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 :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: TRS_F_(3LKT) / Model_141(3LKT/F) = [3.1] Download579.591.75MNNWNFQELKETPSQTGGPYVHIGLLPQQAGIEVFENNFNNQLVQDQTKGECIRLEGQVFDGLGLPLRDVLIEIWQADANGIYPSQADTREQKADPAFQGWGRTGADFETGVWSFNTIKPGATAGRKGSVQAPHIALVIFARGINLGLHTRVYFEDEAEANANDPILNSIEWAPRRQTLIAKRFEENGEVVYRFDIRIQGDDETVFFDI
Consensus
[pKd Mean = 3.10]		-579
(s=0)		1
(s=0)		MNNWNFQELKETPSQTGGPYVHIGLLPQQAGIEVFENNFNNQLVQDQTKGECIRLEGQVFDGLGLPLRDVLIEIWQADANGIYPSQADTREQKADPAFQGWGRTGADFETGVWSFNTIKPGATAGRKGSVQAPHIALVIFARGINLGLHTRVYFEDEAEANANDPILNSIEWAPRRQTLIAKRFEENGEVVYRFDIRIQGDDETVFFDI



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]
GLU56O312[C], 1[N],
GLU56C111[N],
GLY57C111[N],
GLY57CA312[C], 1[N],
GLY57N111[N],
GLN58O412[C], 1[O], 1[N],
GLN58N211[C], 1[N],
PHE60CD1211[O], 1[C],
PHE60CE1311[N], 1[O], 1[C],
ARG151O211[C], 1[O],
ARG151C111[O],
VAL152CA211[C], 1[O],
VAL152C211[O], 1[C],
VAL152CG1312[C], 1[O],
VAL152CG2211[C], 1[O],
VAL152CB211[O], 1[C],
TYR153CA111[O],
TYR153C211[O], 1[C],
TYR153N211[O], 1[C],
TYR153O411[O], 3[C],
GLU155CD111[C],
GLU155OE1211[O], 1[C],
GLU155CB111[C],
ARG175O111[O],
ARG176C212[O],
ARG176O312[O], 1[C],
GLN177OE1111[O],
GLN177CB312[O], 1[C],
GLN177CA513[C], 2[O],
GLN177C714[C], 3[O],
GLN177CG111[O],
GLN177CD111[O],
GLN177O811[N], 3[O], 4[C],
GLN177N212[O],
THR178CG2713[O], 4[C],
THR178O814[C], 3[O], 1[N],
THR178N714[C], 3[O],
THR178CB714[C], 3[O],
THR178OG1512[C], 3[O],
THR178CA814[C], 3[O], 1[N],
THR178C811[N], 4[C], 3[O],
LEU179O711[N], 2[O], 4[C],
LEU179CG211[C], 1[O],
LEU179CD2211[C], 1[O],
LEU179N811[N], 4[C], 3[O],
LEU179CA811[N], 4[C], 3[O],
LEU179CB311[C], 2[O],
LEU179C811[N], 4[C], 3[O],
ILE180CD1311[C], 2[O],
ILE180CG2512[O], 3[C],
ILE180C813[O], 4[C], 1[N],
ILE180CA811[N], 3[O], 4[C],
ILE180CG1512[O], 3[C],
ILE180N811[N], 3[O], 4[C],
ILE180O811[N], 3[O], 4[C],
ILE180CB712[O], 4[C], 1[N],
ALA181CB712[O], 4[C], 1[N],
ALA181CA814[C], 3[O], 1[N],
ALA181O711[N], 4[C], 2[O],
ALA181N811[N], 4[C], 3[O],
ALA181C813[O], 4[C], 1[N],
LYS182N811[N], 3[O], 4[C],
LYS182CD711[N], 4[C], 2[O],
LYS182CB813[O], 4[C], 1[N],
LYS182O411[N], 3[C],
LYS182CG511[N], 1[O], 3[C],
LYS182CE211[C], 1[N],
LYS182C413[C], 1[N],
LYS182CA813[O], 4[C], 1[N],
ARG183N211[C], 1[N],
PHE184CD2111[N],
PHE184CE2111[N],
TYR192O211[C], 1[N],
TYR192C312[C], 1[N],
TYR192CA111[N],
ARG193CZ111[N],
ARG193O811[N], 4[C], 3[O],
ARG193C811[N], 4[C], 3[O],
ARG193N511[N], 1[O], 3[C],
ARG193NE211[C], 1[N],
ARG193CD611[N], 4[C], 1[O],
ARG193CA714[C], 2[O], 1[N],
ARG193CB711[N], 2[O], 4[C],
ARG193CG813[O], 4[C], 1[N],
PHE194N813[O], 4[C], 1[N],
PHE194CB811[N], 4[C], 3[O],
PHE194CD2611[N], 1[O], 4[C],
PHE194CD1813[O], 4[C], 1[N],
PHE194C811[N], 3[O], 4[C],
PHE194CE2513[C], 1[O], 1[N],
PHE194CG813[O], 4[C], 1[N],
PHE194CA811[N], 4[C], 3[O],
PHE194CE1814[C], 3[O], 1[N],
PHE194O814[C], 3[O], 1[N],
PHE194CZ813[O], 4[C], 1[N],
ASP195OD1711[N], 2[O], 4[C],
ASP195N811[N], 4[C], 3[O],
ASP195O811[N], 3[O], 4[C],
ASP195C813[O], 4[C], 1[N],
ASP195CA813[O], 4[C], 1[N],
ASP195CB814[C], 3[O], 1[N],
ASP195OD2813[O], 4[C], 1[N],
ASP195CG811[N], 4[C], 3[O],
ILE196N811[N], 3[O], 4[C],
ILE196C613[C], 2[O], 1[N],
ILE196CG1513[C], 1[O], 1[N],
ILE196O211[O], 1[C],
ILE196CA612[O], 3[C], 1[N],
ILE196CB311[O], 2[C],
ARG197CD412[O], 2[C],
ARG197CG312[C], 1[O],
ARG197CZ811[N], 3[O], 4[C],
ARG197CA211[C], 1[O],
ARG197N512[O], 3[C],
ARG197NE611[N], 2[O], 3[C],
ARG197CB211[O], 1[C],
ASP202CB312[O], 1[C],
ASP202OD2311[C], 2[O],
ASP202CA211[C], 1[O],
ASP202OD1311[C], 2[O],
ASP202CG312[O], 1[C],
ASP202O512[C], 3[O],
ASP202C211[C], 1[O],
THR204CB311[O], 2[C],
THR204CG2311[O], 2[C],
THR204OG1613[O], 3[C],
THR204CA211[C], 1[O],
Total = 127



Download csv file of statistical distribution of contacts