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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: IMD_A_3(3IHQ) / Model_4(3IHQ/A) = [3.9] Download381.90-26.00MIKVYTSPSCTSCRKARAWLQANQLEFEEKNIFAEPLTESEIKKILAATEGGVQDIISTRSKIYEKLGIDFNELTLKQMIVLFKEYPSLLRRPILIDEKRILIGFNEDEIRSFVPREIRCVARNLIYLQNNNILNS
Consensus
[pKd Mean = 3.90]		-381
(s=0)		-26
(s=0)		MIKVYTSPSCTSCRKARAWLQANQLEFEEKNIFAEPLTESEIKKILAATEGGVQDIISTRSKIYEKLGIDFNELTLKQMIVLFKEYPSLLRRPILIDEKRILIGFNEDEIRSFVPREIRCVARNLIYLQNNNILNS



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]
ILE57CG2413[C], 1[N],
SER58OG512[N], 3[C],
THR59OG1513[C], 2[N],
THR59CG2513[C], 2[N],
ARG60NE512[N], 3[C],
ARG60CZ312[C], 1[N],
ARG60CD513[C], 2[N],
ARG60CG512[N], 3[C],
TYR64CZ311[C], 2[N],
TYR64CD2412[C], 2[N],
TYR64CG312[N], 1[C],
TYR64CE1211[N], 1[C],
TYR64CD1111[C],
TYR64CE2412[C], 2[N],
ARG91CD512[N], 3[C],
ARG91NE513[C], 2[N],
ARG91CZ512[N], 3[C],
ARG91CG512[N], 3[C],
ILE103CG2212[C],
Total = 19



Download csv file of statistical distribution of contacts