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 :C2_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 C2_S1
Complex: COK_C_3(2GES) / Model_9(2GES/A) = [8.4] Download1583.3025.12MNDPMNYYRVAREEWREFYRNGQAPLTQDELDNIKSLNDRISMQDVRDIYVPLAHLIYLYMKEFESLFLSKGLFLHKYVEVPPFIIGIAGSVAVGKSTTARLLQTILSRTFKRRNVQLITTDGFLYPNRILKERGIMDRKGFPESYDMEMLIDFLNRVKSGQEEIKVPVYSHDVYDIIPDKYELIQQPDILIVEGINTLQLPANQQIYVSDFFDFSVYVDADPVLIEKWYLDRFGALLDTAFQNPENYYYRFAIGDREEAFKMAKDVWKNVNLKNLQEYILPTRGRADIILHKTENHIIDSIFMRKY
Complex: COA_A_2(2ZSD) / Model_18(2ZSD/A) = [8.3] Download1598.4524.81MNDPMNYYRVAREEWREFYRNGQAPLTQDELDNIKSLNDRISMQDVRDIYVPLAHLIYLYMKEFESLFLSKGLFLHKYVEVPPFIIGIAGSVAVGKSTTARLLQTILSRTFKRRNVQLITTDGFLYPNRILKERGIMDRKGFPESYDMEMLIDFLNRVKSGQEEIKVPVYSHDVYDIIPDKYELIQQPDILIVEGINTLQLPANQQIYVSDFFDFSVYVDADPVLIEKWYLDRFGALLDTAFQNPENYYYRFAIGDREEAFKMAKDVWKNVNLKNLQEYILPTRGRADIILHKTENHIIDSIFMRKY
Complex: ZVW_B_6(4BFW) / Model_45(4BFW/B) = [8.0] Download1504.5039.25MNDPMNYYRVAREEWREFYRNGQAPLTQDELDNIKSLNDRISMQDVRDIYVPLAHLIYLYMKEFESLFLSKGLFLHKYVEVPPFIIGIAGSVAVGKSTTARLLQTILSRTFKRRNVQLITTDGFLYPNRILKERGIMDRKGFPESYDMEMLIDFLNRVKSGQEEIKVPVYSHDVYDIIPDKYELIQQPDILIVEGINTLQLPANQQIYVSDFFDFSVYVDADPVLIEKWYLDRFGALLDTAFQNPENYYYRFAIGDREEAFKMAKDVWKNVNLKNLQEYILPTRGRADIILHKTENHIIDSIFMRKY
Complex: ZVU_B_6(4BFU) / Model_49(4BFU/B) = [8.0] Download909.8237.96MNDPMNYYRVAREEWREFYRNGQAPLTQDELDNIKSLNDRISMQDVRDIYVPLAHLIYLYMKEFESLFLSKGLFLHKYVEVPPFIIGIAGSVAVGKSTTARLLQTILSRTFKRRNVQLITTDGFLYPNRILKERGIMDRKGFPESYDMEMLIDFLNRVKSGQEEIKVPVYSHDVYDIIPDKYELIQQPDILIVEGINTLQLPANQQIYVSDFFDFSVYVDADPVLIEKWYLDRFGALLDTAFQNPENYYYRFAIGDREEAFKMAKDVWKNVNLKNLQEYILPTRGRADIILHKTENHIIDSIFMRKY
Complex: ZVT_A_4(4BFT) / Model_52(4BFT/A) = [7.3] Download972.2733.93MNDPMNYYRVAREEWREFYRNGQAPLTQDELDNIKSLNDRISMQDVRDIYVPLAHLIYLYMKEFESLFLSKGLFLHKYVEVPPFIIGIAGSVAVGKSTTARLLQTILSRTFKRRNVQLITTDGFLYPNRILKERGIMDRKGFPESYDMEMLIDFLNRVKSGQEEIKVPVYSHDVYDIIPDKYELIQQPDILIVEGINTLQLPANQQIYVSDFFDFSVYVDADPVLIEKWYLDRFGALLDTAFQNPENYYYRFAIGDREEAFKMAKDVWKNVNLKNLQEYILPTRGRADIILHKTENHIIDSIFMRKY
Consensus
[pKd Mean = 8.00]		-1313
(s=306)		32
(s=6)		MNDPMNYYRVAREEWREFYRNGQAPLTQDELDNIKSLNDRISMQDVRDIYVPLAHLIYLYMKEFESLFLSKGLFLHKYVEVPPFIIGIAGSVAVGKSTTARLLQTILSRTFKRRNVQLITTDGFLYPNRILKERGIMDRKGFPESYDMEMLIDFLNRVKSGQEEIKVPVYSHDVYDIIPDKYELIQQPDILIVEGINTLQLPANQQIYVSDFFDFSVYVDADPVLIEKWYLDRFGALLDTAFQNPENYYYRFAIGDREEAFKMAKDVWKNVNLKNLQEYILPTRGRADIILHKTENHIIDSIFMRKY



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]
ILE34CG21121[O],
LYS35CG2122[O],
SER36OG301210[C], 17[O], 3[P],
LEU37CD220128[C], 3[N], 8[O], 1[P],
LEU37CG14122[P], 8[O], 4[C],
LEU37CD15124[O], 1[P],
ASN38ND214121[F], 5[C], 6[O], 2[P],
ASN38OD111126[O], 1[P], 1[F], 3[C],
ASN38CG11121[F], 4[C], 5[O], 1[P],
ASP39OD23123[O],
ASP39CG2122[O],
ARG40NE1121[F],
ARG40CZ3121[F], 2[C],
SER91OG8121[F], 2[P], 5[O],
VAL92CG1316124[P], 47[O], 42[N], 200[C], 3[S], 19[F],
VAL92CG2266124[P], 40[O], 37[N], 165[C], 19[F],
VAL94CG18126[O], 2[P],
LYS96CG24124[P], 15[O], 5[C],
LYS96CD20124[P], 14[O], 2[C],
LYS96CE52124[F], 29[C], 15[O], 4[P],
LYS96NZ80125[F], 50[C], 20[O], 4[P],
SER97OG491214[C], 2[N], 1[F], 6[P], 26[O],
THR98CG27125[O], 2[P],
THR98OG113122[P], 8[O], 3[C],
ARG101CZ21128[C], 11[O], 2[P],
ARG101CD10128[O], 2[P],
ARG101CG7122[P], 5[O],
ARG101NE14128[O], 2[P], 4[C],
THR120OG125123[O], 22[C],
THR120CG214124[C], 2[P], 8[O],
THR121OG1311222[C], 7[O], 2[P],
ASP122OD21371284[C], 5[N], 14[F], 4[P], 29[O],
ASP122CG117123[P], 22[O], 3[N], 76[C], 12[F],
ASP122OD11151222[O], 3[P], 13[F], 4[N], 72[C],
LEU125CD11341214[N], 85[C], 10[F], 2[P], 22[O],
LEU125CD21031214[O], 1[F], 13[N], 75[C],
LEU125CG931272[C], 8[N], 1[F], 12[O],
ASN128OD17125[C], 1[F], 1[O],
ASN128ND21121[O],
ASN128CG1121[O],
LEU131CD24121[F], 3[C],
MET137CG12122[N], 10[C],
MET137SD18122[N], 16[C],
MET137CE271224[C], 3[N],
ASP138CG121210[C], 2[N],
ASP138OD18126[C], 2[N],
ASP138OD28126[C], 2[N],
ARG139CG1121[N],
LYS140CG1891228[N], 133[C], 8[F], 19[O],
LYS140NZ153125[F], 22[N], 112[C], 14[O],
LYS140CE1801218[O], 6[F], 25[N], 131[C],
LYS140CD2001219[O], 8[F], 29[N], 143[C],
PHE142CD127122[O], 1[F], 18[C], 6[N],
PHE142CZ2122[C],
PHE142CE1231216[C], 5[N], 2[O],
SER145OG51121[O], 1[F], 43[C], 6[N],
TYR146CG131213[C],
TYR146CE152125[O], 46[C], 1[F],
TYR146CE263122[P], 7[O], 2[N], 51[C], 1[F],
TYR146CD1241222[C], 1[F], 1[O],
TYR146CD227121[O], 1[F], 25[C],
TYR146CZ77121[F], 61[C], 2[N], 11[O], 2[P],
TYR170CE21641222[O], 2[P], 14[F], 101[C], 24[N],
TYR170CD21211212[F], 78[C], 8[N], 20[O], 2[P],
TYR170CZ151122[P], 18[O], 21[N], 97[C], 12[F],
TYR170CG781211[O], 2[N], 60[C], 5[F],
TYR170CD168123[F], 53[C], 4[N], 8[O],
TYR170CE11031214[O], 7[F], 8[N], 74[C],
SER171OG4122[C], 2[N],
HIS172ND119612119[C], 18[N], 14[F], 6[P], 38[O],
HIS172NE2217126[P], 42[O], 130[C], 22[N], 16[F],
HIS172CG1981214[F], 122[C], 14[N], 41[O], 6[P],
HIS172CE11991241[O], 6[P], 14[F], 120[C], 17[N],
HIS172CD22391243[O], 6[P], 16[F], 145[C], 28[N],
ASP173CG14126[N], 8[C],
ASP173OD29124[N], 5[C],
ASP173OD1211211[C], 10[N],
TYR175CD127612183[C], 43[N], 9[S], 12[F], 28[O],
TYR175CD21691215[O], 116[C], 26[N], 8[S], 4[F],
TYR175CZ2511213[F], 8[S], 41[N], 162[C], 26[O],
TYR175CE12881242[N], 188[C], 9[S], 16[F], 32[O],
TYR175CE21961234[N], 130[C], 8[S], 5[F], 19[O],
TYR175CG2091219[O], 8[F], 8[S], 137[C], 36[N],
GLU194OE134129[C], 1[F], 5[P], 19[O],
GLU194CD27128[C], 15[O], 4[P],
GLU194OE247124[P], 19[O], 21[C], 3[F],
GLU194CG11126[O], 3[P], 2[C],
ILE196CG11181220[O], 4[P], 10[F], 9[N], 74[C],
ILE196CG236122[P], 7[O], 27[C],
ILE196CD11561231[O], 4[P], 13[F], 13[N], 94[C],
ASN197ND23121[C], 2[O],
ASN197CG1121[C],
ASN197OD16126[C],
ILE226CG26121[O], 5[F],
TRP229CG2122[F],
TYR230CD1199122[P], 23[O], 30[N], 118[C], 9[S], 16[F],
TYR230CE21701210[F], 9[S], 112[C], 24[N], 15[O],
TYR230CD21321215[O], 6[F], 9[S], 18[N], 84[C],
TYR230CG1301278[C], 15[N], 8[S], 11[F], 17[O],
TYR230CE1265122[P], 30[O], 167[C], 38[N], 9[S], 18[F],
TYR230CZ2441226[O], 15[F], 9[S], 37[N], 156[C],
LEU231CG1121[C],
LEU231CD21121[C],
ARG233NE1311230[O], 4[P], 11[F], 2[S], 10[N], 73[C],
ARG233CZ1461213[F], 2[S], 77[C], 10[N], 37[O], 6[P],
ARG233CD128124[P], 29[O], 76[C], 7[N], 1[S], 11[F],
ARG233CG104127[N], 67[C], 2[S], 6[F], 1[P], 21[O],
PHE234CE2104129[S], 11[N], 76[C], 8[O],
PHE234CD11341218[N], 89[C], 9[S], 3[F], 15[O],
PHE234CZ1031212[O], 9[S], 67[C], 15[N],
PHE234CG1201214[O], 5[F], 9[S], 14[N], 78[C],
PHE234CD21111278[C], 12[N], 9[S], 2[F], 10[O],
PHE234CE1129129[S], 17[N], 88[C], 15[O],
LEU237CD21141211[N], 78[C], 4[S], 5[F], 16[O],
LEU237CG1171211[N], 79[C], 9[S], 5[F], 13[O],
LEU237CD11631222[N], 99[C], 9[S], 16[F], 16[O],
THR240CG24121[O], 2[N], 1[C],
THR240OG16121[O], 3[C], 2[N],
PHE242CD267129[O], 5[N], 44[C], 9[S],
PHE242CD1851257[C], 9[N], 9[S], 10[O],
PHE242CE21041211[O], 9[S], 73[C], 11[N],
PHE242CZ1481212[O], 9[S], 26[N], 101[C],
PHE242CE11351223[N], 92[C], 9[S], 11[O],
PHE242CG65129[S], 42[C], 6[N], 8[O],
ASN247CG20122[S], 6[N], 12[C],
ASN247OD130121[O], 3[S], 8[N], 18[C],
ASN247ND234125[N], 24[C], 2[S], 3[O],
TYR248CZ7127[C],
TYR248CE220121[F], 1[S], 4[N], 14[C],
TYR248CG7122[N], 5[C],
TYR248CD2231216[C], 5[N], 2[S],
TYR248CD13122[N], 1[C],
TYR248CE11121[N],
TYR249CE21881221[O], 4[F], 9[S], 119[C], 35[N],
TYR249CZ2241225[O], 141[C], 42[N], 9[S], 7[F],
TYR249CG1231282[C], 21[N], 9[S], 11[O],
TYR249CE1217124[F], 9[S], 39[N], 143[C], 22[O],
TYR249CD1154122[F], 9[S], 101[C], 25[N], 17[O],
TYR249CD2145122[F], 9[S], 22[N], 96[C], 16[O],
PHE252CE2661249[C], 5[N], 9[S], 1[F], 2[O],
PHE252CZ69126[N], 51[C], 9[S], 1[F], 2[O],
PHE252CD251129[S], 37[C], 3[N], 2[O],
PHE252CD145123[O], 9[S], 32[C], 1[N],
PHE252CG351224[C], 9[S], 2[O],
PHE252CE1581241[C], 5[N], 9[S], 1[F], 2[O],
MET263CG3123[C],
MET263SD1121[C],
MET263CE9127[C], 1[F], 1[S],
VAL267CG12231225[O], 4[F], 9[S], 36[N], 149[C],
VAL267CG21511212[O], 1[F], 9[S], 103[C], 26[N],
TRP268CZ332126[F], 7[N], 16[C], 3[O],
TRP268CD22122[O],
TRP268CG1121[O],
TRP268CE344126[O], 20[C], 12[N], 6[F],
ASN270CG1121[F],
ASN270ND21121[F],
VAL271CG1180126[F], 38[N], 120[C], 16[O],
VAL271CG21291237[N], 84[C], 1[F], 7[O],
ASN272OD1275122[P], 32[O], 182[C], 37[N], 5[S], 16[F],
ASN272ND229612197[C], 38[N], 9[S], 19[F], 32[O],
ASN272CG2841219[F], 7[S], 38[N], 189[C], 30[O],
ASN275ND269121[F], 54[C], 9[N], 5[O],
ASN275CG14122[O], 10[C], 2[N],
ILE280CD13121[C], 2[O],
Total = 164



Download csv file of statistical distribution of contacts