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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: DI6_A_3(2Q09) / Model_81(2Q09/A) = [4.3] Download364.0113.67MGSFEDRLMKKLWRNCHIATMQNGQYSYIEDAAIVTEGHLIHWIGKQQQLPADTYSETVDLNDAWVTPGFIDCHTHSVFGGNRSVEFEKRLQGVSYAEIAASGGGIASTVRATREASEEQLLNSALKRIRRMQQDGVTTIEIKSGYGLNYENERKMLRVIRQIGEKLPMTVKSTCLAAHALPPEYKDQSDAYIEHICTEMLPKLHAEGLVDAVDAFCEHLAFSPAQVERVFKTAQSLGLPVKLHAEQLSSLGGSSLAARYHALSADHLEYMTEDDVKAMAASGTVAVLLPGAFYLLRETQYPPIESLIKHGVRIALSSDLNPGTSPALSLRLMLNMGSTLFRLTPEQALAGVTIHAAQALGLEQTHGSLEQGKVADFVAWDIEHPSEIVYWLGGDLPKRVVQHGQEVIF
Complex: IZC_A_5(2G3F) / Model_6(2G3F/A) = [3.7] Download161.334.87MGSFEDRLMKKLWRNCHIATMQNGQYSYIEDAAIVTEGHLIHWIGKQQQLPADTYSETVDLNDAWVTPGFIDCHTHSVFGGNRSVEFEKRLQGVSYAEIAASGGGIASTVRATREASEEQLLNSALKRIRRMQQDGVTTIEIKSGYGLNYENERKMLRVIRQIGEKLPMTVKSTCLAAHALPPEYKDQSDAYIEHICTEMLPKLHAEGLVDAVDAFCEHLAFSPAQVERVFKTAQSLGLPVKLHAEQLSSLGGSSLAARYHALSADHLEYMTEDDVKAMAASGTVAVLLPGAFYLLRETQYPPIESLIKHGVRIALSSDLNPGTSPALSLRLMLNMGSTLFRLTPEQALAGVTIHAAQALGLEQTHGSLEQGKVADFVAWDIEHPSEIVYWLGGDLPKRVVQHGQEVIF
Consensus
[pKd Mean = 4.00]		-262
(s=101)		9
(s=4)		MGSFEDRLMKKLWRNCHIATMQNGQYSYIEDAAIVTEGHLIHWIGKQQQLPADTYSETVDLNDAWVTPGFIDCHTHSVFGGNRSVEFEKRLQGVSYAEIAASGGGIASTVRATREASEEQLLNSALKRIRRMQQDGVTTIEIKSGYGLNYENERKMLRVIRQIGEKLPMTVKSTCLAAHALPPEYKDQSDAYIEHICTEMLPKLHAEGLVDAVDAFCEHLAFSPAQVERVFKTAQSLGLPVKLHAEQLSSLGGSSLAARYHALSADHLEYMTEDDVKAMAASGTVAVLLPGAFYLLRETQYPPIESLIKHGVRIALSSDLNPGTSPALSLRLMLNMGSTLFRLTPEQALAGVTIHAAQALGLEQTHGSLEQGKVADFVAWDIEHPSEIVYWLGGDLPKRVVQHGQEVIF



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]
HIS74NE21428[C], 2[O], 4[N],
HIS74CE11222[O], 4[N], 6[C],
HIS74CD21122[O], 3[N], 6[C],
HIS76N121[C],
HIS76O422[C], 2[O],
HIS76CG2126[O], 4[N], 11[C],
HIS76CD22025[O], 4[N], 11[C],
HIS76ND12126[O], 4[N], 11[C],
HIS76CA321[O], 2[C],
HIS76CB1323[O], 2[N], 8[C],
HIS76CE121211[C], 6[O], 4[N],
HIS76NE22126[O], 4[N], 11[C],
PHE79CD1121[O],
PHE79CG222[O],
PHE79CB222[O],
PHE79CD2121[O],
ARG83CB624[O], 2[C],
ARG83CZ1324[O], 1[N], 8[C],
ARG83NE925[C], 4[O],
ARG83CG622[C], 4[O],
ARG83CD622[C], 4[O],
GLU86OE2222[O],
GLU86CD121[O],
GLU86OE1322[O], 1[C],
TYR96CB321[C], 1[O], 1[N],
TYR96CG922[N], 2[O], 5[C],
TYR96CD2925[C], 2[O], 2[N],
TYR96O121[O],
TYR96CD1925[C], 2[O], 2[N],
TYR96CE2925[C], 2[N], 2[O],
TYR96CZ925[C], 2[N], 2[O],
TYR96CA121[O],
TYR96CE1922[N], 2[O], 5[C],
TYR96C121[O],
ALA100CB121[O],
GLY104C121[O],
GLY104O222[O],
GLY105C925[C], 4[O],
GLY105O724[O], 3[C],
GLY105N423[O], 1[C],
GLY105CA724[O], 3[C],
ILE106CG21528[C], 4[O], 3[N],
ILE106CA1328[C], 1[N], 4[O],
ILE106C824[C], 4[O],
ILE106CG11825[O], 3[N], 10[C],
ILE106CD120211[C], 4[N], 5[O],
ILE106O824[O], 4[C],
ILE106N1328[C], 1[N], 4[O],
ILE106CB1723[N], 4[O], 10[C],
ALA107N622[C], 4[O],
SER108OG121[O],
SER108N121[O],
THR109OG1824[C], 4[O],
THR109CG2824[O], 4[C],
THR109O121[O],
THR109C222[O],
THR109CB824[O], 4[C],
THR109N523[O], 2[C],
THR109CA523[O], 2[C],
VAL110N222[O],
VAL110CG2121[O],
LYS143CD421[O], 2[N], 1[C],
LYS143CE121[N],
GLY145C222[O],
GLY145O822[O], 2[N], 4[C],
TYR146CG723[O], 4[C],
TYR146CD21021[N], 4[O], 5[C],
TYR146CZ17211[C], 2[N], 4[O],
TYR146CE21522[N], 4[O], 9[C],
TYR146CB322[O], 1[C],
TYR146CA222[O],
TYR146CE11424[O], 2[N], 8[C],
TYR146CD11023[O], 1[N], 6[C],
LEU176CD21221[O], 4[N], 7[C],
LEU176CD1421[O], 2[N], 1[C],
LEU176CG522[C], 1[O], 2[N],
ALA178C121[O],
ALA178O121[O],
HIS179CB1329[C], 2[O], 2[N],
HIS179CE121211[C], 4[N], 6[O],
HIS179ND12024[N], 5[O], 11[C],
HIS179CA623[C], 2[N], 1[O],
HIS179N121[O],
HIS179O1621[O], 4[N], 11[C],
HIS179CD22126[O], 4[N], 11[C],
HIS179NE22126[O], 4[N], 11[C],
HIS179C623[C], 2[N], 1[O],
HIS179CG20211[C], 5[O], 4[N],
ALA180N221[N], 1[O],
ALA180CB221[O], 1[N],
ASP214OD1121[O],
ASP214OD2121[O],
ASP214CG121[O],
ALA215CA121[O],
ALA215O322[C], 1[O],
ALA215C322[C], 1[O],
PHE216CD11428[C], 2[O], 4[N],
PHE216CA724[N], 1[O], 2[C],
PHE216CZ17210[C], 3[O], 4[N],
PHE216CB1121[O], 4[N], 6[C],
PHE216O322[C], 1[O],
PHE216CD21824[N], 4[O], 10[C],
PHE216N522[C], 1[O], 2[N],
PHE216CE21824[N], 4[O], 10[C],
PHE216C622[C], 3[N], 1[O],
PHE216CG1523[O], 4[N], 8[C],
PHE216CE11624[N], 3[O], 9[C],
CYS217C121[O],
CYS217O121[O],
CYS217CA121[O],
CYS217N322[C], 1[O],
GLU218CG321[O], 1[N], 1[C],
GLU218CB321[C], 1[N], 1[O],
GLU218OE1221[O], 1[N],
GLU218OE2221[C], 1[N],
ALA221CB221[C], 1[O],
ALA221CA121[O],
LEU243C121[O],
LEU243CD2121[O],
HIS244ND11327[C], 2[O], 4[N],
HIS244N421[O], 1[N], 2[C],
HIS244C522[N], 1[O], 2[C],
HIS244NE216210[C], 2[O], 4[N],
HIS244CG1422[O], 4[N], 8[C],
HIS244CE11524[N], 2[O], 9[C],
HIS244CA823[C], 4[N], 1[O],
HIS244CD21624[N], 2[O], 10[C],
HIS244O521[O], 2[N], 2[C],
HIS244CB1226[C], 2[O], 4[N],
ALA245N221[N], 1[O],
GLN247N222[N],
GLN247CD17210[C], 3[O], 4[N],
GLN247CG1322[O], 4[N], 7[C],
GLN247CB1226[C], 2[O], 4[N],
GLN247C222[N],
GLN247OE117210[C], 4[N], 3[O],
GLN247NE217210[C], 4[N], 3[O],
GLN247CA622[C], 2[O], 2[N],
LEU248CD1822[O], 2[N], 4[C],
LEU248CD2421[O], 2[N], 1[C],
LEU248CG822[N], 2[O], 4[C],
LEU248N222[N],
ASP266O221[O], 1[N],
HIS267CB824[C], 2[N], 2[O],
HIS267CG1222[O], 4[N], 6[C],
HIS267CD21424[N], 2[O], 8[C],
HIS267NE217210[C], 4[N], 3[O],
HIS267ND11224[N], 2[O], 6[C],
HIS267CE11422[O], 4[N], 8[C],
LEU289CB221[C], 1[O],
LEU289CG121[O],
LEU289CD11226[C], 4[N], 2[O],
LEU289O121[O],
ALA292N121[O],
ALA292CB1228[C], 1[O], 3[N],
ALA292O221[O], 1[C],
ALA292C221[O], 1[C],
ALA292CA622[N], 1[O], 3[C],
PHE293N121[O],
LEU296CG722[N], 1[O], 4[C],
LEU296CD11023[N], 2[O], 5[C],
LEU296CB121[O],
LEU296CD21022[N], 3[O], 5[C],
ASP319CA621[O], 5[C],
ASP319C621[O], 5[C],
ASP319CB1121[O], 4[N], 6[C],
ASP319O1623[O], 4[N], 9[C],
ASP319CG18210[C], 4[N], 4[O],
ASP319OD219211[C], 4[N], 4[O],
ASP319OD118210[C], 4[O], 4[N],
LEU320C624[C], 2[O],
LEU320O622[O], 4[C],
ASN321CA1521[N], 5[O], 9[C],
ASN321CG21211[C], 6[O], 4[N],
ASN321CB20211[C], 5[O], 4[N],
ASN321N1027[C], 3[O],
ASN321O1325[O], 8[C],
ASN321C1228[C], 4[O],
ASN321OD121211[C], 6[O], 4[N],
ASN321ND22124[N], 6[O], 11[C],
PRO322CA925[C], 4[O],
PRO322C1124[O], 7[C],
PRO322O924[O], 5[C],
PRO322N1127[C], 4[O],
PRO322CG925[C], 4[O],
PRO322CD1127[C], 4[O],
PRO322CB824[C], 4[O],
GLY323O1429[C], 5[O],
GLY323CA1725[O], 3[N], 9[C],
GLY323N1629[C], 5[O], 2[N],
GLY323C1825[O], 4[N], 9[C],
THR324C1725[O], 3[N], 9[C],
THR324N20211[C], 5[O], 4[N],
THR324O1323[O], 1[N], 9[C],
THR324OG12126[O], 4[N], 11[C],
THR324CB21211[C], 6[O], 4[N],
THR324CA2024[N], 5[O], 11[C],
THR324CG221211[C], 6[O], 4[N],
SER325N1521[N], 5[O], 9[C],
SER325OG121[O],
SER325CB827[C], 1[O],
SER325CA922[O], 7[C],
Total = 202



Download csv file of statistical distribution of contacts