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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ACP_B_5(1GQY) / Model_21(1GQY/B) = [10.0] Download1000.08-0.62MSPTTAANQAKKLIKVPEMRRIKHIHFVGIGGAGMCGIAEVLANQGYKISGSDINASKTTQQLEENGIKVYIGHEAENIKNANVLVVSTAIDPENPEVKAAIEQRIPIVRRAEMLGELMRYRHGIAVAGTHGKTTTTSLLTTMLAEENLDPTYVIGGLLNSTGVNAALGESRFIVAEADESDASFLYLQPMAAIVTNIDADHMDTYEGSFDKLKDTFVQFLHNLPFYGLAVVCGDDANIREILPRVGRPVITYGFNEDNDIRAIDVERDGMRSHFTVLRKGREPLRLTINQPGLHNVLNALAAIGVATDEGVSDEAISRALKGFSGVGRRFQVQGEFELGEGNVKLVDDYGHHPKEVEATIKAARQSHPDRRLVMLFQPHRYSRTRDCFDDFIEVLSQVDQLLLLEVYPAGEKPIVGADSRTLARSIRLRGQVEPILIDPVEGNLQNIMQNVLQPNDLLLTQGAGNVGAISVELAQHHLYVK
Complex: AMP_A_3(4HV4) / Model_2(4HV4/A) = [7.8] Download570.792.52MSPTTAANQAKKLIKVPEMRRIKHIHFVGIGGAGMCGIAEVLANQGYKISGSDINASKTTQQLEENGIKVYIGHEAENIKNANVLVVSTAIDPENPEVKAAIEQRIPIVRRAEMLGELMRYRHGIAVAGTHGKTTTTSLLTTMLAEENLDPTYVIGGLLNSTGVNAALGESRFIVAEADESDASFLYLQPMAAIVTNIDADHMDTYEGSFDKLKDTFVQFLHNLPFYGLAVVCGDDANIREILPRVGRPVITYGFNEDNDIRAIDVERDGMRSHFTVLRKGREPLRLTINQPGLHNVLNALAAIGVATDEGVSDEAISRALKGFSGVGRRFQVQGEFELGEGNVKLVDDYGHHPKEVEATIKAARQSHPDRRLVMLFQPHRYSRTRDCFDDFIEVLSQVDQLLLLEVYPAGEKPIVGADSRTLARSIRLRGQVEPILIDPVEGNLQNIMQNVLQPNDLLLTQGAGNVGAISVELAQHHLYVK
Consensus
[pKd Mean = 8.90]		-785
(s=214)		0
(s=1)		MSPTTAANQAKKLIKVPEMRRIKHIHFVGIGGAGMCGIAEVLANQGYKISGSDINASKTTQQLEENGIKVYIGHEAENIKNANVLVVSTAIDPENPEVKAAIEQRIPIVRRAEMLGELMRYRHGIAVAGTHGKTTTTSLLTTMLAEENLDPTYVIGGLLNSTGVNAALGESRFIVAEADESDASFLYLQPMAAIVTNIDADHMDTYEGSFDKLKDTFVQFLHNLPFYGLAVVCGDDANIREILPRVGRPVITYGFNEDNDIRAIDVERDGMRSHFTVLRKGREPLRLTINQPGLHNVLNALAAIGVATDEGVSDEAISRALKGFSGVGRRFQVQGEFELGEGNVKLVDDYGHHPKEVEATIKAARQSHPDRRLVMLFQPHRYSRTRDCFDDFIEVLSQVDQLLLLEVYPAGEKPIVGADSRTLARSIRLRGQVEPILIDPVEGNLQNIMQNVLQPNDLLLTQGAGNVGAISVELAQHHLYVK



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]
VAL127C121[O],
VAL127O222[O],
VAL127CG1323[O],
ALA128CA121[O],
ALA128C121[O],
ALA128N121[O],
ALA128O121[O],
GLY129CA421[P], 3[O],
GLY129N423[O], 1[P],
GLY129O1123[P], 1[C], 7[O],
GLY129C922[P], 1[C], 6[O],
THR130O43215[O], 8[N], 16[C], 4[P],
THR130CA1326[O], 3[C], 2[P], 2[N],
THR130OG1222[O],
THR130C41210[N], 4[P], 14[C], 13[O],
THR130N924[O], 2[N], 1[C], 2[P],
THR130CB823[N], 2[C], 1[P], 2[O],
THR130CG2422[O], 1[C], 1[P],
HIS131CE134216[C], 2[P], 8[N], 8[O],
HIS131CB51216[O], 4[P], 21[C], 10[N],
HIS131CD23327[O], 10[N], 1[P], 15[C],
HIS131C51216[O], 4[P], 21[C], 10[N],
HIS131O45210[N], 4[P], 18[C], 13[O],
HIS131ND148221[C], 4[P], 10[N], 13[O],
HIS131N46215[O], 17[C], 4[P], 10[N],
HIS131NE22324[O], 10[C], 9[N],
HIS131CG48213[O], 10[N], 4[P], 21[C],
HIS131CA52217[O], 10[N], 4[P], 21[C],
GLY132C48210[N], 20[C], 4[P], 14[O],
GLY132N54219[O], 10[N], 4[P], 21[C],
GLY132CA52217[O], 21[C], 4[P], 10[N],
GLY132O3829[N], 14[C], 3[P], 12[O],
LYS133O1523[P], 1[C], 11[O],
LYS133CE1724[P], 1[C], 12[O],
LYS133CD16211[O], 4[P], 1[C],
LYS133C2324[P], 5[C], 2[N], 12[O],
LYS133CB2023[C], 4[P], 13[O],
LYS133CG1824[P], 1[C], 13[O],
LYS133CA2724[N], 7[C], 4[P], 12[O],
LYS133NZ17211[O], 2[C], 4[P],
LYS133N45215[O], 10[N], 16[C], 4[P],
THR134CG218211[O], 4[P], 3[C],
THR134CB24214[O], 4[P], 6[C],
THR134OG12124[C], 4[P], 13[O],
THR134CA2024[C], 4[P], 12[O],
THR134N27214[O], 7[C], 4[P], 2[N],
THR134O1423[P], 1[C], 10[O],
THR134C21211[O], 2[N], 5[C], 3[P],
THR135CB40213[O], 6[N], 3[P], 18[C],
THR135CG231214[C], 2[P], 6[N], 9[O],
THR135C1729[O], 3[P], 3[C], 2[N],
THR135N29212[O], 4[N], 10[C], 3[P],
THR135CA2524[N], 3[P], 8[C], 10[O],
THR135OG14325[N], 19[C], 3[P], 16[O],
THR135O722[P], 5[O],
THR136N2024[C], 3[P], 3[N], 10[O],
THR136CA824[O], 2[N], 2[P],
THR136C222[O],
THR136CB1125[O], 4[N], 2[P],
THR136OG11725[O], 6[C], 2[P], 4[N],
THR137CB222[O],
THR137OG1424[O],
THR137CA121[O],
THR137N521[P], 4[O],
SER138N222[O],
SER138CB222[O],
SER138OG323[O],
ILE155C121[O],
GLY156C924[O], 4[P], 1[C],
GLY156O921[C], 3[P], 5[O],
GLY156CA724[O], 1[C], 2[P],
GLY156N424[O],
GLY157N524[O], 1[P],
GLY157CA423[O], 1[P],
GLY157C222[O],
GLU177OE21621[C], 4[P], 11[O],
GLU177CD16211[O], 1[C], 4[P],
GLU177OE11721[C], 4[P], 12[O],
GLU177CA121[O],
GLU177CG1121[C], 3[P], 7[O],
GLU177CB521[P], 4[O],
ALA178O222[O],
ASP179CG322[O], 1[P],
ASP179OD1423[O], 1[P],
ASP179OD2321[P], 2[O],
ASP179CB222[O],
ASP179CA222[O],
THR196O1125[N], 6[C],
THR196CA724[N], 3[C],
THR196N222[N],
THR196CB1827[N], 9[C], 2[O],
THR196C824[C], 4[N],
THR196OG12224[O], 8[N], 1[P], 9[C],
THR196CG21625[O], 6[N], 5[C],
ASN197C121[N],
ASN197CG2021[O], 10[N], 9[C],
ASN197OD12123[O], 8[C], 1[P], 9[N],
ASN197ND22524[O], 11[C], 10[N],
ASN197CA824[N], 4[C],
ASN197N724[N], 3[C],
ASN197CB1327[C], 6[N],
ASP199CB121[C],
ASP199CG221[N], 1[C],
ASP199OD2623[N], 3[C],
CYS233CB222[N],
CYS233SG421[C], 3[N],
ASP236OD1121[N],
TYR253CZ222[N],
TYR253CE1222[N],
GLN291OE1321[O], 1[N], 1[C],
PRO292O521[O], 3[C], 1[N],
LEU294C1426[N], 8[C],
LEU294O1026[N], 4[C],
HIS295CB31210[N], 17[C], 4[O],
HIS295N21210[C], 10[N], 1[O],
HIS295ND13326[O], 10[N], 17[C],
HIS295CE13526[O], 10[N], 19[C],
HIS295C25214[C], 10[N], 1[O],
HIS295CD242210[O], 20[C], 2[P], 10[N],
HIS295O2421[O], 13[C], 10[N],
HIS295CA25210[N], 14[C], 1[O],
HIS295NE239220[C], 10[N], 9[O],
HIS295CG37210[N], 19[C], 8[O],
ASN296CB1629[C], 6[N], 1[O],
ASN296O1024[N], 6[C],
ASN296ND22425[O], 15[C], 4[N],
ASN296N2521[O], 10[N], 14[C],
ASN296CA1729[C], 8[N],
ASN296OD139210[N], 18[C], 2[P], 9[O],
ASN296CG26215[C], 6[N], 5[O],
ASN296C1024[N], 6[C],
VAL297N622[C], 4[N],
VAL297C222[N],
VAL297CA121[N],
LEU298CG1226[C], 6[N],
LEU298CB1326[N], 7[C],
LEU298N925[N], 4[C],
LEU298O322[N], 1[C],
LEU298CA1024[C], 6[N],
LEU298CD2622[C], 4[N],
LEU298CD11628[N], 8[C],
LEU298C1026[N], 4[C],
ASN299N1326[N], 7[C],
ASN299C424[N],
ASN299CB1822[O], 8[C], 8[N],
ASN299CA1226[C], 6[N],
ASN299OD13529[O], 10[N], 2[P], 14[C],
ASN299ND246213[O], 10[N], 20[C], 3[P],
ASN299O222[N],
ASN299CG35210[N], 15[C], 2[P], 8[O],
ALA300N222[N],
VAL327C121[O],
VAL327O323[O],
VAL327CG2826[O], 2[P],
VAL327CB722[P], 5[O],
VAL327CA323[O],
VAL327N222[O],
VAL327CG1826[O], 2[P],
GLY328C222[O],
GLY328O521[P], 1[C], 3[O],
ARG329O2022[P], 8[C], 10[O],
ARG329C1627[O], 8[C], 1[P],
ARG329N121[O],
ARG329CB323[O],
ARG329CA222[O],
ARG330N1929[O], 2[P], 8[C],
ARG330CG3524[N], 13[C], 3[P], 15[O],
ARG330CZ2627[C], 4[P], 15[O],
ARG330C1929[O], 1[P], 9[C],
ARG330CA26212[C], 2[P], 12[O],
ARG330NE3524[P], 13[C], 1[N], 17[O],
ARG330CD30214[O], 13[C], 3[P],
ARG330O1125[O], 6[C],
ARG330CB3123[N], 2[P], 12[C], 14[O],
PHE331C121[O],
PHE331CG824[C], 4[O],
PHE331CD1824[C], 4[O],
PHE331N1727[O], 10[C],
PHE331CB1024[O], 6[C],
PHE331CE1121[O],
PHE331O121[O],
PHE331CA1024[O], 6[C],
GLN332N121[O],
ASP348C121[O],
ASP348O422[C], 2[O],
ASP349OD127212[C], 2[P], 2[N], 11[O],
ASP349CB1626[O], 10[C],
ASP349N522[C], 3[O],
ASP349CA1228[C], 4[O],
ASP349CG2329[O], 2[N], 12[C],
ASP349C1529[C], 6[O],
ASP349OD226213[C], 2[P], 2[N], 9[O],
ASP349O926[C], 3[O],
TYR350CE22523[P], 9[C], 1[N], 12[O],
TYR350CD131218[O], 4[P], 9[C],
TYR350CE12928[C], 4[P], 17[O],
TYR350C26212[O], 1[N], 11[C], 2[P],
TYR350CG31217[O], 10[C], 4[P],
TYR350CA22211[O], 1[P], 10[C],
TYR350CZ27213[O], 9[C], 4[P], 1[N],
TYR350CD227214[O], 1[N], 3[P], 9[C],
TYR350O2323[P], 9[C], 11[O],
TYR350N2029[C], 1[P], 10[O],
TYR350CB26213[O], 9[C], 4[P],
GLY351C2121[N], 11[C], 9[O],
GLY351O1428[C], 6[O],
GLY351N28212[C], 2[P], 2[N], 12[O],
GLY351CA30212[O], 13[C], 2[P], 3[N],
HIS352ND11628[O], 6[C], 2[P],
HIS352CD21925[C], 3[P], 11[O],
HIS352CE12123[P], 6[C], 12[O],
HIS352NE21923[P], 5[C], 11[O],
HIS352N2229[O], 11[C], 1[P], 1[N],
HIS352CA824[C], 4[O],
HIS352CB823[C], 1[P], 4[O],
HIS352CG1222[P], 4[C], 6[O],
HIS352C521[C], 4[O],
HIS353O1625[O], 3[N], 8[C],
HIS353ND1422[C], 2[N],
HIS353C621[C], 1[N], 4[O],
HIS353CG221[O], 1[N],
HIS353CA521[C], 4[O],
HIS353N1126[C], 5[O],
HIS353CB1422[N], 6[C], 6[O],
PRO354O322[N], 1[O],
PRO354C321[O], 2[N],
LYS355O3125[O], 18[C], 8[N],
LYS355CB1923[O], 6[N], 10[C],
LYS355NZ1628[C], 8[N],
LYS355CD2029[N], 10[C], 1[O],
LYS355N822[O], 2[N], 4[C],
LYS355CE22211[C], 10[N], 1[O],
LYS355CG2329[N], 11[C], 3[O],
LYS355C2926[N], 18[C], 5[O],
LYS355CA1825[O], 6[N], 7[C],
GLU356OE14525[N], 4[P], 18[C], 18[O],
GLU356N3427[O], 7[N], 20[C],
GLU356O3528[O], 8[N], 19[C],
GLU356CG5129[N], 21[C], 4[P], 17[O],
GLU356OE25224[P], 21[C], 8[N], 19[O],
GLU356CA3628[O], 20[C], 8[N],
GLU356C3427[N], 19[C], 8[O],
GLU356CD52221[C], 4[P], 8[N], 19[O],
GLU356CB4328[N], 3[P], 21[C], 11[O],
VAL357CB522[C], 3[O],
VAL357CA1626[O], 2[N], 8[C],
VAL357O825[C], 3[O],
VAL357C1025[C], 1[N], 4[O],
VAL357CG2724[O], 3[C],
VAL357N2326[O], 13[C], 4[N],
VAL357CG1222[O],
GLU358O222[O],
GLU358C1123[O], 6[C], 2[N],
GLU358CA421[N], 3[O],
GLU358CB221[O], 1[N],
GLU358N1023[O], 5[C], 2[N],
ALA359CB35210[N], 19[C], 6[O],
ALA359C2526[O], 4[N], 15[C],
ALA359O1623[O], 4[N], 9[C],
ALA359CA30217[C], 8[N], 5[O],
ALA359N2225[O], 11[C], 6[N],
THR360CA1926[O], 3[N], 10[C],
THR360O523[O], 2[C],
THR360OG12828[O], 15[C], 5[N],
THR360N2526[O], 4[N], 15[C],
THR360CG21325[O], 8[C],
THR360CB1923[N], 10[C], 6[O],
THR360C824[O], 4[C],
ILE361N523[O], 2[C],
ILE361CA121[O],
LYS362N121[O],
ALA363N121[O],
ALA363CA121[O],
ALA363CB221[C], 1[O],
HIS380CE1121[O],
HIS380ND1121[O],
HIS380NE2121[O],
ARG381CZ121[O],
GLN462CD1024[O], 6[C],
GLN462NE21626[O], 10[C],
GLN462OE1824[C], 4[O],
GLN462CG323[O],
GLY463N121[O],
GLY463O121[O],
ALA464CA121[O],
ALA464O121[O],
ALA464CB321[C], 1[P], 1[O],
Total = 287



Download csv file of statistical distribution of contacts