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: UPG_A_5(3JUK) / Model_45(3JUK/A) = [7.6] Download1296.9722.44MKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALDSGIEDILIVTGKEKRPIEDHFDANIELENNLREKEKTELLALVEETTQVNLHFIRQSHPRGLGDAVLQAKAFIGNEPFVVMLGDDLMKDDIPLTQQLMMDYEETQASAVAVMRVPENETSKYGIIDPKTDSEKGRCRVKGFVEKPEMGKAPSNLAIIGRYLLTPKIFEILETQEPGAGNEIQLTDALQTLNQTEAVYAREFKGKRYDVGDKLGYMKTNIEYGLQHSEIGTSLSAYIIQLSKKLRTES
Complex: UTP_A_2(5VE7) / Model_2(5VE7/A) = [6.6] Download1181.7523.86MKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALDSGIEDILIVTGKEKRPIEDHFDANIELENNLREKEKTELLALVEETTQVNLHFIRQSHPRGLGDAVLQAKAFIGNEPFVVMLGDDLMKDDIPLTQQLMMDYEETQASAVAVMRVPENETSKYGIIDPKTDSEKGRCRVKGFVEKPEMGKAPSNLAIIGRYLLTPKIFEILETQEPGAGNEIQLTDALQTLNQTEAVYAREFKGKRYDVGDKLGYMKTNIEYGLQHSEIGTSLSAYIIQLSKKLRTES
Complex: GUD_B_14(2PA4) / Model_39(2PA4/B) = [5.9] Download1093.5820.95MKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALDSGIEDILIVTGKEKRPIEDHFDANIELENNLREKEKTELLALVEETTQVNLHFIRQSHPRGLGDAVLQAKAFIGNEPFVVMLGDDLMKDDIPLTQQLMMDYEETQASAVAVMRVPENETSKYGIIDPKTDSEKGRCRVKGFVEKPEMGKAPSNLAIIGRYLLTPKIFEILETQEPGAGNEIQLTDALQTLNQTEAVYAREFKGKRYDVGDKLGYMKTNIEYGLQHSEIGTSLSAYIIQLSKKLRTES
Consensus
[pKd Mean = 6.70]		-1190
(s=83)		22
(s=1)		MKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALDSGIEDILIVTGKEKRPIEDHFDANIELENNLREKEKTELLALVEETTQVNLHFIRQSHPRGLGDAVLQAKAFIGNEPFVVMLGDDLMKDDIPLTQQLMMDYEETQASAVAVMRVPENETSKYGIIDPKTDSEKGRCRVKGFVEKPEMGKAPSNLAIIGRYLLTPKIFEILETQEPGAGNEIQLTDALQTLNQTEAVYAREFKGKRYDVGDKLGYMKTNIEYGLQHSEIGTSLSAYIIQLSKKLRTES



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]
ILE8CG21135[C], 6[O],
PRO9CG47326[C], 6[N], 15[O],
PRO9CD37319[C], 5[N], 13[O],
LEU13CG2439[C], 3[N], 10[O], 2[P],
LEU13CD21135[O], 1[N], 3[C], 2[P],
LEU13CD11333[C], 8[O], 2[P],
THR15OG11038[O], 2[P],
THR15CG2932[P], 7[O],
ARG16CZ1833[P], 1[C], 14[O],
ARG16NE1833[P], 15[O],
ARG16CG1232[P], 10[O],
ARG16CD1138[O], 3[P],
PHE17CZ131[O],
PHE17CG131[O],
PHE17CD2131[O],
PHE17CD1634[O], 2[P],
PHE17CE1232[O],
LEU18CG232[O],
LEU18CD1232[O],
THR21CG2232[O],
THR21OG1433[O], 1[P],
LYS26CG3334[P], 12[C], 17[O],
LYS26CD4635[P], 1[N], 27[O], 13[C],
LYS26NZ6437[P], 2[N], 35[O], 20[C],
LYS26CE5537[P], 17[C], 2[N], 29[O],
GLU27OE24232[P], 18[C], 4[N], 18[O],
GLU27CD47320[O], 3[N], 21[C], 3[P],
GLU27OE15433[P], 5[N], 23[O], 23[C],
GLU27CG30315[C], 14[O], 1[N],
THR36CG2131[O],
ILE37CD1232[O],
VAL55CG21234[C], 4[N], 4[O],
VAL55CG12739[O], 6[N], 12[C],
GLU59OE1131[O],
LYS60CD432[O], 2[C],
LYS60CG131[O],
LYS60NZ1236[C], 2[N], 4[O],
LYS60CE633[C], 3[O],
ILE63CD1333[O],
ILE63CG1131[O],
GLN102CG2436[N], 6[O], 12[C],
GLN102CD3036[N], 9[O], 15[C],
GLN102NE23136[N], 9[O], 16[C],
GLN102OE13436[N], 11[O], 17[C],
PRO105CG1834[N], 4[O], 10[C],
PRO105CD1333[N], 3[O], 7[C],
ARG106CD333[O],
ARG106CG733[C], 1[N], 3[O],
LEU108CD288338[O], 6[N], 39[C], 5[P],
LEU108CG84337[C], 36[O], 6[N], 5[P],
LEU108CD17535[P], 6[N], 31[O], 33[C],
ASP110OD21033[O], 3[N], 4[C],
ASP110CG933[C], 3[N], 3[O],
VAL112CG21537[C], 2[N], 6[O],
GLN114NE2532[O], 1[N], 2[C],
GLN114OE1331[N], 1[O], 1[C],
GLN114CD431[N], 2[O], 1[C],
VAL126CG1835[O], 3[C],
LEU128CD17135[P], 3[N], 32[O], 31[C],
LEU128CG6634[P], 28[C], 3[N], 31[O],
LEU128CD27133[N], 32[O], 32[C], 4[P],
ASP130OD26736[P], 26[C], 1[N], 34[O],
ASP130OD174328[C], 36[O], 3[N], 7[P],
ASP130CG63335[O], 1[N], 21[C], 6[P],
ASP131OD23532[P], 16[O], 17[C],
ASP131CG2331[P], 12[C], 10[O],
ASP131OD11931[P], 8[C], 10[O],
VAL155CG2331[C], 2[O],
LYS167CD232[O],
LYS167CG431[P], 3[O],
TYR168CG30316[O], 12[C], 2[P],
TYR168CE11537[O], 8[C],
TYR168CZ2332[P], 12[O], 9[C],
TYR168CD12131[P], 8[C], 12[O],
TYR168CE231317[O], 12[C], 2[P],
TYR168CD232318[O], 12[C], 2[P],
ILE170CG1434[O],
ILE170CD1434[O],
PHE187CG231[O], 1[C],
PHE187CZ1035[O], 5[C],
PHE187CE1733[O], 4[C],
PHE187CE2633[C], 3[O],
PHE187CD1432[O], 2[C],
PHE187CD2332[O], 1[C],
GLU189CG2632[P], 14[O], 10[C],
GLU189OE242324[O], 14[C], 4[P],
GLU189CD3032[P], 16[O], 12[C],
GLU189OE13032[P], 16[O], 12[C],
LYS190CD29316[O], 10[C], 3[P],
LYS190NZ43314[C], 25[O], 4[P],
LYS190CG28316[O], 10[C], 2[P],
LYS190CE36322[O], 10[C], 4[P],
ILE202CG224312[C], 12[O],
ILE202CD11436[O], 8[C],
ILE202CG119311[C], 8[O],
ILE203CD1432[C], 2[O],
ILE203CG21136[C], 5[O],
ILE203CG11135[O], 6[C],
TYR206CZ26312[O], 14[C],
TYR206CD1832[O], 6[C],
TYR206CD2732[O], 5[C],
TYR206CE22339[O], 14[C],
TYR206CE12239[O], 13[C],
GLU226CG1532[N], 5[O], 8[C],
GLU226OE151319[C], 6[N], 21[O], 5[P],
GLU226OE22732[P], 12[O], 4[N], 9[C],
GLU226CD3032[P], 12[O], 5[N], 11[C],
GLN228NE22032[P], 7[C], 11[O],
GLN228CD19310[O], 7[C], 2[P],
GLN228CG632[C], 4[O],
GLN228OE13334[P], 13[C], 16[O],
LEU229CG632[C], 4[O],
LEU229CD2633[C], 3[O],
THR230OG120310[O], 10[C],
THR230CG21135[O], 6[C],
LEU233CD1131[O],
ARG251CZ1436[C], 8[O],
ARG251CD432[O], 2[C],
ARG251CG432[C], 2[O],
ARG251NE1135[O], 6[C],
ASP253OD12633[P], 7[C], 16[O],
ASP253OD22433[P], 15[O], 6[C],
ASP253CG2034[C], 14[O], 2[P],
VAL254CG2333[O],
ASP256OD2232[O],
ASP256OD11038[O], 2[P],
ASP256CG535[O],
Total = 127



Download csv file of statistical distribution of contacts