEFLHFEKISRQTWQSLHRKTTPPLTEEELESIKSFNDQISLQDVTDIYLPLAHLIQIYKRTKEDLAFSKGIFLQRESKSQPFIIGVSGSVAVGKSTTSRLLQILLSRTFTDATVELVTTDGFLYPNQTLIEQGILNRKGFPESYDMEALLNFLDRIKNGQDVDIPVYSHEVYDIVPEEKQSVKAADFVIVEGINVFQNPQNDRLYITDFFDFSIYVDAGVDDIESWYLDRFLKMLSLAQNDPDSYYYRFTQMPIGEVEAFAHQVWTSINLTNLQNYIEPTRNRAEVILHKSKNHEIDEIYLKK
Complex: ZVU_B_6(4BFU) / Model_32(4BFU/B) = [7.9] Download877.6538.79MTNEFLHFEKISRQTWQSLHRKTTPPLTEEELESIKSFNDQISLQDVTDIYLPLAHLIQIYKRTKEDLAFSKGIFLQRESKSQPFIIGVSGSVAVGKSTTSRLLQILLSRTFTDATVELVTTDGFLYPNQTLIEQGILNRKGFPESYDMEALLNFLDRIKNGQDVDIPVYSHEVYDIVPEEKQSVKAADFVIVEGINVFQNPQNDRLYITDFFDFSIYVDAGVDDIESWYLDRFLKMLSLAQNDPDSYYYRFTQMPIGEVEAFAHQVWTSINLTNLQNYIEPTRNRAEVILHKSKNHEIDEIYLKK
Complex: ZVT_A_4(4BFT) / Model_35(4BFT/A) = [7.3] Download923.7132.41MTNEFLHFEKISRQTWQSLHRKTTPPLTEEELESIKSFNDQISLQDVTDIYLPLAHLIQIYKRTKEDLAFSKGIFLQRESKSQPFIIGVSGSVAVGKSTTSRLLQILLSRTFTDATVELVTTDGFLYPNQTLIEQGILNRKGFPESYDMEALLNFLDRIKNGQDVDIPVYSHEVYDIVPEEKQSVKAADFVIVEGINVFQNPQNDRLYITDFFDFSIYVDAGVDDIESWYLDRFLKMLSLAQNDPDSYYYRFTQMPIGEVEAFAHQVWTSINLTNLQNYIEPTRNRAEVILHKSKNHEIDEIYLKK
Consensus
[pKd Mean = 8.28]
-1373
(s=389)
31
(s=6)
MTNEFLHFEKISRQTWQSLHRKTTPPLTEEELESIKSFNDQISLQDVTDIYLPLAHLIQIYKRTKEDLAFSKGIFLQRESKSQPFIIGVSGSVAVGKSTTSRLLQILLSRTFTDATVELVTTDGFLYPNQTLIEQGILNRKGFPESYDMEALLNFLDRIKNGQDVDIPVYSHEVYDIVPEEKQSVKAADFVIVEGINVFQNPQNDRLYITDFFDFSIYVDAGVDDIESWYLDRFLKMLSLAQNDPDSYYYRFTQMPIGEVEAFAHQVWTSINLTNLQNYIEPTRNRAEVILHKSKNHEIDEIYLKK



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]
ILE35CG21111[O],
LYS36CG2112[O],
SER37OG301110[C], 17[O], 3[P],
PHE38CE27116[O], 1[P],
PHE38CD133112[P], 14[C], 5[N], 12[O],
PHE38CD212112[P], 2[C], 8[O],
PHE38CG22112[P], 9[O], 3[N], 8[C],
PHE38CE130115[N], 12[C], 11[O], 2[P],
PHE38CZ16112[P], 2[N], 4[C], 8[O],
ASN39ND214111[F], 2[P], 5[C], 6[O],
ASN39CG11111[F], 1[P], 4[C], 5[O],
ASN39OD111111[P], 1[F], 6[O], 3[C],
ASP40CG2112[O],
ASP40OD23113[O],
SER92OG8112[P], 1[F], 5[O],
VAL93CG1302113[S], 4[P], 19[F], 43[O], 191[C], 41[N],
VAL93CG22521119[F], 4[P], 156[C], 36[N], 36[O],
VAL95CG18112[P], 6[O],
LYS97CG24114[P], 15[O], 5[C],
LYS97NZ761146[C], 20[O], 5[F], 4[P],
LYS97CE50114[F], 4[P], 27[C], 15[O],
LYS97CD20112[C], 14[O], 4[P],
SER98OG491126[O], 14[C], 2[N], 6[P], 1[F],
THR99CG27115[O], 2[P],
THR99OG113112[P], 3[C], 8[O],
SER101OG1111[O],
ARG102CZ21112[P], 11[O], 8[C],
ARG102NE14112[P], 8[O], 4[C],
ARG102CG7115[O], 2[P],
ARG102CD10118[O], 2[P],
THR121OG1251122[C], 3[O],
THR121CG214114[C], 8[O], 2[P],
THR122OG129112[P], 20[C], 7[O],
ASP123CG109113[P], 12[F], 20[O], 3[N], 70[C],
ASP123OD1108113[P], 13[F], 20[O], 4[N], 67[C],
ASP123OD21281114[F], 4[P], 5[N], 78[C], 26[O],
LEU126CD2931111[O], 69[C], 12[N], 1[F],
LEU126CD11241179[C], 13[N], 19[O], 10[F], 2[P],
LEU126CG851110[O], 66[C], 8[N], 1[F],
ASN129ND21111[O],
ASN129CG1111[O],
ASN129OD17111[O], 5[C], 1[F],
LEU132CD24113[C], 1[F],
ILE133CG11111[N],
LEU138CD1241122[C], 2[N],
LEU138CG171115[C], 2[N],
LEU138CD2141112[C], 2[N],
ASN139ND210112[N], 7[C], 1[F],
ASN139OD114112[N], 11[C], 1[F],
ASN139CG16112[N], 13[C], 1[F],
ARG140CG1111[N],
LYS141NZ145115[F], 21[N], 107[C], 12[O],
LYS141CG17611124[C], 27[N], 16[O], 8[F],
LYS141CE1681115[O], 123[C], 24[N], 6[F],
LYS141CD1871116[O], 28[N], 134[C], 8[F],
PHE143CZ2112[C],
PHE143CD123111[O], 16[C], 5[N], 1[F],
PHE143CE120114[N], 15[C], 1[O],
SER146OG45111[F], 38[C], 5[N], 1[O],
TYR147CE148115[O], 42[C], 1[F],
TYR147CD123111[O], 21[C], 1[F],
TYR147CD225111[F], 23[C], 1[O],
TYR147CZ68112[P], 1[F], 8[O], 2[N], 55[C],
TYR147CG131113[C],
TYR147CE258116[O], 47[C], 2[N], 2[P], 1[F],
TYR170CE198117[F], 8[N], 71[C], 12[O],
TYR170CD163113[F], 6[O], 4[N], 50[C],
TYR170CZ1421120[N], 91[C], 16[O], 12[F], 2[P],
TYR170CG73115[F], 57[C], 2[N], 9[O],
TYR170CE21551120[O], 23[N], 95[C], 2[P], 14[F],
TYR170CD2114112[P], 12[F], 18[O], 73[C], 8[N],
SER171OG4112[C], 2[N],
HIS172NE22071138[O], 22[N], 124[C], 6[P], 16[F],
HIS172CD2229116[P], 16[F], 39[O], 28[N], 139[C],
HIS172CG1921114[F], 6[P], 14[N], 118[C], 39[O],
HIS172ND11911118[N], 116[C], 36[O], 14[F], 6[P],
HIS172CE11921139[O], 115[C], 17[N], 6[P], 14[F],
GLU173CD6113[N], 3[C],
GLU173OE23111[C], 2[N],
GLU173OE14112[C], 2[N],
GLU173CG12116[N], 6[C],
TYR175CD2165114[F], 8[S], 114[C], 25[N], 14[O],
TYR175CE21891117[O], 126[C], 33[N], 8[S], 5[F],
TYR175CG2031117[O], 134[C], 35[N], 8[S], 8[F],
TYR175CD12631124[O], 175[C], 42[N], 9[S], 12[F],
TYR175CZ2381113[F], 8[S], 40[N], 154[C], 22[O],
TYR175CE12741128[O], 41[N], 179[C], 9[S], 16[F],
GLU194OE1341119[O], 9[C], 5[P], 1[F],
GLU194OE247114[P], 3[F], 19[O], 21[C],
GLU194CD271115[O], 8[C], 4[P],
GLU194CG11113[P], 2[C], 6[O],
ILE196CD11431113[F], 4[P], 86[C], 12[N], 27[O],
ILE196CG1110119[N], 68[C], 18[O], 10[F], 4[P],
ILE196CG233116[O], 25[C], 2[P],
ASN197CG1111[C],
ASN197OD16116[C],
ASN197ND22112[O],
ILE226CG26111[O], 5[F],
TRP229CG2112[F],
TYR230CD11931121[O], 114[C], 30[N], 2[P], 9[S], 16[F],
TYR230CD2129116[F], 9[S], 18[N], 82[C], 14[O],
TYR230CE21661114[O], 109[C], 24[N], 9[S], 10[F],
TYR230CE12571137[N], 162[C], 28[O], 18[F], 9[S], 2[P],
TYR230CZ236119[S], 15[F], 24[O], 151[C], 36[N],
TYR230CG1271115[N], 76[C], 16[O], 11[F], 8[S],
LEU231CD11111[C],
ARG233NE1301111[F], 4[P], 2[S], 10[N], 73[C], 29[O],
ARG233CZ144112[S], 6[P], 13[F], 36[O], 10[N], 76[C],
ARG233CG104116[F], 2[S], 1[P], 67[C], 7[N], 21[O],
ARG233CD1281176[C], 7[N], 29[O], 11[F], 4[P], 1[S],
PHE234CD21111110[O], 78[C], 12[N], 9[S], 2[F],
PHE234CG119115[F], 9[S], 78[C], 14[N], 13[O],
PHE234CD11311114[O], 18[N], 87[C], 9[S], 3[F],
PHE234CE2104119[S], 8[O], 11[N], 76[C],
PHE234CZ103119[S], 67[C], 15[N], 12[O],
PHE234CE1126119[S], 17[N], 86[C], 14[O],
MET237SD167119[S], 18[F], 20[O], 99[C], 20[N],
MET237CG114118[S], 5[F], 13[O], 11[N], 77[C],
MET237CE1741115[F], 2[P], 9[S], 19[N], 102[C], 26[O],
LEU240CD12112[O],
GLN242CD59119[S], 5[N], 37[C], 8[O],
GLN242OE123116[S], 4[O], 13[C],
GLN242CG60119[S], 38[C], 5[N], 8[O],
GLN242NE2861110[O], 5[N], 62[C], 9[S],
SER247OG18112[S], 10[C], 6[N],
TYR248CD13111[C], 2[N],
TYR248CE220111[F], 1[S], 4[N], 14[C],
TYR248CZ7117[C],
TYR248CD223112[S], 5[N], 16[C],
TYR248CE11111[N],
TYR248CG7112[N], 5[C],
TYR249CZ216119[S], 7[F], 23[O], 136[C], 41[N],
TYR249CD1154119[S], 2[F], 17[O], 25[N], 101[C],
TYR249CE21801134[N], 114[C], 19[O], 4[F], 9[S],
TYR249CE1213114[F], 9[S], 38[N], 141[C], 21[O],
TYR249CG1231111[O], 21[N], 82[C], 9[S],
TYR249CD2139112[F], 9[S], 21[N], 93[C], 14[O],
PHE252CZ69119[S], 1[F], 2[O], 51[C], 6[N],
PHE252CD243119[S], 4[N], 27[C], 3[O],
PHE252CE258119[S], 1[F], 3[O], 40[C], 5[N],
PHE252CD150119[S], 38[C], 3[O],
PHE252CG351124[C], 2[O], 9[S],
PHE252CE165114[N], 49[C], 2[O], 1[F], 9[S],
PHE263CG7114[C], 2[S], 1[F],
PHE263CD217114[N], 10[C], 1[F], 2[S],
PHE263CZ211114[C], 4[N], 2[S], 1[F],
PHE263CE1131110[C], 2[S], 1[F],
PHE263CD16112[S], 1[F], 3[C],
PHE263CE226116[N], 16[C], 1[O], 1[F], 2[S],
VAL267CG12161123[O], 35[N], 145[C], 9[S], 4[F],
VAL267CG2146119[S], 1[F], 11[O], 25[N], 100[C],
TRP268CD22112[O],
TRP268CG1111[O],
TRP268CE3421119[C], 12[N], 5[O], 6[F],
TRP268CZ331116[F], 3[O], 7[N], 15[C],
SER270OG181117[C], 1[F],
ILE271CD1146111[F], 3[S], 96[C], 36[N], 10[O],
ILE271CG2163114[F], 110[C], 37[N], 12[O],
ILE271CG1119111[F], 5[O], 36[N], 77[C],
ASN272CG2721119[F], 7[S], 181[C], 37[N], 27[O],
ASN272ND22831129[O], 37[N], 188[C], 9[S], 19[F],
ASN272OD12631129[O], 174[C], 36[N], 2[P], 5[S], 16[F],
ASN275ND265111[F], 4[O], 9[N], 51[C],
ASN275CG12111[O], 2[N], 9[C],
ILE280CD12112[O],
Total = 165



Download csv file of statistical distribution of contacts