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 :C4_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 C4_S1
Complex: PEP_B_7(1OFA) / Model_103(1OFA/B) = [5.5] Download278.56-0.07MIEPVTAMTTLSNSVSKPDIDDVNIKSIQTLVTPAELKSELPLSDVASQTVLKGRETIRNILDGSDKCLFVVIGPCSIHDPKAAHEYADRLKALSEKVKDTLYLVMRVYFEKPRTTIGWKGLINDPDMNDSFNIEKGLRIGRKLLLDLNEKGLPCATEALDPNSPQYYQDLISWSAIGARTTESQTHREMSSGLSSPVGFKNGTDGGLTVATNAMQSVKYGHSFLGLNEDGQVSIINTKGNPYAHVVLRGGNGKPNYDAGSVAEAENALAKAKVSSKIMIDASHANSNKDPYLQPLVLKNITEQILDGNKSIVGIMVESHLKGGRQDIPDNLCDLEYGKSVTDGCIDWETTEKTLLEMHKALKEVLPNR
Complex: PGA_A_3(1OFO) / Model_101(1OFO/A) = [4.1] Download267.765.93MIEPVTAMTTLSNSVSKPDIDDVNIKSIQTLVTPAELKSELPLSDVASQTVLKGRETIRNILDGSDKCLFVVIGPCSIHDPKAAHEYADRLKALSEKVKDTLYLVMRVYFEKPRTTIGWKGLINDPDMNDSFNIEKGLRIGRKLLLDLNEKGLPCATEALDPNSPQYYQDLISWSAIGARTTESQTHREMSSGLSSPVGFKNGTDGGLTVATNAMQSVKYGHSFLGLNEDGQVSIINTKGNPYAHVVLRGGNGKPNYDAGSVAEAENALAKAKVSSKIMIDASHANSNKDPYLQPLVLKNITEQILDGNKSIVGIMVESHLKGGRQDIPDNLCDLEYGKSVTDGCIDWETTEKTLLEMHKALKEVLPNR
Complex: GOL_B_9(1OFA) / Model_103(1OFA/B) = [3.4] Download373.97-8.23MIEPVTAMTTLSNSVSKPDIDDVNIKSIQTLVTPAELKSELPLSDVASQTVLKGRETIRNILDGSDKCLFVVIGPCSIHDPKAAHEYADRLKALSEKVKDTLYLVMRVYFEKPRTTIGWKGLINDPDMNDSFNIEKGLRIGRKLLLDLNEKGLPCATEALDPNSPQYYQDLISWSAIGARTTESQTHREMSSGLSSPVGFKNGTDGGLTVATNAMQSVKYGHSFLGLNEDGQVSIINTKGNPYAHVVLRGGNGKPNYDAGSVAEAENALAKAKVSSKIMIDASHANSNKDPYLQPLVLKNITEQILDGNKSIVGIMVESHLKGGRQDIPDNLCDLEYGKSVTDGCIDWETTEKTLLEMHKALKEVLPNR
Consensus
[pKd Mean = 4.33]		-306
(s=47)		0
(s=5)		MIEPVTAMTTLSNSVSKPDIDDVNIKSIQTLVTPAELKSELPLSDVASQTVLKGRETIRNILDGSDKCLFVVIGPCSIHDPKAAHEYADRLKALSEKVKDTLYLVMRVYFEKPRTTIGWKGLINDPDMNDSFNIEKGLRIGRKLLLDLNEKGLPCATEALDPNSPQYYQDLISWSAIGARTTESQTHREMSSGLSSPVGFKNGTDGGLTVATNAMQSVKYGHSFLGLNEDGQVSIINTKGNPYAHVVLRGGNGKPNYDAGSVAEAENALAKAKVSSKIMIDASHANSNKDPYLQPLVLKNITEQILDGNKSIVGIMVESHLKGGRQDIPDNLCDLEYGKSVTDGCIDWETTEKTLLEMHKALKEVLPNR



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]
VAL72CG1232[O],
GLY74O131[O],
PRO75O632[C], 4[O],
PRO75C432[O], 2[C],
CYS76O1638[O], 8[C],
CYS76CB1537[O], 8[C],
CYS76SG1738[C], 9[O],
CYS76CA1437[O], 7[C],
CYS76N634[O], 2[C],
CYS76C1437[O], 7[C],
SER77N733[C], 4[O],
SER77CB534[O], 1[C],
SER77CA433[O], 1[C],
SER77OG331[C], 2[O],
ARG107CZ1236[O], 5[C], 1[P],
ARG107CD733[C], 4[O],
ARG107CB434[O],
ARG107CG634[O], 2[C],
ARG107NE1136[O], 5[C],
TYR109CG935[C], 4[O],
TYR109CB935[C], 4[O],
TYR109CA232[O],
TYR109CE217310[O], 2[P], 5[C],
TYR109CZ1335[C], 8[O],
TYR109C232[O],
TYR109CD21639[O], 2[P], 5[C],
TYR109CD1834[O], 4[C],
TYR109CE1934[O], 5[C],
TYR109N232[O],
GLU111CA131[O],
GLU111C533[O], 2[C],
GLU111O1034[O], 6[C],
LYS112NZ23313[O], 8[C], 2[P],
LYS112CB1136[C], 5[O],
LYS112CD1538[C], 7[O],
LYS112N733[O], 4[C],
LYS112C1035[O], 5[C],
LYS112CA1338[C], 5[O],
LYS112CE20311[O], 8[C], 1[P],
LYS112CG1035[O], 5[C],
LYS112O634[C], 2[O],
PRO113CB1738[O], 7[C], 2[P],
PRO113O1839[O], 2[P], 7[C],
PRO113C1135[C], 6[O],
PRO113CA1035[C], 5[O],
PRO113CG24314[O], 2[P], 8[C],
PRO113CD24314[O], 2[P], 8[C],
PRO113N18310[O], 1[P], 7[C],
ARG114NE633[O], 3[C],
ARG114O331[O], 2[C],
ARG114C633[C], 3[O],
ARG114N734[C], 3[O],
ARG114CB532[O], 3[C],
ARG114CG532[O], 3[C],
ARG114CA633[O], 3[C],
ARG114CD633[C], 3[O],
ARG114CZ633[O], 3[C],
THR115CB331[O], 2[C],
THR115C131[C],
THR115CA332[C], 1[O],
THR115OG1633[O], 3[C],
THR115N633[O], 3[C],
TRP119O532[O], 3[C],
TRP119CE3131[C],
TRP119C231[O], 1[C],
LYS120O131[O],
LYS120CA131[O],
LYS120C131[O],
THR157C333[O],
GLU158CD2132[P], 6[C], 13[O],
GLU158OE12332[P], 7[C], 14[O],
GLU158OE22032[P], 5[C], 13[O],
GLU158CA1035[O], 5[C],
GLU158CG1532[P], 5[C], 8[O],
GLU158N733[C], 4[O],
GLU158CB1538[O], 5[C], 2[P],
LEU160CD2131[O],
TRP174CZ3632[C], 4[O],
TRP174CZ2232[O],
ALA176CB17310[O], 5[C], 2[P],
ALA176C434[O],
ALA176O232[O],
ALA176CA431[C], 3[O],
ILE177CA232[O],
ILE177N232[O],
ILE177O17310[O], 2[P], 5[C],
ILE177CB232[O],
ILE177CG2232[O],
ILE177C1732[P], 5[C], 10[O],
GLY178N19312[O], 5[C], 2[P],
GLY178O1338[O], 2[P], 3[C],
GLY178CA19312[O], 5[C], 2[P],
GLY178C1735[C], 2[P], 10[O],
ALA179C1232[P], 2[C], 8[O],
ALA179CA1332[P], 3[C], 8[O],
ALA179O836[O], 2[P],
ALA179CB1639[O], 2[P], 5[C],
ALA179N19312[O], 2[P], 5[C],
ARG180CB932[P], 1[C], 6[O],
ARG180O131[O],
ARG180N1338[O], 3[C], 2[P],
ARG180CD1735[C], 2[P], 10[O],
ARG180C331[P], 2[O],
ARG180CG1237[O], 3[C], 2[P],
ARG180CZ2132[P], 8[C], 11[O],
ARG180CA836[O], 2[P],
ARG180NE18310[O], 2[P], 6[C],
THR181CB232[O],
THR181OG1332[O], 1[P],
THR181N432[O], 2[P],
THR181CA232[O],
THR182N232[O],
THR182CB232[O],
THR182OG1434[O],
PHE200C434[O],
LYS201CG19312[O], 5[C], 2[P],
LYS201CE19312[O], 5[C], 2[P],
LYS201CB1732[P], 5[C], 10[O],
LYS201N836[O], 2[P],
LYS201CD19312[O], 5[C], 2[P],
LYS201NZ2035[C], 2[P], 13[O],
LYS201O632[P], 4[O],
LYS201CA1038[O], 2[P],
LYS201C832[P], 6[O],
ASN202CB232[O],
ASN202O1038[O], 2[P],
ASN202N634[O], 2[P],
ASN202C634[O], 2[P],
ASN202OD1232[O],
ASN202CA232[O],
ASN202ND2232[O],
ASN202CG232[O],
GLY203O333[O],
GLY203CA232[O],
GLY203N232[O],
GLY203C635[O], 1[P],
THR204OG1131[O],
THR204CB832[P], 6[O],
THR204CG2937[O], 2[P],
THR204CA732[P], 5[O],
THR204N832[P], 6[O],
VAL247CG1832[P], 6[O],
VAL247C232[O],
VAL247CB232[O],
VAL247O232[O],
LEU248C232[O],
LEU248O232[O],
ARG249NE1732[P], 5[C], 10[O],
ARG249CG17310[O], 2[P], 5[C],
ARG249C832[P], 6[O],
ARG249CZ18311[O], 5[C], 2[P],
ARG249N432[O], 2[P],
ARG249O1032[P], 8[O],
ARG249CA836[O], 2[P],
ARG249CB16310[O], 2[P], 4[C],
ARG249CD15310[O], 2[P], 3[C],
GLY250N232[O],
GLY250C232[O],
GLY250O534[O], 1[P],
GLY250CA131[O],
ASP281CG18312[O], 4[C], 2[P],
ASP281CB1236[O], 2[P], 4[C],
ASP281OD21732[P], 4[C], 11[O],
ASP281CA434[O],
ASP281OD11835[C], 2[P], 11[O],
SER283O1232[C], 2[P], 8[O],
SER283CA531[C], 4[O],
SER283N232[O],
SER283CB1034[C], 6[O],
SER283OG1137[O], 4[C],
SER283C1438[O], 2[P], 4[C],
HIS284NE225315[O], 8[C], 2[P],
HIS284ND121313[O], 2[P], 6[C],
HIS284CE12438[C], 2[P], 14[O],
HIS284CA21313[O], 2[P], 6[C],
HIS284C1132[P], 2[C], 7[O],
HIS284CB2136[C], 2[P], 13[O],
HIS284N18311[O], 2[P], 5[C],
HIS284CD22538[C], 2[P], 15[O],
HIS284O434[O],
HIS284CG24314[O], 8[C], 2[P],
ALA285CB632[P], 4[O],
ALA285CA632[P], 4[O],
ALA285N1036[O], 2[C], 2[P],
ASN286N131[O],
MET316CE1238[O], 4[C],
MET316CG1036[O], 4[C],
MET316O131[O],
MET316SD17310[O], 5[C], 2[P],
MET316CB432[O], 2[C],
MET316CA232[O],
MET316C232[O],
VAL317C232[O],
VAL317O232[O],
VAL317N232[O],
GLU318OE22132[P], 8[C], 11[O],
GLU318CD1737[C], 1[P], 9[O],
GLU318N232[O],
GLU318OE11737[C], 10[O],
GLU318CG1237[O], 5[C],
GLU318CA431[C], 3[O],
GLU318CB632[C], 4[O],
ARG325CD131[O],
ARG325NE131[O],
ARG325CG131[O],
ARG325CB131[O],
ARG325CZ131[O],
SER340OG231[C], 1[O],
VAL341CA131[O],
VAL341C231[C], 1[O],
VAL341O231[C], 1[O],
THR342CA633[O], 3[C],
THR342N432[O], 2[C],
THR342OG1835[O], 3[C],
THR342O432[C], 2[O],
THR342CG2633[O], 3[C],
THR342CB734[O], 3[C],
THR342C633[O], 3[C],
ASP343OD12031[P], 8[C], 11[O],
ASP343N633[C], 3[O],
ASP343CG19311[O], 8[C],
ASP343CA633[O], 3[C],
ASP343O432[O], 2[C],
ASP343C432[C], 2[O],
ASP343OD22038[C], 1[P], 11[O],
ASP343CB1436[O], 8[C],
GLY344N331[C], 2[O],
GLY344CA131[O],
Total = 228



Download csv file of statistical distribution of contacts