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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: GLU_A_3(2JFO) / Model_6(2JFO/A) = [4.4] Download10131.9026.01MNNNNSPIGMIDSGLGGLSLFKHIREALPNEDIIYFADSKYVPYGNRESDWIVSRTTHLISNLVAHGKCKAIVIACNTMTAVAVETIRAQINVPLISIEPAVKPAVAMTVSKHIAVLATATTVKGKNLKSLIETYAQDIKVSLVPCIGLAEKIETGKAHTAEVKDYLKNILAPLVEQKVDTIILGCTHYPFVSDTIQEIVGRDIQIIEPSEAVTAQLIRQLNQYHLSSESPNEGNHIIWTSSDPLEVADVTFSLLSEKLSVKAVEL
Complex: DGL_A_3(2JFP) / Model_7(2JFP/A) = [4.2] Download236.3214.05MNNNNSPIGMIDSGLGGLSLFKHIREALPNEDIIYFADSKYVPYGNRESDWIVSRTTHLISNLVAHGKCKAIVIACNTMTAVAVETIRAQINVPLISIEPAVKPAVAMTVSKHIAVLATATTVKGKNLKSLIETYAQDIKVSLVPCIGLAEKIETGKAHTAEVKDYLKNILAPLVEQKVDTIILGCTHYPFVSDTIQEIVGRDIQIIEPSEAVTAQLIRQLNQYHLSSESPNEGNHIIWTSSDPLEVADVTFSLLSEKLSVKAVEL
Complex: TLA_A_2(2JFW) / Model_3(2JFW/A) = [3.3] Download469.5011.52MNNNNSPIGMIDSGLGGLSLFKHIREALPNEDIIYFADSKYVPYGNRESDWIVSRTTHLISNLVAHGKCKAIVIACNTMTAVAVETIRAQINVPLISIEPAVKPAVAMTVSKHIAVLATATTVKGKNLKSLIETYAQDIKVSLVPCIGLAEKIETGKAHTAEVKDYLKNILAPLVEQKVDTIILGCTHYPFVSDTIQEIVGRDIQIIEPSEAVTAQLIRQLNQYHLSSESPNEGNHIIWTSSDPLEVADVTFSLLSEKLSVKAVEL
Consensus
[pKd Mean = 3.97]		-3612
(s=4610)		17
(s=6)		MNNNNSPIGMIDSGLGGLSLFKHIREALPNEDIIYFADSKYVPYGNRESDWIVSRTTHLISNLVAHGKCKAIVIACNTMTAVAVETIRAQINVPLISIEPAVKPAVAMTVSKHIAVLATATTVKGKNLKSLIETYAQDIKVSLVPCIGLAEKIETGKAHTAEVKDYLKNILAPLVEQKVDTIILGCTHYPFVSDTIQEIVGRDIQIIEPSEAVTAQLIRQLNQYHLSSESPNEGNHIIWTSSDPLEVADVTFSLLSEKLSVKAVEL



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]
ILE11O431[O], 1[C], 2[N],
ILE11C331[C], 2[N],
ASP12CB1732[N], 8[C], 7[O],
ASP12OD128312[O], 14[C], 2[N],
ASP12O832[N], 4[C], 2[O],
ASP12OD227312[O], 13[C], 2[N],
ASP12CA1638[C], 2[N], 6[O],
ASP12C18310[C], 2[N], 6[O],
ASP12CG27314[C], 2[N], 11[O],
ASP12N532[N], 3[C],
SER13C2137[O], 2[N], 12[C],
SER13OG3032[N], 14[C], 14[O],
SER13N28312[O], 2[N], 14[C],
SER13O1739[C], 2[N], 6[O],
SER13CB30314[C], 2[N], 14[O],
SER13CA28314[C], 2[N], 12[O],
GLY14O332[N], 1[O],
GLY14N2432[N], 13[C], 9[O],
GLY14C1434[O], 2[N], 8[C],
GLY14CA17310[C], 2[N], 5[O],
LEU15CA432[N], 2[O],
LEU15N1032[N], 6[C], 2[O],
LEU15C732[N], 3[C], 2[O],
LEU15O332[N], 1[O],
GLY16CA2432[N], 13[C], 9[O],
GLY16C1433[O], 2[N], 9[C],
GLY16N20312[C], 2[N], 6[O],
GLY16O933[O], 4[C], 2[N],
GLY17N1332[N], 8[C], 3[O],
GLY17CA932[N], 4[C], 3[O],
GLY17C232[N],
LEU18N232[N],
SER19OG231[O], 1[N],
ASP38CB131[O],
ASP38C232[O],
ASP38O232[O],
SER39O131[O],
TYR41CB131[O],
TYR41O634[O], 2[C],
TYR41C634[O], 2[C],
TYR41CA232[O],
VAL42CA1437[C], 7[O],
VAL42O732[C], 5[O],
VAL42N735[O], 2[C],
VAL42C1136[O], 5[C],
VAL42CG11337[C], 1[N], 5[O],
VAL42CG221311[C], 2[N], 8[O],
VAL42CB1838[O], 8[C], 2[N],
PRO43N1638[C], 8[O],
PRO43C19311[C], 8[O],
PRO43O1437[O], 7[C],
PRO43CG1537[O], 8[C],
PRO43CB2131[N], 12[C], 8[O],
PRO43CA2031[N], 11[C], 8[O],
PRO43CD1135[C], 6[O],
TYR44CA27311[O], 14[C], 2[N],
TYR44CD11738[C], 2[N], 7[O],
TYR44C26311[O], 1[N], 14[C],
TYR44CE21531[N], 8[C], 6[O],
TYR44CG23310[O], 11[C], 2[N],
TYR44O1436[O], 8[C],
TYR44CB28312[O], 2[N], 14[C],
TYR44CE11034[O], 6[C],
TYR44CZ835[C], 3[O],
TYR44CD221310[C], 2[N], 9[O],
TYR44N27314[C], 2[N], 11[O],
GLY45CA27312[O], 14[C], 1[N],
GLY45N2832[N], 14[C], 12[O],
GLY45O1337[O], 6[C],
GLY45C1638[C], 8[O],
ASN46CA532[C], 3[O],
ASN46C232[O],
ASN46N1337[C], 6[O],
ASN46OD1232[O],
ASN46ND2232[O],
ASN46CG232[O],
ASN46CB232[O],
ARG47NE632[C], 4[O],
ARG47CZ131[O],
ARG47CB232[O],
ARG47CD632[C], 4[O],
ARG47CG531[C], 4[O],
ARG47N632[C], 4[O],
ILE52CG1433[O], 1[C],
ILE52CG2231[O], 1[C],
ILE52CD11036[O], 4[C],
ILE74C232[O],
ILE74O731[N], 3[C], 3[O],
ALA75O2032[N], 11[C], 7[O],
ALA75C1637[C], 2[N], 7[O],
ALA75CB632[O], 2[C], 2[N],
ALA75CA1034[O], 4[C], 2[N],
ALA75N432[O], 1[C], 1[N],
CYS76CB27311[O], 2[N], 14[C],
CYS76SG29313[O], 14[C], 2[N],
CYS76N2038[O], 2[N], 10[C],
CYS76C2232[N], 12[C], 8[O],
CYS76O2038[O], 2[N], 10[C],
CYS76CA26314[C], 2[N], 10[O],
ASN77C22312[C], 2[N], 8[O],
ASN77CA2138[O], 11[C], 2[N],
ASN77ND21832[N], 8[C], 8[O],
ASN77N2532[N], 14[C], 9[O],
ASN77CG2038[O], 2[N], 10[C],
ASN77OD119310[C], 2[N], 7[O],
ASN77O1737[O], 8[C], 2[N],
ASN77CB22312[C], 2[N], 8[O],
THR78CB30314[O], 2[N], 14[C],
THR78OG130314[O], 14[C], 2[N],
THR78N2932[N], 14[C], 13[O],
THR78CG22932[N], 14[C], 13[O],
THR78CA28312[O], 2[N], 14[C],
THR78O1336[O], 7[C],
THR78C26312[O], 2[N], 12[C],
MET79N24310[O], 2[N], 12[C],
MET79CA1431[N], 7[C], 6[O],
MET79SD1033[O], 1[N], 6[C],
MET79CG2038[O], 10[C], 2[N],
MET79CE1635[O], 2[N], 9[C],
MET79CB1336[O], 6[C], 1[N],
MET79C532[C], 3[O],
THR80N835[O], 3[C],
THR80CB534[O], 1[C],
THR80OG1632[C], 4[O],
THR80CA232[O],
ALA81N232[O],
ALA81CB333[O],
ILE98CG1131[O],
ILE98CD1331[C], 2[O],
LEU117O434[O],
ALA118CA1235[O], 7[C],
ALA118N232[O],
ALA118O434[O],
ALA118CB1136[O], 5[C],
ALA118C1938[O], 11[C],
THR119C1937[O], 12[C],
THR119CA26314[C], 12[O],
THR119O832[C], 6[O],
THR119N25310[O], 14[C], 1[N],
THR119CG23032[N], 14[C], 14[O],
THR119OG130314[O], 14[C], 2[N],
THR119CB30314[O], 14[C], 2[N],
ALA120CA232[O],
ALA120N1136[O], 5[C],
THR121CA836[O], 2[C],
THR121OG11838[C], 10[O],
THR121N937[O], 2[C],
THR121C732[C], 5[O],
THR121CG2936[O], 3[C],
THR121CB18310[C], 8[O],
THR122CG21034[C], 6[O],
THR122OG127314[C], 2[N], 11[O],
THR122C331[C], 2[O],
THR122N1135[C], 6[O],
THR122CB1637[O], 9[C],
THR122CA1036[O], 4[C],
VAL123N131[O],
CYS146O232[O],
ILE147CG1232[O],
ILE147C232[O],
ILE147CB232[O],
ILE147CG2131[O],
ILE147O533[O], 2[C],
ILE147CA232[O],
ILE147CD1331[C], 2[O],
LEU149C331[O], 2[C],
ALA150CA1837[O], 9[C], 2[N],
ALA150N1135[O], 6[C],
ALA150CB2539[O], 2[N], 14[C],
ALA150O1135[C], 6[O],
ALA150C1136[O], 5[C],
GLU151N834[O], 4[C],
ILE153CD1231[C], 1[N],
GLU154OE21937[O], 10[C], 2[N],
GLU154CB131[O],
GLU154CG1135[C], 6[O],
GLU154CD1236[C], 1[N], 5[O],
GLU154OE1735[O], 2[C],
LEU184C232[O],
LEU184O532[C], 3[O],
GLY185O21311[C], 2[N], 8[O],
GLY185N534[O], 1[C],
GLY185C1836[O], 2[N], 10[C],
GLY185CA833[C], 5[O],
CYS186CB29313[O], 2[N], 14[C],
CYS186C22313[C], 2[N], 7[O],
CYS186CA26310[O], 2[N], 14[C],
CYS186N1936[O], 2[N], 11[C],
CYS186SG30314[O], 2[N], 14[C],
CYS186O19310[C], 2[N], 7[O],
THR187CB2032[N], 11[C], 7[O],
THR187CA20311[C], 2[N], 7[O],
THR187C19310[C], 2[N], 7[O],
THR187N24314[C], 2[N], 8[O],
THR187OG12732[N], 14[C], 11[O],
THR187CG21937[O], 10[C], 2[N],
THR187O1536[O], 2[N], 7[C],
HIS188C1136[C], 2[N], 3[O],
HIS188CG2932[N], 14[C], 13[O],
HIS188O331[C], 2[N],
HIS188N26310[O], 14[C], 2[N],
HIS188CA19311[C], 2[N], 6[O],
HIS188CB28314[C], 2[N], 12[O],
HIS188NE229313[O], 14[C], 2[N],
HIS188CE130314[O], 14[C], 2[N],
HIS188CD228312[O], 14[C], 2[N],
HIS188ND13032[N], 14[C], 14[O],
TYR189N1234[O], 2[N], 6[C],
TYR189CA332[O], 1[N],
TYR189CD11437[C], 2[N], 5[O],
TYR189CB232[O],
TYR189CG831[N], 3[C], 4[O],
TYR189CZ1837[O], 10[C], 1[N],
TYR189CE123313[C], 2[N], 8[O],
TYR189CE2835[O], 3[C],
TYR189CD2634[O], 2[C],
PRO190CD332[O], 1[N],
PRO209CB232[O],
PRO209CG232[O],
SER210N232[O],
SER210OG131[O],
SER210CB232[O],
Total = 222



Download csv file of statistical distribution of contacts