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 :C2_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 C2_S1
Complex: NAI_J_10(1O0S) / Model_21(1O0S/B) = [9.1] Download2315.9019.59MLTGLNLLNNPFLNKGTAFTKEERAKYGITGMLPSTVQTLEQQSVQAYGQYLSKQTDLEKRIFLMNLFNTNRTLFYKLMGEHLVEFMPVVYDPVVADSIEQYNEIFLKPQDAAFLSIDEPENIKASLKNAADGRDIRLIVVTDAEGILGMGDWGVNGVDIAIGKLMVYTAAAGINPAQVLPVSIDAGTNNEELLNNPLYLGNRHARVEGETYYEFIDQFVQSATELFPELLLHWEDFGRGNAAAILEKYEDQITTFNDDIQGTGIVVLAGVLGGLNISGEQLKDQIILTFGAGTAGVGIANILLDEMIRQGVPEEEARQHFYQVDKQGLLFEDTEGLTPGQIPFARKRSDFTNADELTNLEAVVKAIHPTIMIGTSTQPGAFTEEIVKEMAAHTPRPIIMPLSNPTKLAEAKAKDLIEWTDGKALVGTGIPAADVEYNGVTYQIGQANNALMYPGLGLGLIASTATRVNAEIISQASRALGGIVDVTKPGAAILPPVAKITEFSQTIAETVAKSVVAQNLNREEITDIKEAVESAKWVPEYKSLED
Consensus
[pKd Mean = 9.10]		-2315
(s=0)		19
(s=0)		MLTGLNLLNNPFLNKGTAFTKEERAKYGITGMLPSTVQTLEQQSVQAYGQYLSKQTDLEKRIFLMNLFNTNRTLFYKLMGEHLVEFMPVVYDPVVADSIEQYNEIFLKPQDAAFLSIDEPENIKASLKNAADGRDIRLIVVTDAEGILGMGDWGVNGVDIAIGKLMVYTAAAGINPAQVLPVSIDAGTNNEELLNNPLYLGNRHARVEGETYYEFIDQFVQSATELFPELLLHWEDFGRGNAAAILEKYEDQITTFNDDIQGTGIVVLAGVLGGLNISGEQLKDQIILTFGAGTAGVGIANILLDEMIRQGVPEEEARQHFYQVDKQGLLFEDTEGLTPGQIPFARKRSDFTNADELTNLEAVVKAIHPTIMIGTSTQPGAFTEEIVKEMAAHTPRPIIMPLSNPTKLAEAKAKDLIEWTDGKALVGTGIPAADVEYNGVTYQIGQANNALMYPGLGLGLIASTATRVNAEIISQASRALGGIVDVTKPGAAILPPVAKITEFSQTIAETVAKSVVAQNLNREEITDIKEAVESAKWVPEYKSLED



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]
LEU148CD21514[O], 2[N], 9[C],
LEU148CD12111[P], 2[N], 7[O], 11[C],
LEU148CG18110[C], 2[N], 6[O],
LYS164NZ111[N],
GLU235OE2111[N],
GLU235CG111[N],
GLU235OE1311[C], 1[O], 1[N],
GLU235CD311[C], 1[N], 1[O],
ASP236OD2211[N], 1[O],
ASP236OD1411[O], 1[N], 2[C],
ASP236CG311[O], 1[N], 1[C],
ARG239CG912[P], 7[O],
ARG239CD812[P], 6[O],
ARG239CZ413[O], 1[P],
ARG239NE816[O], 2[P],
ASN257CG111[N],
ASN257OD1311[C], 1[N], 1[O],
ASP258CG211[C], 1[N],
ASP258OD2511[O], 1[N], 3[C],
ASP258OD1111[N],
ASP259OD1811[O], 2[N], 5[C],
ASP259OD2511[N], 1[O], 3[C],
ASP259CG614[C], 1[O], 1[N],
ILE260CG1311[C], 1[O], 1[N],
THR263CG21218[C], 2[O], 2[N],
THR263OG11112[O], 2[N], 7[C],
VAL266CG1313[C],
VAL267CG2313[C],
THR289CG2211[O], 1[C],
PHE290CG1014[N], 1[O], 5[C],
PHE290CD11011[O], 4[N], 5[C],
PHE290CD21216[C], 5[N], 1[O],
PHE290CE21216[C], 5[N], 1[O],
PHE290CZ1216[C], 5[N], 1[O],
PHE290CE11211[O], 5[N], 6[C],
THR294OG11212[P], 8[O], 2[C],
THR294CG21512[P], 4[C], 8[O], 1[N],
VAL297CG2612[C], 4[O],
ILE299CG1313[C],
ILE299CD1711[N], 1[O], 5[C],
GLN323OE1111[O],
VAL324CG2211[N], 1[C],
VAL324CG1815[C], 3[N],
ASP325OD11112[N], 3[O], 6[C],
ASP325CG1619[C], 3[O], 4[N],
ASP325OD21614[N], 3[O], 9[C],
LYS326NZ512[C], 2[N], 1[O],
LYS326CE1015[C], 1[O], 4[N],
LYS326CD1411[O], 5[N], 8[C],
LYS326CG1615[N], 3[O], 8[C],
GLN327CG111[O],
GLN327NE2111[O],
GLN327CD111[O],
LEU330CD2212[O],
LEU330CG111[O],
LEU330CD1111[O],
THR338OG1111[O],
GLN341OE1111[O],
GLN341NE2512[O], 3[C],
GLN341CG111[O],
GLN341CD111[O],
THR358CG2412[N], 2[C],
LEU360CG211[N], 1[C],
LEU360CD2311[C], 2[N],
LEU360CD1211[N], 1[C],
THR375OG124110[O], 1[N], 11[C], 2[P],
THR375CG21711[P], 10[C], 5[O], 1[N],
SER376OG1912[O], 5[N], 12[C],
THR377OG12912[P], 13[C], 11[O], 3[N],
THR377CG21517[C], 2[N], 6[O],
GLN378CD1015[N], 5[C],
GLN378NE2915[C], 4[N],
GLN378OE11216[C], 1[O], 5[N],
GLN378CG1015[N], 5[C],
PRO379CD111[N],
LEU402CG1011[N], 1[O], 8[C],
LEU402CD2911[N], 1[O], 7[C],
LEU402CD1611[O], 1[N], 4[C],
SER403OG1611[P], 6[O], 1[N], 8[C],
ASN404OD114110[C], 1[N], 3[O],
ASN404CG1815[O], 2[N], 11[C],
ASN404ND21815[O], 2[N], 11[C],
PRO405CG212[O],
PRO405CD412[O], 2[C],
LEU408CG312[O], 1[C],
LEU408CD1512[O], 3[C],
LEU408CD2111[O],
GLU410CD614[C], 2[O],
GLU410OE21011[N], 3[O], 6[C],
GLU410OE1614[C], 2[O],
ILE430CG2612[O], 1[N], 3[C],
ASN449OD1916[C], 1[O], 2[N],
ASN449CG912[N], 1[O], 6[C],
ASN449ND2912[N], 1[O], 6[C],
Total = 94



Download csv file of statistical distribution of contacts