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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAP_A_3(3O03) / Model_2(3O03/A) = [10.0] Download1512.9717.73MTNTSFSIEQFSLKGKIALITGASYGIGFAIAKSYAEAGATIVFNDINQDLVNKGIEAYREVGIEAHGYVCDVTDEDGIQAMVKQIEQEVGVIDILVNNAGIIRRVPMCEMSAADFRKVIDIDLNAPFIVSKAVIPSMIKKGHGKIINICSMMSELGRETVSAYAAAKGGLKMLTRNIASEYGGANIQCNGIGPGYIATPQTAPLRELQEDGSRHPFDQFIIAKTPAARWGNPEDLMGPAVFLASDASNFVNGHILYVDGGILAYIGKQPE
Complex: TLA_C_18(5U9P) / Model_28(5U9P/C) = [3.5] Download369.0934.50MTNTSFSIEQFSLKGKIALITGASYGIGFAIAKSYAEAGATIVFNDINQDLVNKGIEAYREVGIEAHGYVCDVTDEDGIQAMVKQIEQEVGVIDILVNNAGIIRRVPMCEMSAADFRKVIDIDLNAPFIVSKAVIPSMIKKGHGKIINICSMMSELGRETVSAYAAAKGGLKMLTRNIASEYGGANIQCNGIGPGYIATPQTAPLRELQEDGSRHPFDQFIIAKTPAARWGNPEDLMGPAVFLASDASNFVNGHILYVDGGILAYIGKQPE
Complex: GCO_A_4(3O03) / Model_2(3O03/A) = [3.1] Download573.2028.11MTNTSFSIEQFSLKGKIALITGASYGIGFAIAKSYAEAGATIVFNDINQDLVNKGIEAYREVGIEAHGYVCDVTDEDGIQAMVKQIEQEVGVIDILVNNAGIIRRVPMCEMSAADFRKVIDIDLNAPFIVSKAVIPSMIKKGHGKIINICSMMSELGRETVSAYAAAKGGLKMLTRNIASEYGGANIQCNGIGPGYIATPQTAPLRELQEDGSRHPFDQFIIAKTPAARWGNPEDLMGPAVFLASDASNFVNGHILYVDGGILAYIGKQPE
Consensus
[pKd Mean = 5.53]		-818
(s=498)		26
(s=6)		MTNTSFSIEQFSLKGKIALITGASYGIGFAIAKSYAEAGATIVFNDINQDLVNKGIEAYREVGIEAHGYVCDVTDEDGIQAMVKQIEQEVGVIDILVNNAGIIRRVPMCEMSAADFRKVIDIDLNAPFIVSKAVIPSMIKKGHGKIINICSMMSELGRETVSAYAAAKGGLKMLTRNIASEYGGANIQCNGIGPGYIATPQTAPLRELQEDGSRHPFDQFIIAKTPAARWGNPEDLMGPAVFLASDASNFVNGHILYVDGGILAYIGKQPE



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]
THR21OG11432[O], 3[N], 9[C],
THR21CG2331[C], 2[N],
SER24OG1537[O], 2[N], 5[C], 1[P],
TYR25CE222313[O], 3[P], 6[C],
TYR25CD11835[C], 3[P], 10[O],
TYR25CG18310[O], 3[P], 5[C],
TYR25CD221312[O], 3[P], 6[C],
TYR25CE12131[N], 12[O], 3[P], 5[C],
TYR25CZ24313[O], 1[N], 7[C], 3[P],
ILE27CG22332[P], 12[C], 2[N], 7[O],
ILE27CD131313[O], 2[N], 14[C], 2[P],
ILE27CG12132[P], 11[C], 6[O], 2[N],
ILE31CD1332[C], 1[O],
PHE44CE1131[O],
PHE44CD1131[O],
ASN45CG933[N], 1[O], 5[C],
ASN45ND21235[N], 1[O], 6[C],
ASN45OD1931[O], 3[N], 5[C],
ASP46OD12331[P], 10[C], 7[O], 5[N],
ASP46CG2234[N], 7[O], 10[C], 1[P],
ASP46OD22331[P], 10[C], 4[N], 8[O],
ILE47CD12135[N], 6[O], 9[C], 1[P],
ILE47CG22035[N], 6[O], 8[C], 1[P],
ILE47CG12135[N], 6[O], 9[C], 1[P],
ASN48ND2534[O], 1[P],
ASN48CG431[P], 3[O],
ASN48OD1433[O], 1[P],
LEU51CD21035[O], 4[C], 1[P],
LEU51CG1231[P], 4[C], 2[N], 5[O],
LEU51CD12033[N], 7[O], 9[C], 1[P],
LYS54CD232[O],
LYS54NZ232[O],
CYS71SG231[N], 1[C],
ASP72CG1035[N], 5[C],
ASP72OD11035[C], 5[N],
ASP72OD2834[N], 4[C],
VAL73CG11236[C], 5[N], 1[O],
VAL73CG21236[C], 1[O], 5[N],
THR74CG2834[C], 4[N],
THR74OG1633[N], 3[C],
ILE79CD1432[C], 2[N],
ILE79CG1231[C], 1[N],
VAL97CG1131[C],
ASN99OD126312[O], 1[N], 11[C], 2[P],
ASN99ND228312[O], 3[N], 11[C], 2[P],
ASN99CG2431[N], 11[O], 2[P], 10[C],
ILE102CG22538[O], 5[N], 2[P], 10[C],
ILE102CG1933[N], 2[O], 4[C],
ILE102CD1532[C], 2[N], 1[O],
ILE103CG125311[C], 14[O],
ILE103CG23632[P], 15[C], 18[O], 1[N],
ILE103CD13332[N], 14[O], 17[C],
ARG104CZ131[O],
ARG105CG1539[O], 6[C],
ARG105CZ22312[O], 10[C],
ARG105NE21312[O], 9[C],
ARG105CD1637[C], 9[O],
ASP121OD2131[N],
ASP121CG131[N],
ILE122CG21739[C], 5[N], 3[O],
ILE122CD11136[C], 5[N],
ILE122CG11035[N], 5[C],
ASP123OD11633[N], 4[O], 1[P], 8[C],
ASP123CG833[O], 1[N], 4[C],
ASP123OD2633[C], 3[O],
PRO127CG131[O],
VAL130CG2231[N], 1[C],
ILE149CG22231[P], 11[C], 9[O], 1[N],
ILE149CG11338[C], 4[O], 1[N],
ILE149CD11036[C], 1[N], 3[O],
SER151OG32317[C], 2[N], 13[O],
MET152CG1338[C], 5[O],
MET152CE22311[O], 11[C],
MET152SD1234[O], 8[C],
MET153SD23311[C], 12[O],
MET153CE26313[C], 11[O], 2[N],
MET153CG23310[C], 13[O],
SER154OG131[O],
ARG158CG1537[C], 8[O],
ARG158CD1738[C], 9[O],
ARG158NE2139[C], 12[O],
ARG158CZ1738[C], 9[O],
THR160CG2231[O], 1[C],
THR160OG1935[O], 4[C],
VAL161CG221310[C], 11[O],
VAL161CG123310[C], 13[O],
TYR164CD129316[C], 1[N], 12[O],
TYR164CE236319[C], 16[O], 1[N],
TYR164CG2731[N], 13[O], 13[C],
TYR164CD231316[C], 1[N], 14[O],
TYR164CZ41320[C], 2[N], 19[O],
TYR164CE13831[P], 21[C], 1[N], 15[O],
LYS168CE2531[N], 10[O], 14[C],
LYS168CG1631[N], 6[O], 9[C],
LYS168CD1739[C], 1[N], 7[O],
LYS168NZ20312[C], 1[N], 7[O],
LEU171CD2533[C], 2[O],
LEU171CG131[O],
ILE192CG2331[O], 2[C],
PRO194CG24314[C], 8[O], 2[N],
PRO194CD2237[O], 2[N], 13[C],
TYR196CG1939[C], 9[O], 1[N],
TYR196CZ19310[C], 9[O],
TYR196CD21338[O], 5[C],
TYR196CE21539[O], 6[C],
TYR196CD124312[C], 11[O], 1[N],
TYR196CE123310[C], 12[O], 1[N],
ILE197CD11036[C], 2[O], 2[N],
ILE197CG11736[O], 2[N], 9[C],
ILE197CG21035[C], 2[N], 3[O],
THR199CG21738[O], 2[N], 2[P], 5[C],
THR199OG11033[C], 1[P], 1[N], 5[O],
PRO200CD333[O],
GLN201CG732[C], 5[O],
GLN201CD15310[O], 2[P], 3[C],
GLN201NE21331[C], 3[P], 9[O],
GLN201OE11833[C], 2[P], 13[O],
THR202OG1934[C], 1[N], 4[O],
THR202CG21636[C], 1[N], 9[O],
GLU207OE1131[O],
LEU208CD2835[O], 3[C],
LEU208CG935[O], 4[C],
LEU208CD11036[O], 4[C],
PHE217CE21036[O], 4[C],
PHE217CE11438[O], 6[C],
PHE217CG332[O], 1[C],
PHE217CD2532[C], 3[O],
PHE217CZ1838[C], 10[O],
PHE217CD1532[C], 3[O],
ILE221CD1532[C], 3[O],
ILE221CG1232[O],
LYS224NZ131[O],
TRP230CE3231[N], 1[O],
TRP230CZ31034[O], 1[N], 5[C],
PRO233CD131[O],
PRO233CG332[O], 1[C],
LEU236CD11534[O], 2[N], 9[C],
LEU236CD2333[C],
LEU236CG531[O], 4[C],
Total = 139



Download csv file of statistical distribution of contacts