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: 7MN_B_4(3PR2) / Model_103(3PR2/B) = [10.8] Download659.868.21MIDYTQFPDANGHFGIHGGRFVSETLMAALEDLENLYSRMKNDEQFLAEFDRDLAYYVGRPSPLYYAERWSKELGGAQIYLKREDLNHTGSHKVNNTIGQALLAKLSGKKRIIAETGAGQHGVATATIAARLGLECVVYMGAEDVKRQAMNVYRMRLLGATVVPVQSGSKTLKDAMNEAMRDWVTNVDTTYYVIGTVAGPHPYPQLVRDFQSIIGREARKQILEQAGRLPDALVACVGGGSNAMGLFYPFLNDASVKMYGVEAAGFGIETGKHSAPLNAGHVGVLHGNRTYLMSDEQGQIIETHSISAGLDYPGVGPEHSFLKDMKRVEYVPINDTGALQGFRDLTKIEGIIPALESSHAMAYVSKLAPTMSKDQIIIATVSGRGDKDLMTVARIDGVEMVEM
Complex: 1D0_B_5(4HPJ) / Model_113(4HPJ/B) = [10.4] Download579.168.90MIDYTQFPDANGHFGIHGGRFVSETLMAALEDLENLYSRMKNDEQFLAEFDRDLAYYVGRPSPLYYAERWSKELGGAQIYLKREDLNHTGSHKVNNTIGQALLAKLSGKKRIIAETGAGQHGVATATIAARLGLECVVYMGAEDVKRQAMNVYRMRLLGATVVPVQSGSKTLKDAMNEAMRDWVTNVDTTYYVIGTVAGPHPYPQLVRDFQSIIGREARKQILEQAGRLPDALVACVGGGSNAMGLFYPFLNDASVKMYGVEAAGFGIETGKHSAPLNAGHVGVLHGNRTYLMSDEQGQIIETHSISAGLDYPGVGPEHSFLKDMKRVEYVPINDTGALQGFRDLTKIEGIIPALESSHAMAYVSKLAPTMSKDQIIIATVSGRGDKDLMTVARIDGVEMVEM
Complex: AQ3_B_8(4KKX) / Model_110(4KKX/B) = [10.1] Download558.7011.15MIDYTQFPDANGHFGIHGGRFVSETLMAALEDLENLYSRMKNDEQFLAEFDRDLAYYVGRPSPLYYAERWSKELGGAQIYLKREDLNHTGSHKVNNTIGQALLAKLSGKKRIIAETGAGQHGVATATIAARLGLECVVYMGAEDVKRQAMNVYRMRLLGATVVPVQSGSKTLKDAMNEAMRDWVTNVDTTYYVIGTVAGPHPYPQLVRDFQSIIGREARKQILEQAGRLPDALVACVGGGSNAMGLFYPFLNDASVKMYGVEAAGFGIETGKHSAPLNAGHVGVLHGNRTYLMSDEQGQIIETHSISAGLDYPGVGPEHSFLKDMKRVEYVPINDTGALQGFRDLTKIEGIIPALESSHAMAYVSKLAPTMSKDQIIIATVSGRGDKDLMTVARIDGVEMVEM
Complex: PLT_B_4(2TYS) / Model_99(2TYS/B) = [9.9] Download631.8311.30MIDYTQFPDANGHFGIHGGRFVSETLMAALEDLENLYSRMKNDEQFLAEFDRDLAYYVGRPSPLYYAERWSKELGGAQIYLKREDLNHTGSHKVNNTIGQALLAKLSGKKRIIAETGAGQHGVATATIAARLGLECVVYMGAEDVKRQAMNVYRMRLLGATVVPVQSGSKTLKDAMNEAMRDWVTNVDTTYYVIGTVAGPHPYPQLVRDFQSIIGREARKQILEQAGRLPDALVACVGGGSNAMGLFYPFLNDASVKMYGVEAAGFGIETGKHSAPLNAGHVGVLHGNRTYLMSDEQGQIIETHSISAGLDYPGVGPEHSFLKDMKRVEYVPINDTGALQGFRDLTKIEGIIPALESSHAMAYVSKLAPTMSKDQIIIATVSGRGDKDLMTVARIDGVEMVEM
Complex: 0JO_B_8(4HPX) / Model_112(4HPX/B) = [9.3] Download507.286.67MIDYTQFPDANGHFGIHGGRFVSETLMAALEDLENLYSRMKNDEQFLAEFDRDLAYYVGRPSPLYYAERWSKELGGAQIYLKREDLNHTGSHKVNNTIGQALLAKLSGKKRIIAETGAGQHGVATATIAARLGLECVVYMGAEDVKRQAMNVYRMRLLGATVVPVQSGSKTLKDAMNEAMRDWVTNVDTTYYVIGTVAGPHPYPQLVRDFQSIIGREARKQILEQAGRLPDALVACVGGGSNAMGLFYPFLNDASVKMYGVEAAGFGIETGKHSAPLNAGHVGVLHGNRTYLMSDEQGQIIETHSISAGLDYPGVGPEHSFLKDMKRVEYVPINDTGALQGFRDLTKIEGIIPALESSHAMAYVSKLAPTMSKDQIIIATVSGRGDKDLMTVARIDGVEMVEM
Consensus
[pKd Mean = 10.10]		-587
(s=53)		9
(s=1)		MIDYTQFPDANGHFGIHGGRFVSETLMAALEDLENLYSRMKNDEQFLAEFDRDLAYYVGRPSPLYYAERWSKELGGAQIYLKREDLNHTGSHKVNNTIGQALLAKLSGKKRIIAETGAGQHGVATATIAARLGLECVVYMGAEDVKRQAMNVYRMRLLGATVVPVQSGSKTLKDAMNEAMRDWVTNVDTTYYVIGTVAGPHPYPQLVRDFQSIIGREARKQILEQAGRLPDALVACVGGGSNAMGLFYPFLNDASVKMYGVEAAGFGIETGKHSAPLNAGHVGVLHGNRTYLMSDEQGQIIETHSISAGLDYPGVGPEHSFLKDMKRVEYVPINDTGALQGFRDLTKIEGIIPALESSHAMAYVSKLAPTMSKDQIIIATVSGRGDKDLMTVARIDGVEMVEM



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]
GLU84O777[C],
GLU84CB1377[C], 6[N],
GLU84C777[C],
ASP85CA777[C],
ASP85CB777[C],
ASP85N777[C],
GLY90C2877[O], 21[C],
GLY90CA777[C],
GLY90O35721[C], 7[O], 7[N],
SER91CB84758[C], 13[O], 13[N],
SER91O28721[C], 7[O],
SER91CA50735[C], 8[O], 7[N],
SER91C4677[N], 32[C], 7[O],
SER91OG90713[N], 60[C], 17[O],
SER91N3477[O], 21[C], 6[N],
HIS92CB7977[N], 22[O], 43[C], 7[P],
HIS92NE214277[P], 16[N], 40[O], 79[C],
HIS92ND112177[P], 13[N], 62[C], 39[O],
HIS92C56714[O], 34[C], 8[N],
HIS92CG11177[P], 12[N], 57[C], 35[O],
HIS92N64713[O], 43[C], 8[N],
HIS92CE114277[P], 41[O], 78[C], 16[N],
HIS92CA5477[N], 14[O], 33[C],
HIS92O474[O],
HIS92CD2113713[N], 35[O], 58[C], 7[P],
LYS93CD168750[O], 94[C], 17[N], 7[P],
LYS93CG15477[P], 42[O], 88[C], 17[N],
LYS93CB131716[N], 42[O], 69[C], 4[P],
LYS93NZ174750[O], 100[C], 17[N], 7[P],
LYS93CA103714[N], 33[O], 53[C], 3[P],
LYS93CE174717[N], 50[O], 100[C], 7[P],
LYS93N100713[N], 32[O], 51[C], 4[P],
LYS93C675[O], 1[N],
ASN96OD1575[O],
ASN96ND2575[O],
ALA114C1171[N], 4[C], 6[O],
ALA114CB871[N], 4[O], 3[C],
ALA114O372[O], 1[N],
ALA114CA571[N], 2[O], 2[C],
GLU115CB4879[O], 35[C], 4[N],
GLU115OE26475[N], 44[C], 15[O],
GLU115C6275[N], 42[C], 15[O],
GLU115CD5574[N], 42[C], 9[O],
GLU115N24714[C], 8[O], 2[N],
GLU115CG60744[C], 12[O], 4[N],
GLU115OE13576[O], 25[C], 4[N],
GLU115O68715[O], 43[C], 10[N],
GLU115CA4279[O], 29[C], 4[N],
THR116CA74710[N], 49[C], 15[O],
THR116CB60710[N], 15[O], 35[C],
THR116C74749[C], 15[O], 10[N],
THR116N6579[N], 41[C], 15[O],
THR116OG176745[C], 21[O], 10[N],
THR116CG24578[N], 22[C], 15[O],
THR116O6078[N], 37[C], 15[O],
GLY117C78710[N], 20[O], 48[C],
GLY117CA86710[N], 20[O], 56[C],
GLY117O52718[O], 25[C], 9[N],
GLY117N88758[C], 20[O], 10[N],
ALA118O67742[C], 19[O], 6[N],
ALA118C79720[O], 50[C], 9[N],
ALA118N105710[N], 72[C], 23[O],
ALA118CA89712[N], 19[O], 58[C],
ALA118CB118715[N], 78[C], 25[O],
GLY119CA5879[N], 30[C], 19[O],
GLY119C63720[O], 34[C], 9[N],
GLY119N7279[N], 21[O], 42[C],
GLY119O38713[C], 19[O], 6[N],
GLN120NE24875[N], 30[C], 13[O],
GLN120OE152731[C], 13[O], 8[N],
GLN120CD78713[N], 17[O], 48[C],
GLN120CG102768[C], 21[O], 13[N],
GLN120CB109716[N], 72[C], 21[O],
GLN120CA87720[O], 56[C], 11[N],
GLN120C8579[N], 54[C], 22[O],
GLN120N8379[N], 54[C], 20[O],
GLN120O6877[N], 19[O], 42[C],
HIS121NE248713[O], 31[C], 4[N],
HIS121N97710[N], 22[O], 65[C],
HIS121CB99710[N], 31[O], 58[C],
HIS121CA81710[N], 22[O], 49[C],
HIS121CD262714[O], 38[C], 10[N],
HIS121CG75710[N], 20[O], 45[C],
HIS121ND161710[N], 14[O], 37[C],
HIS121O32714[O], 15[C], 3[N],
HIS121CE145713[O], 27[C], 5[N],
HIS121C53710[N], 23[C], 20[O],
GLY122C1776[C], 11[O],
GLY122N53710[N], 21[O], 22[C],
GLY122O575[O],
GLY122CA25712[O], 13[C],
VAL123CG2575[O],
VAL123CB676[O],
VAL123CA676[O],
VAL123N1776[C], 11[O],
ALA124N676[O],
ALA124CB676[O],
THR125OG1373[O],
VAL138CG1676[O],
TYR139O1271[N], 8[O], 3[C],
MET140CA171[O],
MET140SD777[O],
MET140CG777[O],
MET140CB474[O],
MET140CE19713[O], 6[C],
ASP144CB373[O],
ASP144OD21977[O], 12[C],
ASP144OD1372[O], 1[C],
ASP144CG473[O], 1[C],
GLN148CB474[O],
GLN148CD1772[N], 4[C], 11[O],
GLN148OE15775[N], 16[O], 36[C],
GLN148CG1276[O], 6[C],
ASN151OD11273[C], 9[O],
ASN151ND22874[N], 12[C], 12[O],
ASN151CB676[O],
ASN151CG11710[O], 1[C],
MET155SD373[O],
MET155CE11710[O], 1[C],
LEU172C3372[O], 30[C], 1[N],
LEU172N22720[C], 2[O],
LEU172CB62745[C], 10[O], 7[N],
LEU172O3272[O], 28[C], 2[N],
LEU172CD29872[P], 10[N], 62[C], 24[O],
LEU172CG74710[N], 49[C], 15[O],
LEU172CD180710[N], 18[O], 52[C],
LEU172CA5074[N], 9[O], 37[C],
LYS173N18718[C],
LYS173CA11711[C],
LYS173O171[C],
LYS173CB272[C],
LYS173C171[C],
ALA175C574[C], 1[N],
ALA175CB1271[N], 8[C], 3[O],
MET176SD2771[N], 24[C], 2[O],
MET176N14711[C], 2[O], 1[N],
MET176O171[C],
MET176CA1671[N], 13[C], 2[O],
MET176C272[C],
MET176CG20717[C], 2[O], 1[N],
MET176CE3572[O], 29[C], 4[N],
MET176CB2172[O], 18[C], 1[N],
TYR192CE2171[C],
TYR192CZ875[C], 2[O], 1[N],
TYR192CE1774[C], 2[O], 1[N],
VAL193O1271[N], 2[O], 9[C],
VAL193C572[C], 2[O], 1[N],
ILE194CB1671[N], 13[C], 2[O],
ILE194N774[C], 2[O], 1[N],
ILE194CD11771[N], 14[C], 2[O],
ILE194CG2972[O], 6[C], 1[N],
ILE194CA1771[N], 14[C], 2[O],
ILE194O20716[C], 2[O], 2[N],
ILE194C2774[N], 2[O], 21[C],
ILE194CG12671[N], 23[C], 2[O],
GLY195N58739[C], 15[O], 4[N],
GLY195C113754[C], 42[O], 10[N], 7[P],
GLY195O14377[P], 78[C], 48[O], 10[N],
GLY195CA9376[P], 10[N], 49[C], 28[O],
THR196CB12277[P], 35[O], 70[C], 10[N],
THR196OG111577[P], 10[N], 30[O], 68[C],
THR196CG290730[O], 48[C], 5[N], 7[P],
THR196C68727[C], 30[O], 4[N], 7[P],
THR196N9777[P], 7[N], 48[C], 35[O],
THR196CA9476[N], 30[O], 51[C], 7[P],
THR196O4677[P], 4[N], 9[O], 26[C],
VAL197O12712[O],
VAL197CA33721[O], 5[C], 7[P],
VAL197N6674[N], 30[O], 25[C], 7[P],
VAL197CB2877[P], 21[O],
VAL197CG22977[P], 22[O],
VAL197C28713[O], 10[C], 5[P],
VAL197CG11079[O], 1[P],
ALA198O878[C],
ALA198CB2971[N], 21[C], 7[O],
ALA198N2377[O], 16[C],
ALA198CA14712[C], 2[O],
ALA198C878[C],
GLY199N878[C],
GLY199CA171[C],
VAL207CG121714[O], 7[P],
VAL207CG2373[O],
VAL207CB777[O],
GLN211OE1777[O],
GLN211CB171[O],
GLN211CD1571[P], 14[O],
GLN211NE22076[P], 14[O],
GLN211CG15714[O], 1[P],
ILE214CD1777[O],
ALA235O878[O],
ALA235CB13712[O], 1[C],
ALA235C20713[O], 7[C],
ALA235CA272[O],
CYS236SG10677[P], 8[N], 56[C], 35[O],
CYS236N5477[P], 19[O], 21[C], 7[N],
CYS236CA57721[O], 22[C], 7[N], 7[P],
CYS236CB7677[N], 21[O], 41[C], 7[P],
CYS236O7577[N], 28[O], 33[C], 7[P],
CYS236C70728[O], 28[C], 7[N], 7[P],
VAL237N6777[P], 7[N], 25[C], 28[O],
VAL237C8077[P], 28[O], 40[C], 5[N],
VAL237CA6477[P], 24[C], 28[O], 5[N],
VAL237CG14277[P], 28[O], 7[C],
VAL237CB4277[P], 7[C], 28[O],
VAL237CG23076[C], 17[O], 7[P],
VAL237O6177[P], 26[C], 28[O],
GLY238CA125729[O], 74[C], 15[N], 7[P],
GLY238C11477[P], 8[N], 70[C], 29[O],
GLY238N116716[N], 28[O], 65[C], 7[P],
GLY238O84728[O], 46[C], 3[N], 7[P],
GLY239C7573[N], 37[C], 28[O], 7[P],
GLY239O6477[P], 28[O], 29[C],
GLY239CA9977[P], 4[N], 30[O], 58[C],
GLY239N120710[N], 73[C], 30[O], 7[P],
GLY240N96728[O], 58[C], 3[N], 7[P],
GLY240C5777[P], 28[O], 22[C],
GLY240CA6077[P], 28[O], 25[C],
GLY240O4277[C], 28[O], 7[P],
SER241OG145737[O], 84[C], 17[N], 7[P],
SER241C5877[P], 1[N], 22[C], 28[O],
SER241O3671[C], 28[O], 7[P],
SER241CA59728[O], 24[C], 7[P],
SER241N8777[P], 2[N], 28[O], 50[C],
SER241CB9074[N], 28[O], 51[C], 7[P],
ASN242CB10577[P], 8[N], 56[C], 34[O],
ASN242CA8077[N], 28[O], 38[C], 7[P],
ASN242CG9977[P], 56[C], 29[O], 7[N],
ASN242O31721[O], 3[C], 7[P],
ASN242OD19377[P], 50[C], 29[O], 7[N],
ASN242C6377[P], 7[N], 21[C], 28[O],
ASN242ND210877[P], 12[N], 34[O], 55[C],
ASN242N9277[P], 49[C], 28[O], 8[N],
ALA243N6175[N], 21[C], 28[O], 7[P],
ALA243CA29722[O], 7[P],
ALA243O474[O],
ALA243CB36727[O], 2[C], 7[P],
ALA243C2377[P], 16[O],
MET244CA676[O],
MET244N2877[P], 21[O],
MET244CB474[O],
MET244CG272[O],
GLY245N777[O],
VAL261O1177[O], 4[C],
HIS286ND1474[C],
HIS286CD2272[C],
HIS286NE2272[C],
HIS286CG373[C],
HIS286CB272[C],
HIS286CE1474[C],
SER307O2374[N], 2[O], 17[C],
SER307OG3271[O], 26[C], 5[N],
SER307CB44738[C], 6[N],
SER307C18712[C], 2[O], 4[N],
ALA308C101768[C], 24[O], 9[N],
ALA308CA54717[O], 31[C], 6[N],
ALA308CB4675[N], 23[C], 18[O],
ALA308O114778[C], 27[O], 9[N],
ALA308N3175[N], 5[O], 21[C],
GLY309O1747100[C], 50[O], 17[N], 7[P],
GLY309CA169746[O], 99[C], 17[N], 7[P],
GLY309C17377[P], 50[O], 99[C], 17[N],
GLY309N131716[N], 27[O], 88[C],
LEU310CD16577[N], 44[C], 14[O],
LEU310CA11677[P], 73[C], 20[O], 16[N],
LEU310CB8777[P], 12[N], 53[C], 15[O],
LEU310CD213377[P], 15[N], 75[C], 36[O],
LEU310CG10677[P], 57[C], 29[O], 13[N],
LEU310N13977[P], 32[O], 84[C], 16[N],
LEU310O38715[O], 23[C],
LEU310C7871[P], 16[O], 54[C], 7[N],
ASP311OD11478[C], 5[O], 1[N],
ASP311CA1871[O], 16[C], 1[N],
ASP311CB875[C], 2[O], 1[N],
ASP311N65748[C], 9[O], 8[N],
ASP311C22721[C], 1[O],
ASP311O26724[C], 2[O],
ASP311CG1073[O], 6[C], 1[N],
ASP311OD2871[N], 4[C], 3[O],
TYR312O10710[C],
TYR312CB5472[P], 5[N], 12[O], 35[C],
TYR312CZ2671[N], 2[O], 23[C],
TYR312CD23473[N], 24[C], 7[O],
TYR312CE223723[C],
TYR312CA2772[O], 25[C],
TYR312CE12872[O], 24[C], 2[N],
TYR312N2971[N], 24[C], 4[O],
TYR312CD13772[O], 31[C], 4[N],
TYR312CG4474[N], 32[C], 7[O], 1[P],
TYR312C12712[C],
PRO313CD676[C],
PRO313N676[C],
GLY314N676[C],
GLY314O16711[C], 5[O],
GLY314C777[C],
GLY314CA575[C],
VAL315N676[C],
VAL315CG2777[O],
VAL315CB272[O],
VAL315CA1376[C], 7[O],
VAL315C575[C],
GLY316N1579[O], 6[C],
HIS319ND1171[O],
HIS319CG777[O],
HIS319CD224717[O], 7[P],
HIS319NE22877[P], 21[O],
HIS319CE110710[O],
PRO353C777[C],
PRO353O171[C],
ALA354N2277[N], 15[C],
ALA354CA4277[O], 28[C], 7[N],
ALA354C4075[O], 28[C], 7[N],
ALA354CB6178[N], 46[C], 7[O],
ALA354O2977[N], 22[C],
LEU355CA21714[C], 7[N],
LEU355N3775[O], 25[C], 7[N],
LEU355O2677[N], 19[C],
LEU355C45737[C], 1[O], 7[N],
GLU356CB11177[P], 13[N], 28[O], 63[C],
GLU356CD111723[O], 74[C], 14[N],
GLU356CA81711[N], 56[C], 14[O],
GLU356OE2115715[N], 26[O], 74[C],
GLU356O5677[N], 49[C],
GLU356N7078[N], 55[C], 7[O],
GLU356C70755[C], 8[O], 7[N],
GLU356CG135776[C], 36[O], 16[N], 7[P],
GLU356OE1104771[C], 20[O], 13[N],
SER357N6477[N], 50[C], 7[O],
SER357C28721[C], 7[N],
SER357CB4577[N], 37[C], 1[O],
SER357CA5377[N], 46[C],
SER357OG6377[N], 49[C], 7[O],
SER357O1174[C], 7[N],
SER358N2277[N], 15[C],
THR380C676[N],
THR380CG22077[O], 6[C], 7[N],
THR380O22715[C], 7[N],
VAL381CA1477[N], 7[C],
VAL381CG1272[C],
VAL381O21714[C], 7[N],
VAL381C2877[N], 21[C],
SER382CA7077[N], 14[O], 49[C],
SER382CB101756[C], 30[O], 8[N], 7[P],
SER382C64744[C], 13[O], 7[N],
SER382OG103756[C], 28[O], 12[N], 7[P],
SER382O65744[C], 14[O], 7[N],
SER382N4577[N], 37[C], 1[O],
GLY383N5677[O], 42[C], 7[N],
GLY383CA5677[O], 42[C], 7[N],
GLY383O37725[C], 5[O], 7[N],
GLY383C4277[N], 28[C], 7[O],
ARG384CA12712[C],
ARG384O3476[N], 21[C], 7[O],
ARG384CG777[C],
ARG384N35721[C], 7[O], 7[N],
ARG384CB777[C],
ARG384C14714[C],
GLY385CA777[C],
GLY385N777[C],
LYS387NZ85713[N], 58[C], 14[O],
LYS387CE85714[O], 58[C], 13[N],
LYS387CB474[O],
LYS387CG26718[C], 8[O],
LYS387CD67742[C], 14[O], 11[N],
ASP388CG171[C],
ASP388OD22376[O], 17[C],
Total = 365



Download csv file of statistical distribution of contacts