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 :C5_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 C5_S1
Complex: NACID_F_2(1P51) / Model_28(1P51/B) = [4.8] Download--MANKAELIEKVASATDLTKKDATAAVDAVFSTIQDALANGEKVQLIGFGNFEVRERAARKGRNPQTGEEIEIPASKVPAFKPGKALKDAVK
Consensus
[pKd Mean = 4.80]
-0
(s=0)
0
(s=0)
MANKAELIEKVASATDLTKKDATAAVDAVFSTIQDALANGEKVQLIGFGNFEVRERAARKGRNPQTGEEIEIPASKVPAFKPGKALKDAVK



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]
GLU52OE2411[P], 3[O],
ARG54CD1918[C], 9[O], 2[P],
ARG54CG1317[O], 2[P], 4[C],
ARG54CZ2019[O], 2[P], 8[C], 1[N],
ARG54NE1919[O], 2[P], 8[C],
ARG56CG25112[C], 2[N], 9[O], 2[P],
ARG56NE29113[C], 4[N], 10[O], 2[P],
ARG56CD2512[N], 11[C], 2[P], 10[O],
ARG56CZ2112[P], 8[O], 2[N], 9[C],
ARG59CD42122[C], 7[N], 11[O], 2[P],
ARG59CZ2917[N], 17[C], 5[O],
ARG59NE34118[C], 7[N], 8[O], 1[P],
ARG59CG3619[O], 2[P], 18[C], 7[N],
LYS60NZ1113[C], 2[P], 6[O],
LYS60CD1716[C], 9[O], 2[P],
LYS60CG1917[C], 2[P], 10[O],
LYS60CE1314[C], 2[P], 7[O],
ARG62CG36118[C], 6[N], 11[O], 1[P],
ARG62CD43120[C], 7[N], 14[O], 2[P],
ARG62CZ3014[N], 14[C], 2[P], 10[O],
ARG62NE4913[P], 15[O], 7[N], 24[C],
ASN63CG512[O], 1[N], 2[C],
ASN63OD1512[O], 1[N], 2[C],
PRO64CD2413[O], 13[C], 8[N],
PRO64CG2813[O], 17[C], 8[N],
GLN65CG512[N], 3[C],
GLN65NE2412[C], 2[N],
GLN65CD311[C], 2[N],
GLN65OE1111[C],
GLU69CG513[O], 1[P], 1[C],
GLU69OE21015[O], 1[P], 4[C],
GLU69OE1511[C], 1[P], 3[O],
GLU69CD612[C], 3[O], 1[P],
ILE70CD1111[O],
ILE72CD1813[O], 2[N], 3[C],
VAL77CG1111[O],
VAL77CG2411[P], 3[O],
PHE80CG111[O],
PHE80CD2111[O],
LYS81CE611[C], 4[O], 1[P],
LYS81NZ511[P], 4[O],
LYS81CG812[C], 1[P], 5[O],
LYS81CD615[O], 1[P],
PRO82CD1016[O], 2[P], 2[C],
PRO82CG1012[C], 6[O], 2[P],
LYS87CE1313[C], 2[P], 8[O],
LYS87NZ1918[C], 2[P], 9[O],
LYS87CG511[C], 1[P], 3[O],
LYS87CD1113[C], 2[P], 6[O],
Total = 49



Download csv file of statistical distribution of contacts