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: FAD_A_4(1KNR) / Model_3(1KNR/A) = [12.5] Download375.8311.14MPNQQTIHHFDVIIVGSGGAGLSLALSLPGHFNIAVLAKAALTEASTFYAQGGVAAVLDETDSIQQHINDTMIAGAHLCEMDAVQHTVEGGRPSVDFLLKQGVQFTLDEDEQLHLTREGGHSQRRIIHSADATGKAISTTLVERAKERKNITIFENYIAIDLITSHKLGHTEQTNRAIGLYALDESTEKVHTFLAPFTALACGGAMKAYLYTSNPDIATGDGIAMAYRAGCRVANMEFNQFHPTCLYHPQARSFLITEAMRGEGAYLRLPDGERFMLRFDDRAELAPRDIVARTIDHEIKRLGIRHVWLDITHKSPEFIKEHFPTLYARLLELGIDITKDMIPVVPAAHYTCGGVVVDSNSQTDIEGLYAIGETSYTGLHGANRMASNSLLECFVYGMSAAKDIESKFDKNFKLPEVPTWDDSQVTNPDEDVVILQNWDELRSTMWNYVGIVRTTKRLERALHRIEMLKREITEYYQDYRVSKNLIELRNLVLVSEMIVRCAMHRKESRGLHYTLDYPETSSEIRKTVLTPPNFAVEQPLVNTSV
Complex: TEO_A_11(1YQ3) / Model_76(1YQ3/A) = [4.9] Download233.3310.29MPNQQTIHHFDVIIVGSGGAGLSLALSLPGHFNIAVLAKAALTEASTFYAQGGVAAVLDETDSIQQHINDTMIAGAHLCEMDAVQHTVEGGRPSVDFLLKQGVQFTLDEDEQLHLTREGGHSQRRIIHSADATGKAISTTLVERAKERKNITIFENYIAIDLITSHKLGHTEQTNRAIGLYALDESTEKVHTFLAPFTALACGGAMKAYLYTSNPDIATGDGIAMAYRAGCRVANMEFNQFHPTCLYHPQARSFLITEAMRGEGAYLRLPDGERFMLRFDDRAELAPRDIVARTIDHEIKRLGIRHVWLDITHKSPEFIKEHFPTLYARLLELGIDITKDMIPVVPAAHYTCGGVVVDSNSQTDIEGLYAIGETSYTGLHGANRMASNSLLECFVYGMSAAKDIESKFDKNFKLPEVPTWDDSQVTNPDEDVVILQNWDELRSTMWNYVGIVRTTKRLERALHRIEMLKREITEYYQDYRVSKNLIELRNLVLVSEMIVRCAMHRKESRGLHYTLDYPETSSEIRKTVLTPPNFAVEQPLVNTSV
Complex: ASP_A_11(5KXJ) / Model_80(5KXJ/A) = [3.3] Download13454.9624.12MPNQQTIHHFDVIIVGSGGAGLSLALSLPGHFNIAVLAKAALTEASTFYAQGGVAAVLDETDSIQQHINDTMIAGAHLCEMDAVQHTVEGGRPSVDFLLKQGVQFTLDEDEQLHLTREGGHSQRRIIHSADATGKAISTTLVERAKERKNITIFENYIAIDLITSHKLGHTEQTNRAIGLYALDESTEKVHTFLAPFTALACGGAMKAYLYTSNPDIATGDGIAMAYRAGCRVANMEFNQFHPTCLYHPQARSFLITEAMRGEGAYLRLPDGERFMLRFDDRAELAPRDIVARTIDHEIKRLGIRHVWLDITHKSPEFIKEHFPTLYARLLELGIDITKDMIPVVPAAHYTCGGVVVDSNSQTDIEGLYAIGETSYTGLHGANRMASNSLLECFVYGMSAAKDIESKFDKNFKLPEVPTWDDSQVTNPDEDVVILQNWDELRSTMWNYVGIVRTTKRLERALHRIEMLKREITEYYQDYRVSKNLIELRNLVLVSEMIVRCAMHRKESRGLHYTLDYPETSSEIRKTVLTPPNFAVEQPLVNTSV
Consensus
[pKd Mean = 6.90]		-4688
(s=6199)		15
(s=6)		MPNQQTIHHFDVIIVGSGGAGLSLALSLPGHFNIAVLAKAALTEASTFYAQGGVAAVLDETDSIQQHINDTMIAGAHLCEMDAVQHTVEGGRPSVDFLLKQGVQFTLDEDEQLHLTREGGHSQRRIIHSADATGKAISTTLVERAKERKNITIFENYIAIDLITSHKLGHTEQTNRAIGLYALDESTEKVHTFLAPFTALACGGAMKAYLYTSNPDIATGDGIAMAYRAGCRVANMEFNQFHPTCLYHPQARSFLITEAMRGEGAYLRLPDGERFMLRFDDRAELAPRDIVARTIDHEIKRLGIRHVWLDITHKSPEFIKEHFPTLYARLLELGIDITKDMIPVVPAAHYTCGGVVVDSNSQTDIEGLYAIGETSYTGLHGANRMASNSLLECFVYGMSAAKDIESKFDKNFKLPEVPTWDDSQVTNPDEDVVILQNWDELRSTMWNYVGIVRTTKRLERALHRIEMLKREITEYYQDYRVSKNLIELRNLVLVSEMIVRCAMHRKESRGLHYTLDYPETSSEIRKTVLTPPNFAVEQPLVNTSV



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]
ILE14CG2131[O],
VAL15CG11833[O], 5[N], 10[C],
VAL15CG21236[C], 1[O], 5[N],
SER17OG1336[C], 5[O], 2[N],
LEU22CD2131[O],
LEU22CD1131[O],
SER23OG331[O], 1[N], 1[C],
VAL36CG1331[C], 1[O], 1[N],
LEU37CG835[C], 3[N],
LEU37CD2332[N], 1[C],
LEU37CD1834[N], 4[C],
LYS39NZ1639[C], 2[O], 5[N],
LYS39CD1638[C], 3[O], 5[N],
LYS39CG1739[C], 3[O], 5[N],
LYS39CE18310[C], 5[N], 3[O],
LEU42CG131[O],
LEU42CD1331[C], 2[O],
GLU44CG432[C], 2[O],
SER46OG3032[P], 1[N], 10[O], 17[C],
THR47OG126311[O], 2[N], 2[P], 11[C],
THR47CG22238[C], 2[P], 2[N], 10[O],
TYR49CZ131[C],
TYR49CD1836[C], 2[O],
TYR49CE1434[C],
TYR49CE2131[C],
TYR49CD2535[C],
TYR49CG838[C],
GLN51NE21433[O], 1[N], 10[C],
GLN51OE11631[N], 4[O], 11[C],
GLN51CD1834[O], 1[N], 13[C],
GLN51CG2133[N], 4[O], 14[C],
VAL54CG2834[C], 2[O], 2[N],
VAL54CG1632[C], 2[N], 2[O],
GLU118CG632[C], 4[O],
GLU118OE11736[O], 3[N], 8[C],
GLU118OE21437[C], 4[O], 3[N],
GLU118CD1337[C], 2[N], 4[O],
HIS121NE2131[O],
ILE126CG21034[O], 1[N], 5[C],
ILE126CD1432[O], 1[N], 1[C],
ILE126CG1231[N], 1[O],
THR133OG1732[O], 2[N], 3[C],
THR133CG2633[C], 2[N], 1[O],
LYS135CE433[C], 1[O],
LYS135NZ231[C], 1[O],
LYS135CD131[O],
ILE137CD1932[N], 4[O], 3[C],
SER138OG332[O], 1[P],
TYR157CG131[C],
ILE158CG21035[N], 5[C],
ILE158CD1834[C], 4[N],
ILE158CG11135[N], 1[O], 5[C],
ILE160CG1232[N],
LEU180CD1231[C], 1[N],
LEU180CD2331[N], 2[C],
LEU180CG231[C], 1[N],
LEU200CD2734[C], 3[N],
CYS202SG20310[C], 5[N], 5[O],
MET206CG232[C],
THR212OG1232[C],
SER213OG14310[C], 2[N], 2[O],
ASN214OD115311[C], 1[P], 3[O],
ASN214ND21531[N], 3[O], 11[C],
ASN214CG1233[O], 9[C],
PRO215CG935[C], 3[O], 1[P],
PRO215CD935[C], 1[P], 3[O],
ILE217CG121310[C], 3[N], 7[O], 1[P],
ILE217CD125312[C], 9[O], 3[N], 1[P],
ILE217CG22635[N], 1[P], 8[O], 12[C],
THR219OG1834[C], 4[N],
THR219CG2231[C], 1[N],
ASP221OD1935[C], 4[N],
ASP221CG1237[C], 5[N],
ASP221OD21432[O], 5[N], 7[C],
MET225CG432[N], 2[C],
MET225CE1035[C], 5[N],
MET225SD834[N], 4[C],
GLN240CG332[O], 1[C],
GLN240NE2332[O], 1[C],
GLN240OE11031[N], 4[O], 5[C],
GLN240CD633[C], 3[O],
HIS242CD222315[C], 5[O], 2[N],
HIS242CG1635[O], 11[C],
HIS242ND1935[C], 4[O],
HIS242CE11438[C], 1[N], 5[O],
HIS242NE22336[O], 2[N], 15[C],
PRO243CG131[O],
PRO243CD332[O], 1[C],
THR244CG2131[O],
THR244OG1532[C], 3[O],
CYS245SG131[C],
PHE254CG131[C],
PHE254CD2131[C],
PHE254CE2131[C],
PHE254CE1131[C],
PHE254CD1131[C],
PHE254CZ131[C],
LEU255CD120313[C], 2[N], 5[O],
LEU255CD224316[C], 6[O], 2[N],
LEU255CG1934[O], 2[N], 13[C],
ILE256CG2131[O],
THR257OG11936[O], 2[N], 11[C],
THR257CG2733[C], 4[O],
GLU258OE1935[O], 4[C],
GLU258OE2934[C], 5[O],
GLU258CD935[O], 4[C],
GLU258CG935[O], 4[C],
MET260CG131[O],
ARG261NE131[O],
ARG261CZ231[O], 1[C],
ARG288NE935[O], 4[C],
ARG288CD834[C], 4[O],
ARG288CG834[C], 4[O],
ARG288CZ2034[N], 5[O], 11[C],
LEU326CG232[O],
LEU326CD2331[C], 2[O],
LEU326CD1331[C], 2[O],
HIS349NE232319[C], 9[O], 4[N],
HIS349ND12733[N], 7[O], 17[C],
HIS349CE131319[C], 4[N], 8[O],
HIS349CD229319[C], 3[N], 7[O],
HIS349CG2636[O], 3[N], 17[C],
TYR350CD21134[O], 2[N], 5[C],
TYR350CE131312[O], 1[P], 3[N], 15[C],
TYR350CD133318[C], 12[O], 3[N],
TYR350CE21234[O], 2[N], 6[C],
TYR350CZ25311[C], 3[N], 11[O],
TYR350CG21313[C], 6[O], 2[N],
THR351OG1131[O],
ILE371CD1631[C], 4[O], 1[N],
ILE371CG1731[P], 1[N], 4[O], 1[C],
GLU373OE224312[C], 1[N], 9[O], 2[P],
GLU373OE13533[N], 2[P], 15[O], 15[C],
GLU373CD3032[N], 13[O], 2[P], 13[C],
GLU373CG24312[O], 1[N], 2[P], 9[C],
THR374OG12138[C], 9[O], 2[N], 2[P],
THR374CG2232[O],
SER375OG131[O],
HIS380CE1333[O],
HIS380NE2232[O],
ARG384NE25314[C], 4[N], 7[O],
ARG384CZ31318[C], 9[O], 4[N],
ARG384CG934[O], 1[N], 4[C],
ARG384CD19310[C], 6[O], 3[N],
SER387OG1938[C], 4[N], 7[O],
ASN388CG232[O],
ASN388OD1232[O],
SER389OG36320[C], 11[O], 5[N],
LEU390CG3631[P], 12[O], 5[N], 18[C],
LEU390CD235316[C], 4[N], 2[P], 13[O],
LEU390CD135319[C], 5[N], 11[O],
LEU391CD2131[O],
LEU391CG131[O],
GLU392CG331[C], 1[N], 1[O],
GLU392CD431[N], 2[O], 1[C],
GLU392OE11231[N], 5[O], 6[C],
CYS393SG2932[N], 2[P], 15[O], 10[C],
PHE394CE1432[C], 1[O], 1[N],
PHE394CD2131[O],
PHE394CE2131[O],
PHE394CG231[N], 1[O],
PHE394CZ432[C], 1[N], 1[O],
PHE394CD1431[O], 1[N], 2[C],
ILE486CG1131[N],
ILE486CD1131[N],
ILE486CG2332[N], 1[C],
ASN490CG231[C], 1[N],
ASN490ND2532[C], 3[N],
ASN490OD1131[N],
Total = 169



Download csv file of statistical distribution of contacts