Binding Site Information :
Doc...
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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: FTP_B_6(1G4T) / Model_22(1G4T/B) = [8.8] Download858.7411.00MFHKELLKLYFICGTTTCQGKNLYTVVEEALKGGITLFQFREKGESALEGLEKLELAIQIKELCKKYNVPFIVNDDIDLAMEIDADGVHVGQDDIGVDEIRKLMPDKIIGLSIRNEEEFQQSKVEYVDYVGVGPVFDTQSKDDAGGAIGYEGLELMRKLLPQMPLVAIGGIQTKHIKDIIKTNMDGVSIISAISYAKNIEKTVREMSEQ
Complex: TPS_B_6(1G4S) / Model_25(1G4S/B) = [8.2] Download833.318.13MFHKELLKLYFICGTTTCQGKNLYTVVEEALKGGITLFQFREKGESALEGLEKLELAIQIKELCKKYNVPFIVNDDIDLAMEIDADGVHVGQDDIGVDEIRKLMPDKIIGLSIRNEEEFQQSKVEYVDYVGVGPVFDTQSKDDAGGAIGYEGLELMRKLLPQMPLVAIGGIQTKHIKDIIKTNMDGVSIISAISYAKNIEKTVREMSEQ
Complex: FQP_A_5(1G4P) / Model_7(1G4P/A) = [6.1] Download551.9512.91MFHKELLKLYFICGTTTCQGKNLYTVVEEALKGGITLFQFREKGESALEGLEKLELAIQIKELCKKYNVPFIVNDDIDLAMEIDADGVHVGQDDIGVDEIRKLMPDKIIGLSIRNEEEFQQSKVEYVDYVGVGPVFDTQSKDDAGGAIGYEGLELMRKLLPQMPLVAIGGIQTKHIKDIIKTNMDGVSIISAISYAKNIEKTVREMSEQ
Consensus
[pKd Mean = 7.70]		-748
(s=139)		10
(s=2)		MFHKELLKLYFICGTTTCQGKNLYTVVEEALKGGITLFQFREKGESALEGLEKLELAIQIKELCKKYNVPFIVNDDIDLAMEIDADGVHVGQDDIGVDEIRKLMPDKIIGLSIRNEEEFQQSKVEYVDYVGVGPVFDTQSKDDAGGAIGYEGLELMRKLLPQMPLVAIGGIQTKHIKDIIKTNMDGVSIISAISYAKNIEKTVREMSEQ



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]
LEU7CD21136[F], 5[C],
LEU7CG936[F], 3[C],
LEU7CD1333[F],
TYR10CD22336[F], 11[C], 6[N],
TYR10CE12339[C], 6[F], 8[N],
TYR10CG1936[N], 6[F], 7[C],
TYR10CZ2839[N], 13[C], 6[F],
TYR10CD11836[F], 7[C], 5[N],
TYR10CE229314[C], 6[F], 9[N],
PHE11CE1232[O],
PHE11CD1232[O],
ILE12CD15732[S], 6[O], 2[P], 11[N], 30[C], 6[F],
ILE12CG25236[O], 2[P], 11[N], 28[C], 5[F],
ILE12CG14935[O], 11[N], 27[C], 6[F],
THR17CG2434[O],
LEU37CG232[F],
LEU37CD2936[F], 3[C],
GLN39CG3239[N], 15[C], 6[F], 2[O],
GLN39NE24333[O], 1[P], 11[N], 6[F], 22[C],
GLN39OE14936[F], 24[C], 2[P], 11[N], 6[O],
GLN39CD43322[C], 6[F], 1[P], 11[N], 3[O],
ARG41CZ4432[S], 9[O], 2[P], 8[N], 23[C],
ARG41CD5232[S], 8[O], 11[N], 2[P], 2[F], 27[C],
ARG41NE51327[C], 2[P], 11[N], 9[O], 2[S],
ARG41CG3235[O], 2[P], 8[N], 17[C],
LYS43CE1437[O], 2[C], 3[N], 2[P],
LYS43CD1635[C], 2[P], 3[N], 6[O],
LYS43NZ1737[O], 2[P], 3[N], 5[C],
LYS43CG932[C], 2[N], 1[P], 4[O],
ILE72CG1232[F],
ILE72CG2832[F], 3[C], 3[N],
ASN74OD14837[O], 6[F], 22[C], 11[N], 2[P],
ASN74CG44311[N], 2[P], 22[C], 2[F], 7[O],
ASN74ND23537[O], 2[P], 8[N], 18[C],
ASP75CG1432[C], 3[N], 2[P], 7[O],
ASP75OD12037[O], 2[P], 4[N], 7[C],
ASP75OD21437[O], 2[P], 3[N], 2[C],
HIS89CG4335[O], 6[F], 19[C], 11[N], 2[P],
HIS89ND13733[O], 1[P], 9[N], 18[C], 6[F],
HIS89CD24936[O], 11[N], 2[P], 24[C], 6[F],
HIS89NE24936[O], 2[P], 11[N], 6[F], 24[C],
HIS89CE14334[O], 1[P], 11[N], 21[C], 6[F],
VAL90CG1131[O],
VAL90CG2232[O],
GLN92CG332[O], 1[P],
ASP93CG836[O], 2[P],
ASP93OD11037[O], 2[P], 1[C],
ASP93OD2836[O], 2[P],
ASP94OD1932[P], 7[O],
ASP94CG1032[P], 1[C], 7[O],
ASP94OD21537[O], 3[C], 3[N], 2[P],
LEU111CD1131[O],
SER112OG53326[C], 6[F], 11[N], 2[P], 6[O], 2[S],
ARG114CD332[C], 1[O],
ARG114NE834[O], 1[P], 3[C],
ARG114CZ834[O], 1[P], 3[C],
ARG114CG531[O], 4[C],
TYR129CZ2536[F], 12[C], 7[N],
TYR129CE12837[N], 6[F], 15[C],
TYR129CG1236[F], 6[C],
TYR129CD21036[F], 4[C],
TYR129CD12036[F], 8[C], 6[N],
TYR129CE21634[N], 6[C], 6[F],
VAL130CG2232[F],
VAL130CG1131[F],
PRO134CG1339[C], 2[N], 2[S],
PRO134CD932[S], 5[C], 2[N],
THR138CG22638[O], 2[S], 12[C], 2[N], 2[P],
THR138OG12632[P], 2[N], 12[C], 2[S], 8[O],
SER140OG2238[O], 2[S], 10[C], 2[P],
LYS141CG2832[O], 2[S], 20[C], 4[N],
LYS141NZ2432[S], 18[C], 4[N],
LYS141CD3232[O], 2[S], 20[C], 8[N],
LYS141CE26320[C], 4[N], 2[S],
ASP143OD2731[S], 1[N], 5[C],
VAL166CG22036[N], 6[F], 8[C],
VAL166CG127315[C], 6[F], 6[N],
ILE168CG26032[S], 9[O], 2[P], 11[N], 30[C], 6[F],
ILE168CD167311[N], 4[P], 30[C], 6[F], 2[S], 14[O],
ILE168CG16136[F], 30[C], 11[N], 2[P], 10[O], 2[S],
ILE171CG2232[O],
ILE171CD1834[O], 2[P], 2[C],
ILE171CG1834[O], 2[P], 2[C],
GLN172CG535[O],
MET184CE131[F],
SER188OG5436[F], 29[C], 11[N], 2[P], 4[O], 2[S],
ILE189CG21238[O], 2[P], 2[C],
ILE189CG11232[C], 2[P], 8[O],
ILE189CD1634[O], 2[P],
ILE190CG140319[C], 8[N], 2[P], 9[O], 2[S],
ILE190CG22038[O], 2[P], 10[C],
ILE190CD143310[O], 2[S], 20[C], 3[P], 8[N],
SER191OG1432[P], 4[C], 8[O],
SER194OG832[P], 6[O],
TYR195CZ232[O],
TYR195CD1632[P], 4[O],
TYR195CE1836[O], 2[P],
TYR195CG232[O],
Total = 98



Download csv file of statistical distribution of contacts