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: HDT_A_2(1OIT) / Model_13(1OIT/A) = [5.1] Download842.4920.54MSRYQCSLCQLETLENDLNFCVCCRAAVCAKCTLACYPNRKSVGLCVRCTPPDYGFACGRCRRHISYGDIEFFCDMCAVPICFTCVASGTSFECGQLKCSLCCECPMSQAPRNLVVRHEVDDAMLRQLPIPLVSSATPLAAPPPQARAAAAAVAATKSTKYRKLFGREKLGEGAQGVVYKCHTEENEVVVVKEMVFNDTDVTAFEAQARQVERMRQLNHPHLIRYLDVSVQKDPLRICVVMPFYSEGDLKKFIERQRKPVTEVKLCSIVLQIAGALNYLHRQEPPLVHRDIKPENILLLNHEEQVLLMDLDLCRTVDVTASVIKRRELSPTYEYRAPELEKSHGDTKADVFSLGVVMFVLATLPDFPCVRTDSGEMLVFSASKWSPSSLKRAIQREIRRVQRYTYSEEFIRLVVAMLVHQPAARPTSGAVIYRLQKIMEQRLMEGKE
Complex: 1RO_A_5(4EON) / Model_10(4EON/A) = [4.7] Download617.7128.25MSRYQCSLCQLETLENDLNFCVCCRAAVCAKCTLACYPNRKSVGLCVRCTPPDYGFACGRCRRHISYGDIEFFCDMCAVPICFTCVASGTSFECGQLKCSLCCECPMSQAPRNLVVRHEVDDAMLRQLPIPLVSSATPLAAPPPQARAAAAAVAATKSTKYRKLFGREKLGEGAQGVVYKCHTEENEVVVVKEMVFNDTDVTAFEAQARQVERMRQLNHPHLIRYLDVSVQKDPLRICVVMPFYSEGDLKKFIERQRKPVTEVKLCSIVLQIAGALNYLHRQEPPLVHRDIKPENILLLNHEEQVLLMDLDLCRTVDVTASVIKRRELSPTYEYRAPELEKSHGDTKADVFSLGVVMFVLATLPDFPCVRTDSGEMLVFSASKWSPSSLKRAIQREIRRVQRYTYSEEFIRLVVAMLVHQPAARPTSGAVIYRLQKIMEQRLMEGKE
Consensus
[pKd Mean = 4.90]		-730
(s=112)		24
(s=3)		MSRYQCSLCQLETLENDLNFCVCCRAAVCAKCTLACYPNRKSVGLCVRCTPPDYGFACGRCRRHISYGDIEFFCDMCAVPICFTCVASGTSFECGQLKCSLCCECPMSQAPRNLVVRHEVDDAMLRQLPIPLVSSATPLAAPPPQARAAAAAVAATKSTKYRKLFGREKLGEGAQGVVYKCHTEENEVVVVKEMVFNDTDVTAFEAQARQVERMRQLNHPHLIRYLDVSVQKDPLRICVVMPFYSEGDLKKFIERQRKPVTEVKLCSIVLQIAGALNYLHRQEPPLVHRDIKPENILLLNHEEQVLLMDLDLCRTVDVTASVIKRRELSPTYEYRAPELEKSHGDTKADVFSLGVVMFVLATLPDFPCVRTDSGEMLVFSASKWSPSSLKRAIQREIRRVQRYTYSEEFIRLVVAMLVHQPAARPTSGAVIYRLQKIMEQRLMEGKE



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]
GLU168OE2521[O], 4[C],
GLU168CD121[O],
LYS169O421[O], 1[N], 2[C],
LYS169C323[C],
LEU170C2922[S], 3[O], 4[N], 20[C],
LEU170CB4322[S], 3[O], 7[N], 31[C],
LEU170CD23022[S], 3[O], 6[N], 19[C],
LEU170CG3922[S], 2[O], 6[N], 29[C],
LEU170CD14322[S], 2[O], 7[N], 32[C],
LEU170N1922[S], 1[O], 4[N], 12[C],
LEU170O2722[S], 2[O], 4[N], 19[C],
LEU170CA3122[S], 3[O], 4[N], 22[C],
GLY171C2122[S], 1[O], 5[N], 13[C],
GLY171O2022[S], 1[O], 3[N], 14[C],
GLY171N3122[S], 2[O], 5[N], 22[C],
GLY171CA2722[S], 2[O], 6[N], 17[C],
GLU172CB821[S], 6[C], 1[N],
GLU172CA1621[S], 11[C], 4[N],
GLU172N1621[S], 11[C], 4[N],
GLU172C2022[S], 1[O], 4[N], 13[C],
GLU172CG321[S], 2[C],
GLU172O2022[S], 1[O], 4[N], 13[C],
GLY173C1722[S], 3[N], 12[C],
GLY173CA2322[S], 1[O], 4[N], 16[C],
GLY173O1122[S], 7[C], 2[N],
GLY173N2222[S], 1[O], 4[N], 15[C],
ALA174CA722[S], 1[N], 4[C],
ALA174CB521[S], 1[N], 3[C],
ALA174N1522[S], 3[N], 10[C],
ALA174C321[N], 2[C],
GLN175C421[S], 1[N], 2[C],
GLN175CA121[N],
GLN175N622[S], 1[N], 3[C],
GLN175O822[S], 4[C], 2[N],
GLY176O1422[S], 3[N], 9[C],
GLY176N121[C],
GLY176C521[S], 4[C],
VAL177CB121[C],
VAL177CA721[S], 6[C],
VAL177N321[S], 2[C],
VAL177C1422[S], 2[N], 10[C],
VAL177CG1321[S], 2[C],
VAL177O922[S], 1[N], 6[C],
VAL178CB4322[S], 1[O], 8[N], 32[C],
VAL178N2622[S], 1[O], 4[N], 19[C],
VAL178CG23822[S], 1[O], 6[N], 29[C],
VAL178C2922[S], 1[O], 4[N], 22[C],
VAL178CG14422[S], 1[O], 8[N], 33[C],
VAL178CA3222[S], 1[O], 5[N], 24[C],
VAL178O2221[S], 1[O], 3[N], 17[C],
TYR179C1825[N], 13[C],
TYR179N2321[S], 1[O], 2[N], 19[C],
TYR179CA722[N], 5[C],
TYR179O2225[N], 17[C],
LYS180CE521[N], 4[C],
LYS180N1624[N], 12[C],
LYS180CA1424[N], 10[C],
LYS180CB1223[N], 9[C],
LYS180CD826[C], 2[N],
LYS180NZ222[C],
LYS180CG926[C], 3[N],
VAL188O321[N], 2[C],
VAL188C121[N],
VAL188CG1221[C], 1[N],
VAL189CA822[N], 6[C],
VAL189O1724[N], 13[C],
VAL189C1724[N], 13[C],
VAL189N321[C], 2[N],
VAL189CB222[C],
VAL190O1924[N], 15[C],
VAL190CA2821[O], 6[N], 21[C],
VAL190CB3521[S], 1[O], 7[N], 26[C],
VAL190C2426[N], 18[C],
VAL190N1924[N], 15[C],
VAL190CG14022[S], 1[O], 7[N], 30[C],
VAL190CG23621[S], 1[O], 7[N], 27[C],
VAL191CA10210[C],
VAL191O1821[S], 1[O], 1[N], 15[C],
VAL191C1521[S], 1[N], 13[C],
VAL191N2024[N], 16[C],
LYS192CD2522[S], 1[O], 4[N], 18[C],
LYS192NZ2722[S], 1[O], 5[N], 19[C],
LYS192N1321[S], 2[N], 10[C],
LYS192C121[S],
LYS192CA1521[S], 2[N], 12[C],
LYS192CE2922[S], 1[O], 5[N], 21[C],
LYS192CG2522[S], 1[O], 4[N], 18[C],
LYS192CB2121[S], 4[N], 16[C],
GLN210NE2921[S], 2[N], 6[C],
GLN210CG121[S],
GLN210CD521[S], 1[N], 3[C],
GLN210OE1521[S], 1[N], 3[C],
ILE223CA1021[N], 9[C],
ILE223CG22621[S], 1[O], 7[N], 17[C],
ILE223CD12921[S], 1[O], 7[N], 20[C],
ILE223O323[C],
ILE223CG12321[S], 1[O], 6[N], 15[C],
ILE223C626[C],
ILE223CB2121[S], 1[O], 4[N], 15[C],
ILE223N222[C],
ARG224N424[C],
ARG224C222[C],
ARG224CA222[C],
ARG224O727[C],
TYR225CE2821[S], 1[N], 6[C],
TYR225CZ721[S], 1[N], 5[C],
TYR225CD2321[S], 2[C],
TYR225CE1121[C],
VAL239CB121[C],
VAL239CG1321[S], 2[C],
VAL239O424[C],
VAL239C121[C],
VAL240C626[C],
VAL240O121[C],
MET241N1322[N], 11[C],
MET241C1523[N], 12[C],
MET241CA1622[N], 14[C],
MET241CG2521[S], 1[O], 5[N], 18[C],
MET241CE3021[S], 1[O], 7[N], 21[C],
MET241SD3121[S], 1[O], 7[N], 22[C],
MET241O1523[N], 12[C],
MET241CB2521[S], 1[O], 5[N], 18[C],
PRO242CB722[N], 5[C],
PRO242CG822[N], 6[C],
PRO242C1924[N], 15[C],
PRO242CA1222[N], 10[C],
PRO242CD922[N], 7[C],
PRO242N1422[N], 12[C],
PRO242O2421[O], 5[N], 18[C],
PHE243CD22024[N], 16[C],
PHE243CA2224[N], 18[C],
PHE243N1824[N], 14[C],
PHE243CZ2521[S], 1[O], 4[N], 19[C],
PHE243CD12721[O], 4[N], 22[C],
PHE243CB1924[N], 15[C],
PHE243CE21924[N], 15[C],
PHE243O1724[N], 13[C],
PHE243CG2124[N], 17[C],
PHE243C2124[N], 17[C],
PHE243CE12921[S], 2[O], 4[N], 22[C],
TYR244O3021[S], 2[O], 6[N], 21[C],
TYR244C2621[S], 2[O], 4[N], 19[C],
TYR244CE2822[N], 6[C],
TYR244CG2024[N], 16[C],
TYR244N2424[N], 20[C],
TYR244CB2424[N], 20[C],
TYR244CE11824[N], 14[C],
TYR244CA2324[N], 19[C],
TYR244CD21424[N], 10[C],
TYR244CZ922[N], 7[C],
TYR244CD12421[O], 4[N], 19[C],
SER245CB1721[S], 2[O], 3[N], 11[C],
SER245O2221[S], 2[O], 5[N], 14[C],
SER245OG1221[S], 2[O], 7[C], 2[N],
SER245N2521[S], 2[O], 4[N], 18[C],
SER245C2221[S], 2[O], 5[N], 14[C],
SER245CA2121[S], 2[O], 4[N], 14[C],
GLU246CB1521[S], 2[O], 9[C], 3[N],
GLU246O2721[S], 3[O], 5[N], 18[C],
GLU246C2821[S], 3[O], 5[N], 19[C],
GLU246N2421[S], 3[O], 5[N], 15[C],
GLU246OE1521[S], 2[O], 2[C],
GLU246CA2421[S], 3[O], 5[N], 15[C],
GLU246CG1321[S], 2[O], 2[N], 8[C],
GLU246CD621[S], 2[O], 3[C],
GLU246OE2121[O],
ASP248C1621[S], 3[O], 1[N], 11[C],
ASP248CB4322[S], 3[O], 8[N], 30[C],
ASP248N3221[S], 3[O], 6[N], 22[C],
ASP248O1321[S], 2[O], 1[N], 9[C],
ASP248OD12122[S], 3[O], 2[N], 14[C],
ASP248CG3322[S], 3[O], 6[N], 22[C],
ASP248CA3022[S], 3[O], 5[N], 20[C],
ASP248OD23822[S], 3[O], 6[N], 27[C],
LEU249O121[O],
LEU249N921[S], 1[O], 1[N], 6[C],
LEU249C121[O],
LEU249CA121[O],
LYS250CA321[S], 1[O], 1[N],
LYS250C321[S], 1[O], 1[N],
LYS250CB521[S], 1[O], 1[N], 2[C],
LYS250O221[O], 1[N],
LYS250N621[S], 1[O], 1[N], 3[C],
LYS250CG221[O], 1[N],
LYS251CE1321[S], 2[O], 1[N], 9[C],
LYS251C421[S], 2[O], 1[N],
LYS251CB1021[S], 2[O], 1[N], 6[C],
LYS251CD1221[S], 2[O], 1[N], 8[C],
LYS251CG1021[S], 2[O], 1[N], 6[C],
LYS251N721[S], 2[O], 1[N], 3[C],
LYS251O421[S], 2[O], 1[N],
LYS251NZ1221[S], 2[O], 1[N], 8[C],
LYS251CA621[S], 2[O], 1[N], 2[C],
PHE252N421[S], 2[O], 1[N],
PHE252CB121[O],
PHE252CA121[O],
GLU254OE1121[N],
ARG255CD222[O],
ARG255CG121[O],
ASP290OD2221[C], 1[N],
LYS292CE524[C], 1[N],
LYS292CG121[C],
LYS292O222[C],
LYS292NZ221[C], 1[N],
LYS292CD121[C],
PRO293C424[C],
PRO293O721[O], 5[C], 1[N],
GLU294N524[C], 1[N],
GLU294OE2222[C],
GLU294CD626[C],
GLU294OE1424[C],
GLU294O4223[S], 2[O], 8[N], 29[C],
GLU294CB1921[S], 13[C], 5[N],
GLU294CA2321[S], 2[O], 5[N], 15[C],
GLU294CG1021[S], 1[N], 8[C],
GLU294C2922[S], 2[O], 6[N], 19[C],
ASN295ND21021[S], 3[N], 6[C],
ASN295CB2422[S], 1[O], 5[N], 16[C],
ASN295CA2722[S], 1[O], 5[N], 19[C],
ASN295CG1822[S], 1[O], 4[N], 11[C],
ASN295O2121[S], 1[O], 5[N], 14[C],
ASN295N2622[S], 1[O], 5[N], 18[C],
ASN295C2322[S], 1[O], 5[N], 15[C],
ASN295OD11722[S], 1[O], 3[N], 11[C],
LEU297O1722[O], 3[N], 12[C],
LEU297N1821[O], 5[N], 12[C],
LEU297CA721[O], 1[N], 5[C],
LEU297C1421[O], 2[N], 11[C],
LEU298C1621[O], 4[N], 11[C],
LEU298N2821[O], 5[N], 22[C],
LEU298CD14521[S], 1[O], 8[N], 35[C],
LEU298CD25023[S], 3[O], 9[N], 35[C],
LEU298CG4823[S], 2[O], 8[N], 35[C],
LEU298O121[N],
LEU298CB3722[O], 7[N], 28[C],
LEU298CA3122[O], 5[N], 24[C],
LEU299C322[C], 1[N],
LEU299O1721[O], 3[N], 13[C],
LEU299CA121[C],
LEU299N1621[O], 3[N], 12[C],
ASN300CA121[C],
LEU306O121[O],
LEU306CD1222[C],
LEU306CB121[C],
LEU307O424[C],
LEU307C521[N], 4[C],
MET308CB3721[S], 1[O], 8[N], 27[C],
MET308CE4622[S], 1[O], 8[N], 35[C],
MET308O1921[S], 1[O], 4[N], 13[C],
MET308CG3922[S], 1[O], 8[N], 28[C],
MET308C2321[S], 1[O], 4[N], 17[C],
MET308N1821[S], 1[O], 4[N], 12[C],
MET308SD4522[S], 1[O], 8[N], 34[C],
MET308CA2721[S], 1[O], 6[N], 19[C],
ASP309N2422[S], 1[O], 4[N], 17[C],
ASP309C1021[S], 3[N], 6[C],
ASP309OD22522[S], 1[O], 4[N], 18[C],
ASP309CB2122[S], 1[O], 4[N], 14[C],
ASP309OD12522[S], 1[O], 5[N], 17[C],
ASP309CA2022[S], 1[O], 4[N], 13[C],
ASP309CG2522[S], 1[O], 4[N], 18[C],
ASP309O821[S], 3[N], 4[C],
LEU310N821[S], 3[N], 4[C],
LEU310CA221[S], 1[N],
ASP311OD2621[S], 3[C], 2[N],
ASP311CB321[S], 1[N], 1[C],
ASP311OD1321[S], 1[N], 1[C],
ASP311CG421[S], 1[N], 2[C],
ASP311N321[S], 1[N], 1[C],
LEU312CD1321[N], 2[C],
LEU312CG121[N],
Total = 271



Download csv file of statistical distribution of contacts