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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: 5RH_A_2(5EQI) / Model_52(U052/A) = [5.3] Download1208.3041.50MGHSPPVLPLCASVSLLGGLTFGYELAVISGALLPLQLDFGLSCLEQEFLVGSLLLGALLASLVGGFLIDCYGRKQAILGSNLVLLAGSLTLGLAGSLAWLVLGRAVVGFAISLSSMACCIYVSELVGPRQRGVLVSLYEAGITVGILLSYALNYALAGTPWGWRHMFGWATAPAVLQSLSLLFLPAGTDETATHKDLIPLQGGEAPKLGPGRPRYSFLDLFRARDNMRGRTTVGLGLVLFQQLTGQPNVLCYASTIFSSVGFHGGSSAVLASVGLGAVKVAATLTAMGLVDRAGRRALLLAGCALMALSVSGIGLVSFAVPMDSGPSCLAVPNATGQTGLPGDSGLLQDSSLPPIPRTNEDQREPILSTAKKTKPHPRSGDPSAPPRLALSSALPGPPLPARGHALLRWTALLCLMVFVSAFSFGFGPVTWLVLSEIYPVEIRGRAFAFCNSFNWAANLFISLSFLDLIGTIGLSWTFLLYGLTAVLGLGFIYLFVPETKGQSLAEIDQQFQKRRFTLSFGHRQNSTGIPYSRIEISAAS
Complex: 5RF_A_2(5EQH) / Model_52(U052/A) = [4.4] Download1533.1536.06MGHSPPVLPLCASVSLLGGLTFGYELAVISGALLPLQLDFGLSCLEQEFLVGSLLLGALLASLVGGFLIDCYGRKQAILGSNLVLLAGSLTLGLAGSLAWLVLGRAVVGFAISLSSMACCIYVSELVGPRQRGVLVSLYEAGITVGILLSYALNYALAGTPWGWRHMFGWATAPAVLQSLSLLFLPAGTDETATHKDLIPLQGGEAPKLGPGRPRYSFLDLFRARDNMRGRTTVGLGLVLFQQLTGQPNVLCYASTIFSSVGFHGGSSAVLASVGLGAVKVAATLTAMGLVDRAGRRALLLAGCALMALSVSGIGLVSFAVPMDSGPSCLAVPNATGQTGLPGDSGLLQDSSLPPIPRTNEDQREPILSTAKKTKPHPRSGDPSAPPRLALSSALPGPPLPARGHALLRWTALLCLMVFVSAFSFGFGPVTWLVLSEIYPVEIRGRAFAFCNSFNWAANLFISLSFLDLIGTIGLSWTFLLYGLTAVLGLGFIYLFVPETKGQSLAEIDQQFQKRRFTLSFGHRQNSTGIPYSRIEISAAS
Complex: 5RE_A_2(5EQG) / Model_52(U052/A) = [4.2] Download1279.3739.69MGHSPPVLPLCASVSLLGGLTFGYELAVISGALLPLQLDFGLSCLEQEFLVGSLLLGALLASLVGGFLIDCYGRKQAILGSNLVLLAGSLTLGLAGSLAWLVLGRAVVGFAISLSSMACCIYVSELVGPRQRGVLVSLYEAGITVGILLSYALNYALAGTPWGWRHMFGWATAPAVLQSLSLLFLPAGTDETATHKDLIPLQGGEAPKLGPGRPRYSFLDLFRARDNMRGRTTVGLGLVLFQQLTGQPNVLCYASTIFSSVGFHGGSSAVLASVGLGAVKVAATLTAMGLVDRAGRRALLLAGCALMALSVSGIGLVSFAVPMDSGPSCLAVPNATGQTGLPGDSGLLQDSSLPPIPRTNEDQREPILSTAKKTKPHPRSGDPSAPPRLALSSALPGPPLPARGHALLRWTALLCLMVFVSAFSFGFGPVTWLVLSEIYPVEIRGRAFAFCNSFNWAANLFISLSFLDLIGTIGLSWTFLLYGLTAVLGLGFIYLFVPETKGQSLAEIDQQFQKRRFTLSFGHRQNSTGIPYSRIEISAAS
Complex: 5RH_A_2(5EQI) / Model_13(5EQI/A) = [4.0] Download2177.5347.08MGHSPPVLPLCASVSLLGGLTFGYELAVISGALLPLQLDFGLSCLEQEFLVGSLLLGALLASLVGGFLIDCYGRKQAILGSNLVLLAGSLTLGLAGSLAWLVLGRAVVGFAISLSSMACCIYVSELVGPRQRGVLVSLYEAGITVGILLSYALNYALAGTPWGWRHMFGWATAPAVLQSLSLLFLPAGTDETATHKDLIPLQGGEAPKLGPGRPRYSFLDLFRARDNMRGRTTVGLGLVLFQQLTGQPNVLCYASTIFSSVGFHGGSSAVLASVGLGAVKVAATLTAMGLVDRAGRRALLLAGCALMALSVSGIGLVSFAVPMDSGPSCLAVPNATGQTGLPGDSGLLQDSSLPPIPRTNEDQREPILSTAKKTKPHPRSGDPSAPPRLALSSALPGPPLPARGHALLRWTALLCLMVFVSAFSFGFGPVTWLVLSEIYPVEIRGRAFAFCNSFNWAANLFISLSFLDLIGTIGLSWTFLLYGLTAVLGLGFIYLFVPETKGQSLAEIDQQFQKRRFTLSFGHRQNSTGIPYSRIEISAAS
Complex: 5RE_A_2(5EQG) / Model_24(5EQG/A) = [3.7] Download958.0334.00MGHSPPVLPLCASVSLLGGLTFGYELAVISGALLPLQLDFGLSCLEQEFLVGSLLLGALLASLVGGFLIDCYGRKQAILGSNLVLLAGSLTLGLAGSLAWLVLGRAVVGFAISLSSMACCIYVSELVGPRQRGVLVSLYEAGITVGILLSYALNYALAGTPWGWRHMFGWATAPAVLQSLSLLFLPAGTDETATHKDLIPLQGGEAPKLGPGRPRYSFLDLFRARDNMRGRTTVGLGLVLFQQLTGQPNVLCYASTIFSSVGFHGGSSAVLASVGLGAVKVAATLTAMGLVDRAGRRALLLAGCALMALSVSGIGLVSFAVPMDSGPSCLAVPNATGQTGLPGDSGLLQDSSLPPIPRTNEDQREPILSTAKKTKPHPRSGDPSAPPRLALSSALPGPPLPARGHALLRWTALLCLMVFVSAFSFGFGPVTWLVLSEIYPVEIRGRAFAFCNSFNWAANLFISLSFLDLIGTIGLSWTFLLYGLTAVLGLGFIYLFVPETKGQSLAEIDQQFQKRRFTLSFGHRQNSTGIPYSRIEISAAS
Consensus
[pKd Mean = 4.32]
-1431
(s=415)
39
(s=4)
MGHSPPVLPLCASVSLLGGLTFGYELAVISGALLPLQLDFGLSCLEQEFLVGSLLLGALLASLVGGFLIDCYGRKQAILGSNLVLLAGSLTLGLAGSLAWLVLGRAVVGFAISLSSMACCIYVSELVGPRQRGVLVSLYEAGITVGILLSYALNYALAGTPWGWRHMFGWATAPAVLQSLSLLFLPAGTDETATHKDLIPLQGGEAPKLGPGRPRYSFLDLFRARDNMRGRTTVGLGLVLFQQLTGQPNVLCYASTIFSSVGFHGGSSAVLASVGLGAVKVAATLTAMGLVDRAGRRALLLAGCALMALSVSGIGLVSFAVPMDSGPSCLAVPNATGQTGLPGDSGLLQDSSLPPIPRTNEDQREPILSTAKKTKPHPRSGDPSAPPRLALSSALPGPPLPARGHALLRWTALLCLMVFVSAFSFGFGPVTWLVLSEIYPVEIRGRAFAFCNSFNWAANLFISLSFLDLIGTIGLSWTFLLYGLTAVLGLGFIYLFVPETKGQSLAEIDQQFQKRRFTLSFGHRQNSTGIPYSRIEISAAS



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]
PHE22O341[O], 1[C], 1[B],
PHE22CE18241[F], 14[O], 5[N], 60[C],
PHE22CE273414[O], 4[N], 53[C],
PHE22C241[O], 1[C],
PHE22CA141[O],
PHE22CZ83414[O], 5[N], 62[C],
PHE22CG46412[O], 3[N], 30[C],
PHE22CD255413[O], 4[N], 38[C],
PHE22CB1145[O], 1[N], 5[C],
PHE22CD16741[F], 13[O], 4[N], 47[C],
GLY23O141[O],
GLY23C141[O],
GLY23N441[O], 2[C], 1[B],
GLY23CA841[O], 5[C], 2[B],
LEU26CD13941[F], 8[O], 1[N], 28[C],
LEU26CB1841[F], 3[O], 13[C],
LEU26CD24641[F], 8[O], 1[N], 34[C],
LEU26CA341[O], 1[C], 1[B],
LEU26CG3241[F], 6[O], 1[N], 23[C],
LEU26C141[O],
LEU55CB141[O],
LEU55CD21844[O], 13[C], 1[B],
LEU55O141[C],
LEU55CG141[O],
LEU55CD1141[O],
ALA58O2041[O], 19[C],
ALA58C13413[C],
ALA58CB2143[O], 2[N], 16[C],
ALA58CA10410[C],
ALA58N141[C],
LEU59C242[C],
LEU59CA747[C],
LEU59CD1242[C],
LEU59N10410[C],
LEU59CB242[C],
LEU59O545[C],
ALA61C545[C],
ALA61O242[C],
ALA61CB242[C],
SER62OG3744[O], 2[N], 31[C],
SER62C17417[C],
SER62CB2842[O], 24[C], 2[N],
SER62O16416[C],
SER62CA21421[C],
SER62N19419[C],
LEU63CA141[C],
LEU63N747[C],
ILE112CA141[C],
ILE112CG1141[C],
ILE112CD1141[C],
ILE112O2244[O], 17[C], 1[N],
ILE112CG2643[O], 3[C],
ILE112CB341[O], 2[C],
ILE112C1041[O], 9[C],
SER113N1141[O], 10[C],
SER113OG444[C],
SER113CA2442[O], 21[C], 1[N],
SER113O2542[O], 21[C], 2[N],
SER113CB1641[O], 15[C],
SER113C1942[O], 17[C],
LEU114C343[C],
LEU114O444[C],
LEU114CA242[C],
LEU114N444[C],
SER115O1042[O], 8[C],
SER115C1143[O], 8[C],
SER115N343[C],
SER116CB71412[O], 4[N], 55[C],
SER116C5547[O], 3[N], 45[C],
SER116O5948[O], 4[N], 47[C],
SER116CA5949[O], 4[N], 46[C],
SER116OG63410[O], 4[N], 49[C],
SER116N3644[O], 1[N], 31[C],
MET117CB1842[O], 16[C],
MET117CG3043[O], 27[C],
MET117SD3242[O], 1[N], 29[C],
MET117O642[O], 4[C],
MET117CE2442[O], 22[C],
MET117CA2743[O], 24[C],
MET117C1042[O], 8[C],
MET117N3645[O], 31[C],
ALA118N441[O], 3[C],
CYS119CB141[O],
CYS119C141[O],
CYS119N141[O],
CYS120O642[O], 4[C],
CYS120C1043[O], 7[C],
CYS120CA1743[O], 14[C],
CYS120SG3846[O], 2[N], 30[C],
CYS120CB2644[O], 22[C],
CYS120N1743[O], 14[C],
ILE121CG1242[O],
ILE121N442[O], 2[C],
ILE121CD1541[O], 4[C],
VAL136CG21042[O], 8[C],
VAL136C444[C],
VAL136CG1242[C],
VAL136O949[C],
VAL136CB343[C],
SER137C343[C],
SER137O545[C],
SER137CA242[C],
TYR139CD13347[O], 2[N], 24[C],
TYR139CE283412[O], 5[N], 66[C],
TYR139CD262410[O], 4[N], 48[C],
TYR139CB2945[O], 1[N], 23[C],
TYR139O2345[O], 1[N], 17[C],
TYR139CG3748[O], 2[N], 27[C],
TYR139CA1743[O], 14[C],
TYR139CZ74410[O], 4[N], 60[C],
TYR139C2545[O], 1[N], 19[C],
TYR139N541[O], 4[C],
TYR139CE14348[O], 3[N], 32[C],
GLU140CA4246[O], 2[N], 33[C],
GLU140C2444[O], 19[C],
GLU140OE13247[O], 24[C],
GLU140N3446[O], 2[N], 26[C],
GLU140O3341[F], 5[O], 26[C],
GLU140CD4046[O], 2[N], 31[C],
GLU140OE24147[O], 2[N], 31[C],
GLU140CB3846[O], 2[N], 29[C],
GLU140CG4747[O], 2[N], 37[C],
ALA141C141[C],
ALA141CA242[C],
ALA141N742[O], 4[C],
ILE143CG26541[F], 12[O], 3[N], 47[C],
ILE143CA3341[F], 7[O], 1[N], 22[C],
ILE143CG17041[F], 11[O], 3[N], 53[C],
ILE143O1541[F], 3[O], 9[C],
ILE143CB6241[F], 10[O], 2[N], 47[C],
ILE143C2441[F], 4[O], 17[C],
ILE143CD18941[F], 14[O], 5[N], 67[C],
ILE143N1042[O], 7[C],
THR144OG12141[F], 2[O], 16[C],
THR144CG21641[F], 1[O], 13[C],
THR144C141[B],
THR144O141[B],
THR144CA1641[F], 2[O], 12[C],
THR144N2241[F], 2[O], 17[C],
THR144CB1441[F], 2[O], 10[C],
VAL145N141[B],
ILE147CG11741[F], 1[O], 13[C],
ILE147CB441[F], 2[C],
ILE147CD12841[F], 3[O], 22[C],
ILE147CG2341[F], 1[C],
VAL239CB341[O], 2[C],
VAL239CG2742[O], 4[C], 1[N],
VAL239CG11744[O], 2[N], 11[C],
VAL239O342[O], 1[C],
VAL239CA141[O],
GLN242CG4448[O], 3[N], 32[C],
GLN242CA1343[O], 1[N], 9[C],
GLN242O2345[O], 1[N], 16[C],
GLN242CD61411[O], 3[N], 45[C],
GLN242NE262411[O], 3[N], 46[C],
GLN242OE168411[O], 3[N], 53[C],
GLN242CB3547[O], 2[N], 25[C],
GLN242C1845[O], 1[N], 11[C],
GLN243CD4748[O], 4[N], 34[C],
GLN243O141[C],
GLN243CA943[O], 5[C], 1[B],
GLN243N843[O], 5[C],
GLN243CB1244[O], 1[N], 7[C],
GLN243OE14948[O], 3[N], 37[C],
GLN243CG3646[O], 3[N], 26[C],
GLN243NE250410[O], 4[N], 35[C],
GLN247C1641[F], 3[O], 10[C], 1[B],
GLN247O1541[F], 3[O], 9[C], 1[B],
GLN247OE12941[F], 3[O], 1[N], 22[C],
GLN247CB2841[F], 5[O], 20[C],
GLN247CG2541[F], 5[O], 17[C],
GLN247N441[F], 3[C],
GLN247CD2841[F], 4[O], 21[C],
GLN247CA1441[F], 3[O], 8[C], 1[B],
GLN247NE22241[F], 3[O], 16[C],
PRO248N1741[F], 4[O], 10[C], 1[B],
PRO248C542[O], 3[C],
PRO248CD2241[F], 5[O], 15[C],
PRO248O341[O], 2[C],
PRO248CG1941[F], 5[O], 12[C], 1[B],
PRO248CA1741[F], 4[O], 10[C], 1[B],
PRO248CB2041[F], 5[O], 13[C], 1[B],
LEU251CD21541[F], 1[O], 11[C],
LEU251C241[O], 1[C],
LEU251CG2041[F], 2[O], 15[C],
LEU251CA641[F], 1[O], 3[C],
LEU251CB1641[F], 2[O], 11[C],
LEU251CD13541[F], 5[O], 27[C],
LEU251N141[C],
CYS252N241[O], 1[C],
CYS252SG341[O], 2[C],
LYS280CE2841[F], 1[O], 24[C],
LYS280CB541[F], 3[C],
LYS280O241[C],
LYS280NZ2941[F], 1[O], 25[C],
LYS280CA141[B],
LYS280CD1841[F], 1[O], 14[C],
LYS280CG1041[F], 8[C],
LYS280C141[B],
THR284CG21141[O], 10[C],
THR284OG11141[F], 9[C],
THR284CB646[C],
THR284CA343[C],
THR284O242[C],
THR284C141[C],
VAL420CG1141[B],
PHE423CZ2241[F], 5[O], 1[N], 14[C],
PHE423CG1241[F], 2[O], 8[C],
PHE423CD21541[F], 2[O], 11[C],
PHE423CD11441[F], 2[O], 10[C],
PHE423CE12041[F], 5[O], 13[C],
PHE423CB341[F], 1[C],
PHE423C241[F],
PHE423O541[F], 2[O], 1[C],
PHE423CE21941[F], 4[O], 13[C],
SER424CB241[F],
SER424CA341[F], 1[C],
SER424OG541[F], 3[C],
SER424N241[F],
PHE427O1443[O], 11[C],
PHE427C743[O], 4[C],
PHE427N141[O],
PHE427CE2242[C],
PHE427CB141[O],
PHE427CD2242[C],
PHE427CA141[O],
GLY428N1241[F], 3[O], 7[C],
GLY428C2041[F], 4[O], 1[N], 13[C],
GLY428O2841[F], 4[O], 1[N], 21[C],
GLY428CA2041[F], 3[O], 1[N], 14[C],
PRO429N1043[O], 6[C],
PRO429CD642[O], 3[C],
PRO429CB341[O], 2[C],
PRO429O741[O], 6[C],
PRO429CA1143[O], 8[C],
PRO429CG141[O],
PRO429C341[O], 2[C],
VAL430N141[O],
THR431CG21842[O], 2[N], 14[C],
THR431N141[O],
THR431O141[O],
THR431OG1342[O], 1[C],
THR431C341[O], 2[C],
THR431CB442[O], 2[C],
THR431CA141[O],
TRP432CD23246[O], 2[N], 24[C],
TRP432NE14248[O], 2[N], 31[C],
TRP432CG3146[O], 2[N], 23[C],
TRP432O741[O], 6[C],
TRP432N1143[O], 8[C],
TRP432C741[O], 6[C],
TRP432CD13647[O], 2[N], 26[C],
TRP432CB1944[O], 2[N], 13[C],
TRP432CZ23848[O], 2[N], 28[C],
TRP432CE32845[O], 2[N], 21[C],
TRP432CE23747[O], 2[N], 28[C],
TRP432CZ32845[O], 2[N], 21[C],
TRP432CA1043[O], 7[C],
LEU433CD2242[C],
LEU433N441[O], 3[C],
LEU435CB141[O],
LEU435CG141[O],
LEU435CD2541[O], 4[C],
LEU435CD1141[O],
SER436N141[O],
SER436CB141[O],
SER436OG141[O],
GLY445O141[C],
ALA447O242[C],
ALA447C141[C],
PHE448CE2641[O], 5[C],
PHE448CD2741[O], 6[C],
PHE448O1041[O], 8[C], 1[N],
PHE448CB941[O], 8[C],
PHE448CG741[O], 6[C],
PHE448CA741[O], 6[C],
PHE448CE1641[O], 5[C],
PHE448C841[O], 7[C],
PHE448CD1741[O], 6[C],
PHE448CZ541[O], 4[C],
PHE448N343[C],
ALA449CA545[C],
ALA449C444[C],
ALA449CB343[C],
ALA449O545[C],
ALA449N545[C],
PHE450CA242[C],
PHE450N242[C],
PHE450C242[C],
PHE450O242[C],
CYS451O1041[N], 9[C],
CYS451SG242[C],
CYS451CA645[C], 1[N],
CYS451CB645[C], 1[N],
CYS451C1041[N], 9[C],
CYS451N343[C],
ASN452CB1341[O], 1[N], 11[C],
ASN452N1041[N], 9[C],
ASN452ND21141[O], 1[N], 9[C],
ASN452OD12344[O], 2[N], 17[C],
ASN452CG1542[O], 1[N], 12[C],
ASN452O1341[O], 1[N], 11[C],
ASN452CA1241[O], 1[N], 10[C],
ASN452C1141[O], 1[N], 9[C],
SER453O242[C],
SER453CA545[C],
SER453CB141[C],
SER453C343[C],
SER453N847[C], 1[N],
SER453OG141[C],
PHE454N343[C],
PHE454O141[C],
PHE454C443[C], 1[N],
ASN455O1443[O], 1[N], 10[C],
ASN455CB2343[O], 2[N], 18[C],
ASN455OD13147[O], 2[N], 22[C],
ASN455C1443[O], 1[N], 10[C],
ASN455CG3045[O], 2[N], 23[C],
ASN455N841[N], 7[C],
ASN455CA1543[O], 1[N], 11[C],
ASN455ND23246[O], 2[N], 24[C],
TRP456O141[C],
TRP456C242[C],
TRP456CE22344[O], 2[N], 17[C],
TRP456NE11743[O], 1[N], 13[C],
TRP456CB842[O], 1[N], 5[C],
TRP456CZ22846[O], 2[N], 20[C],
TRP456CA1043[O], 1[N], 6[C],
TRP456CZ32144[O], 2[N], 15[C],
TRP456CD21944[O], 1[N], 14[C],
TRP456CG1443[O], 1[N], 10[C],
TRP456N1243[O], 1[N], 8[C],
TRP456CE31844[O], 1[N], 13[C],
TRP456CD11643[O], 1[N], 12[C],
ALA457N141[C],
ASN459C141[O],
ASN459CB1243[O], 1[N], 8[C],
ASN459ND22341[F], 5[O], 1[N], 16[C],
ASN459N141[O],
ASN459CG1343[O], 10[C],
ASN459OD1942[O], 7[C],
ASN459O141[O],
ASN459CA341[O], 2[C],
Total = 343



Download csv file of statistical distribution of contacts