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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: B91_B_4(3KFA) / Model_41(3KFA/B) = [12.7] Download1433.5539.56MSAIQAAWPSGTECIAKYNFHGTAEQDLPFCKGDVLTIVAVTKDPNWYKAKNKVGREGIIPANYVQKREGVKAGTKLSLMPWFHGKITREQAERLLYPPETGLFLVRESTNYPGDYTLCVSCDGKVEHYRIMYHASKLSIDEEVYFENLMQLVEHYTSDADGLCTRLIKPKVMEGTVAAQDEFYRSGWALNMKELKLLQTIGKGEFGDVMLGDYRGNKVAVKCIKNDATAQAFLAEASVMTQLRHSNLVQLLGVIVEEKGGLYIVTEYMAKGSLVDYLRSRGRSVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDNVAKVSDFGLTKEASSTQDTGKLPVKWTAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPLKDVVPRVEKGYKMDAPDGCPPAVYEVMKNCWHLDAAMRPSFLQLREQLEHIKTHELHL
Complex: NIL_A_2(5MO4) / Model_8(5MO4/A) = [12.0] Download1342.4441.43MSAIQAAWPSGTECIAKYNFHGTAEQDLPFCKGDVLTIVAVTKDPNWYKAKNKVGREGIIPANYVQKREGVKAGTKLSLMPWFHGKITREQAERLLYPPETGLFLVRESTNYPGDYTLCVSCDGKVEHYRIMYHASKLSIDEEVYFENLMQLVEHYTSDADGLCTRLIKPKVMEGTVAAQDEFYRSGWALNMKELKLLQTIGKGEFGDVMLGDYRGNKVAVKCIKNDATAQAFLAEASVMTQLRHSNLVQLLGVIVEEKGGLYIVTEYMAKGSLVDYLRSRGRSVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDNVAKVSDFGLTKEASSTQDTGKLPVKWTAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPLKDVVPRVEKGYKMDAPDGCPPAVYEVMKNCWHLDAAMRPSFLQLREQLEHIKTHELHL
Complex: P16_A_3(2FO0) / Model_7(2FO0/A) = [9.2] Download1147.7130.19MSAIQAAWPSGTECIAKYNFHGTAEQDLPFCKGDVLTIVAVTKDPNWYKAKNKVGREGIIPANYVQKREGVKAGTKLSLMPWFHGKITREQAERLLYPPETGLFLVRESTNYPGDYTLCVSCDGKVEHYRIMYHASKLSIDEEVYFENLMQLVEHYTSDADGLCTRLIKPKVMEGTVAAQDEFYRSGWALNMKELKLLQTIGKGEFGDVMLGDYRGNKVAVKCIKNDATAQAFLAEASVMTQLRHSNLVQLLGVIVEEKGGLYIVTEYMAKGSLVDYLRSRGRSVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDNVAKVSDFGLTKEASSTQDTGKLPVKWTAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPLKDVVPRVEKGYKMDAPDGCPPAVYEVMKNCWHLDAAMRPSFLQLREQLEHIKTHELHL
Complex: 8E8_A_2(5P9J) / Model_37(5P9J/A) = [9.0] Download1226.2431.83MSAIQAAWPSGTECIAKYNFHGTAEQDLPFCKGDVLTIVAVTKDPNWYKAKNKVGREGIIPANYVQKREGVKAGTKLSLMPWFHGKITREQAERLLYPPETGLFLVRESTNYPGDYTLCVSCDGKVEHYRIMYHASKLSIDEEVYFENLMQLVEHYTSDADGLCTRLIKPKVMEGTVAAQDEFYRSGWALNMKELKLLQTIGKGEFGDVMLGDYRGNKVAVKCIKNDATAQAFLAEASVMTQLRHSNLVQLLGVIVEEKGGLYIVTEYMAKGSLVDYLRSRGRSVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDNVAKVSDFGLTKEASSTQDTGKLPVKWTAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPLKDVVPRVEKGYKMDAPDGCPPAVYEVMKNCWHLDAAMRPSFLQLREQLEHIKTHELHL
Complex: STU_A_4(3D7T) / Model_4(3D7T/A) = [8.1] Download1177.9920.11MSAIQAAWPSGTECIAKYNFHGTAEQDLPFCKGDVLTIVAVTKDPNWYKAKNKVGREGIIPANYVQKREGVKAGTKLSLMPWFHGKITREQAERLLYPPETGLFLVRESTNYPGDYTLCVSCDGKVEHYRIMYHASKLSIDEEVYFENLMQLVEHYTSDADGLCTRLIKPKVMEGTVAAQDEFYRSGWALNMKELKLLQTIGKGEFGDVMLGDYRGNKVAVKCIKNDATAQAFLAEASVMTQLRHSNLVQLLGVIVEEKGGLYIVTEYMAKGSLVDYLRSRGRSVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDNVAKVSDFGLTKEASSTQDTGKLPVKWTAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPLKDVVPRVEKGYKMDAPDGCPPAVYEVMKNCWHLDAAMRPSFLQLREQLEHIKTHELHL
Consensus
[pKd Mean = 10.20]		-1265
(s=106)		32
(s=7)		MSAIQAAWPSGTECIAKYNFHGTAEQDLPFCKGDVLTIVAVTKDPNWYKAKNKVGREGIIPANYVQKREGVKAGTKLSLMPWFHGKITREQAERLLYPPETGLFLVRESTNYPGDYTLCVSCDGKVEHYRIMYHASKLSIDEEVYFENLMQLVEHYTSDADGLCTRLIKPKVMEGTVAAQDEFYRSGWALNMKELKLLQTIGKGEFGDVMLGDYRGNKVAVKCIKNDATAQAFLAEASVMTQLRHSNLVQLLGVIVEEKGGLYIVTEYMAKGSLVDYLRSRGRSVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDNVAKVSDFGLTKEASSTQDTGKLPVKWTAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPLKDVVPRVEKGYKMDAPDGCPPAVYEVMKNCWHLDAAMRPSFLQLREQLEHIKTHELHL



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]
GLN199NE24114[C],
GLN199CG1111[C],
GLN199OE13113[C],
GLN199CD3113[C],
THR200CG27114[C], 3[O],
ILE201CG220211140[C], 1[P], 46[N], 14[O], 1[S],
ILE201CG121011145[C], 1[F], 49[N], 13[O], 1[S],
ILE201CD1217111[S], 12[O], 50[N], 1[F], 152[C],
LYS203CE1111[C],
LYS203CG28112[N], 1[F], 2[P], 16[C], 7[O],
LYS203CD4113[C], 1[F],
GLU205OE213116[O], 1[N], 3[C], 3[P],
GLU205OE118115[O], 3[P], 8[C], 2[N],
GLU205CD16111[N], 3[P], 4[C], 8[O],
GLU205CG221112[O], 1[N], 5[C], 4[P],
PHE206CZ651113[N], 45[C], 1[P], 4[O], 1[S],
PHE206CD164111[S], 3[O], 14[N], 45[C],
PHE206CG72111[P], 50[C], 12[N], 1[S], 7[O],
PHE206CE1611114[N], 44[C], 2[O], 1[S],
PHE206CE284111[S], 7[O], 15[N], 1[P], 59[C],
PHE206CD287111[S], 10[O], 1[P], 60[C], 14[N],
ASP208CG3112[O], 1[C],
ASP208OD14111[C], 1[F], 2[O],
VAL209CG12691121[O], 1[S], 50[N], 192[C], 1[F], 2[P],
VAL209CG22631144[N], 182[C], 1[F], 5[P], 28[O], 1[S],
LEU211CD237111[O], 10[N], 26[C],
LEU211CG46111[O], 30[C], 15[N],
LEU211CD1781151[C], 25[N], 2[O],
VAL219CG23113[C],
VAL221CG2111111[C],
VAL221CG1151114[C],
LYS222CE167115[P], 1[F], 115[C], 21[N], 1[S], 22[O],
LYS222NZ183111[S], 23[O], 25[N], 1[F], 5[P], 126[C],
LYS222CG1421118[N], 104[C], 1[F], 2[P], 15[O], 1[S],
LYS222CD15811112[C], 3[P], 1[F], 20[N], 19[O], 1[S],
ILE224CG12112[C],
ILE224CD110111[O], 9[C],
PHE233CG2112[C],
PHE233CE121112[O], 18[C],
PHE233CE25115[C],
PHE233CZ18111[O], 17[C],
PHE233CD17117[C],
PHE233CD21111[C],
GLU236OE167113[O], 10[N], 2[F], 51[C],
GLU236OE280118[N], 63[C], 2[F], 4[O], 1[S],
GLU236CG551143[C], 8[N], 3[O],
GLU236CD67114[O], 1[S], 8[N], 52[C],
VAL239CG134116[F], 22[C], 6[N],
VAL239CG221114[N], 1[F], 16[C],
MET240CG61116[N], 6[F], 46[C], 2[O],
MET240CE76114[O], 1[S], 5[N], 59[C], 5[F],
MET240SD74113[O], 1[S], 54[C], 6[F], 8[N],
LEU243CG25116[F], 16[C], 3[N],
LEU243CD2181111[C], 5[F], 2[N],
LEU243CD134115[N], 6[F], 22[C], 1[O],
LEU248CG161110[C], 6[F],
LEU248CD114116[F], 8[C],
LEU248CD221116[F], 13[C], 2[O],
VAL249CG2159111[S], 5[O], 32[N], 4[F], 115[C],
VAL249CG1178111[S], 5[O], 6[F], 129[C], 35[N],
LEU251CG23111[O], 22[C],
LEU251CD141111[O], 36[C], 3[N],
LEU251CD211111[O], 10[C],
LEU252CG1111[C],
LEU252CD12112[C],
VAL254CG21111[C],
ILE264CG272114[O], 61[C], 5[N],
ILE264CD164112[O], 57[C], 4[N],
ILE264CG1461142[C], 2[N], 1[O],
VAL265CG2111111[C],
VAL265CG1111111[C],
THR266OG118111128[C], 45[N], 5[O], 1[S],
THR266CG215011112[C], 29[N], 1[S], 6[O],
GLU267OE215115[C], 10[N],
GLU267CG591139[C], 19[N], 1[O],
GLU267CD271112[C], 15[N],
GLU267OE116116[C], 10[N],
TYR268CE1147113[O], 102[C], 42[N],
TYR268CG1131133[N], 78[C], 2[O],
TYR268CE2931162[C], 29[N], 2[O],
TYR268CD292112[O], 61[C], 29[N],
TYR268CD11531144[N], 107[C], 2[O],
TYR268CZ1121133[N], 77[C], 2[O],
MET269CE511128[C], 22[N], 1[O],
MET269CG1491142[N], 105[C], 1[O],
MET269SD79111[O], 29[N], 49[C],
LYS271CG9119[C],
LYS271CD6116[C],
SER273OG115112[P], 1[F], 78[C], 18[N], 16[O],
VAL275CG27113[O], 3[C], 1[N],
VAL275CG18113[C], 2[N], 3[O],
ASP276OD2841114[O], 9[N], 1[F], 60[C],
ASP276OD133118[O], 3[N], 22[C],
ASP276CG50118[O], 6[N], 36[C],
ARG279CZ1111[C],
MET302SD7115[F], 2[C],
MET302CE4114[F],
TYR304CE24114[F],
TYR304CD22112[F],
LEU305CD215116[F], 9[C],
LEU305CD114118[C], 6[F],
LEU305CG12116[C], 6[F],
PHE310CE133116[F], 23[C], 4[N],
PHE310CD127116[F], 17[C], 4[N],
PHE310CZ34116[F], 24[C], 4[N],
PHE310CD229114[N], 19[C], 6[F],
PHE310CE232116[F], 22[C], 4[N],
PHE310CG24114[N], 6[F], 14[C],
HIS312ND119111[N], 11[C], 6[F], 1[O],
HIS312CG22112[N], 14[C], 6[F],
HIS312CD228112[O], 17[C], 6[F], 3[N],
HIS312NE236116[F], 24[C], 4[N], 2[O],
HIS312CE132114[O], 2[N], 20[C], 6[F],
ARG313CD3111[N], 2[C],
ASP314CG14119[O], 1[N], 1[C], 3[P],
ASP314OD2201112[O], 5[P], 2[C], 1[N],
ASP314OD111117[O], 1[N], 3[P],
LEU315CD12112[F],
ARG318CG391113[O], 18[C], 4[P], 4[N],
ARG318NE20119[O], 2[N], 3[P], 6[C],
ARG318CD321113[O], 4[N], 4[P], 11[C],
ARG318CZ14118[O], 2[C], 2[P], 2[N],
ASN319ND2291114[O], 8[C], 5[P], 1[F], 1[N],
ASN319CG49113[N], 21[C], 5[P], 2[F], 18[O],
ASN319OD1911122[O], 1[S], 11[N], 49[C], 5[P], 2[F],
LEU321CD12631152[N], 1[F], 1[P], 189[C], 1[S], 17[O],
LEU321CD2261111[S], 22[O], 2[P], 1[F], 182[C], 52[N],
LEU321CG2471116[O], 1[S], 51[N], 177[C], 1[F],
SER323OG1111[N],
VAL330CG120112[O], 6[F], 12[C],
VAL330CG28116[F], 2[C],
SER331OG224111[S], 15[O], 42[N], 4[P], 6[F], 155[C],
ASP332CG1531198[C], 5[P], 6[F], 21[N], 21[O], 1[S],
ASP332OD1152115[P], 7[F], 97[C], 20[N], 1[S], 20[O],
ASP332OD21701124[O], 1[S], 22[N], 111[C], 5[P], 6[F],
PHE333CE1671111[N], 48[C], 1[F], 5[O], 1[S],
PHE333CD2601147[C], 9[N], 3[O],
PHE333CG59119[N], 45[C], 4[O],
PHE333CD1651149[C], 1[F], 8[N], 5[O], 1[S],
PHE333CE2631149[C], 10[N], 3[O],
PHE333CZ621111[N], 46[C], 4[O],
LEU335CG151113[C], 2[O],
LEU335CD2221121[C], 1[O],
LEU335CD124117[O], 15[C], 2[P],
THR336CG21111[O],
THR336OG15113[O], 1[P], 1[N],
PRO349CD3112[O], 1[P],
PRO349CG3112[O], 1[P],
Total = 148



Download csv file of statistical distribution of contacts