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: 4VM_B_4(5BNS) / Model_25(5BNS/B) = [10.5] Download1070.9525.39MAFAKISQVAHYVPEQVVTNHDLAQIMDTNDEWISSRTGIRQRHISRTESTSDLATEVAKKLMAKAGITGEELDFIILATITPDSMMPSTAARVQANIGANKAFAFDLTAACSGFVFALSTAEKFIASGRFQKGLVIGSETLSKAVDWSDRSTAVLFGDGAGGVLLEASEQEHFLAESLNSDGSRSECLTYGHSGLHSPFSDQESADSFLKMDGRTVFDFAIRDVAKSIKQTIDESPIEVTDLDYLLLHQANDRILDKMARKIGVDRAKLPANMMEYGNTSAASIPILLSECVEQGLIPLDGSQTVLLSGFGGGLTWGTLILTI
Complex: CO8_A_4(5V0P) / Model_39(5V0P/A) = [8.7] Download2126.1020.32MAFAKISQVAHYVPEQVVTNHDLAQIMDTNDEWISSRTGIRQRHISRTESTSDLATEVAKKLMAKAGITGEELDFIILATITPDSMMPSTAARVQANIGANKAFAFDLTAACSGFVFALSTAEKFIASGRFQKGLVIGSETLSKAVDWSDRSTAVLFGDGAGGVLLEASEQEHFLAESLNSDGSRSECLTYGHSGLHSPFSDQESADSFLKMDGRTVFDFAIRDVAKSIKQTIDESPIEVTDLDYLLLHQANDRILDKMARKIGVDRAKLPANMMEYGNTSAASIPILLSECVEQGLIPLDGSQTVLLSGFGGGLTWGTLILTI
Complex: COA_C_3(1HND) / Model_8(1HND/A) = [8.4] Download1583.0318.00MAFAKISQVAHYVPEQVVTNHDLAQIMDTNDEWISSRTGIRQRHISRTESTSDLATEVAKKLMAKAGITGEELDFIILATITPDSMMPSTAARVQANIGANKAFAFDLTAACSGFVFALSTAEKFIASGRFQKGLVIGSETLSKAVDWSDRSTAVLFGDGAGGVLLEASEQEHFLAESLNSDGSRSECLTYGHSGLHSPFSDQESADSFLKMDGRTVFDFAIRDVAKSIKQTIDESPIEVTDLDYLLLHQANDRILDKMARKIGVDRAKLPANMMEYGNTSAASIPILLSECVEQGLIPLDGSQTVLLSGFGGGLTWGTLILTI
Complex: 4VN_A_4(5BQS) / Model_1(5BQS/A) = [6.9] Download881.6027.93MAFAKISQVAHYVPEQVVTNHDLAQIMDTNDEWISSRTGIRQRHISRTESTSDLATEVAKKLMAKAGITGEELDFIILATITPDSMMPSTAARVQANIGANKAFAFDLTAACSGFVFALSTAEKFIASGRFQKGLVIGSETLSKAVDWSDRSTAVLFGDGAGGVLLEASEQEHFLAESLNSDGSRSECLTYGHSGLHSPFSDQESADSFLKMDGRTVFDFAIRDVAKSIKQTIDESPIEVTDLDYLLLHQANDRILDKMARKIGVDRAKLPANMMEYGNTSAASIPILLSECVEQGLIPLDGSQTVLLSGFGGGLTWGTLILTI
Complex: ACO_A_5(3IL4) / Model_3(3IL4/A) = [6.8] Download1548.2115.29MAFAKISQVAHYVPEQVVTNHDLAQIMDTNDEWISSRTGIRQRHISRTESTSDLATEVAKKLMAKAGITGEELDFIILATITPDSMMPSTAARVQANIGANKAFAFDLTAACSGFVFALSTAEKFIASGRFQKGLVIGSETLSKAVDWSDRSTAVLFGDGAGGVLLEASEQEHFLAESLNSDGSRSECLTYGHSGLHSPFSDQESADSFLKMDGRTVFDFAIRDVAKSIKQTIDESPIEVTDLDYLLLHQANDRILDKMARKIGVDRAKLPANMMEYGNTSAASIPILLSECVEQGLIPLDGSQTVLLSGFGGGLTWGTLILTI
Consensus
[pKd Mean = 8.26]		-1441
(s=436)		21
(s=4)		MAFAKISQVAHYVPEQVVTNHDLAQIMDTNDEWISSRTGIRQRHISRTESTSDLATEVAKKLMAKAGITGEELDFIILATITPDSMMPSTAARVQANIGANKAFAFDLTAACSGFVFALSTAEKFIASGRFQKGLVIGSETLSKAVDWSDRSTAVLFGDGAGGVLLEASEQEHFLAESLNSDGSRSECLTYGHSGLHSPFSDQESADSFLKMDGRTVFDFAIRDVAKSIKQTIDESPIEVTDLDYLLLHQANDRILDKMARKIGVDRAKLPANMMEYGNTSAASIPILLSECVEQGLIPLDGSQTVLLSGFGGGLTWGTLILTI



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]
ASN20ND2191[N],
LEU23CD2292[N],
LEU23CG292[N],
LEU23CD1393[N],
MET27CE1196[C], 5[N],
MET27CG1799[C], 8[N],
MET27SD24914[C], 10[N],
ASP28OD11797[N], 10[C],
ASP28CG1897[N], 11[C],
ASP28OD21296[N], 6[C],
THR29CG233913[N], 20[C],
THR29OG144916[N], 28[C],
ASN30ND21797[N], 10[C],
ASN30CG1397[N], 6[C],
ASN30OD1793[N], 4[C],
TRP33NE111697[P], 59[C], 33[O], 17[N],
TRP33CG86916[N], 18[O], 51[C], 1[P],
TRP33CZ312494[P], 76[C], 26[O], 1[S], 17[N],
TRP33CD192916[N], 4[P], 48[C], 24[O],
TRP33CE2127971[C], 6[P], 33[O], 17[N],
TRP33CD210994[P], 61[C], 27[O], 17[N],
TRP33CE3103917[O], 3[P], 65[C], 18[N],
TRP33CZ214299[P], 75[C], 40[O], 1[S], 17[N],
ILE34CD126915[C], 11[N],
ILE34CG21897[N], 11[C],
ILE34CG133913[N], 20[C],
SER36OG292[O],
ARG37CD138933[O], 82[C], 5[P], 15[N], 2[S],
ARG37CG14992[S], 22[N], 4[P], 89[C], 31[O],
ARG37CZ103928[O], 4[P], 60[C], 9[N], 1[S],
ARG37NE12091[S], 10[N], 4[P], 73[C], 31[O],
THR38OG14999[O], 32[C], 6[N], 1[S], 1[B],
THR38CG2125925[O], 1[P], 81[C], 15[N], 2[S],
ILE40CG1391[O], 2[C],
ILE40CD12692[N], 1[B], 6[O], 17[C],
ILE81CD11291[S], 9[C], 2[O],
ILE81CG1998[C], 1[O],
ILE81CG2897[C], 1[O],
THR82CG2696[C],
THR82OG1191[C],
CYS112SG67910[O], 51[C], 3[N], 3[S],
SER113OG1792[S], 13[C], 2[O],
GLU140OE2797[C],
GLU140CG595[C],
GLU140CD797[C],
GLU140OE1897[C], 1[S],
LEU142CD21099[C], 1[O],
LEU142CG1494[O], 10[C],
LEU142CD128919[C], 7[O], 2[S],
VAL146CG1292[C],
VAL146CG2393[C],
ASP150CG491[C], 3[N],
ASP150OD2392[C], 1[N],
ASP150OD11591[O], 7[C], 7[N],
ARG151CD68910[O], 41[C], 17[N],
ARG151NE7992[P], 45[C], 15[O], 17[N],
ARG151CG6599[O], 39[C], 17[N],
ARG151CZ87917[N], 50[C], 2[P], 18[O],
SER152OG85917[N], 46[C], 2[P], 20[O],
THR153OG1292[C],
THR153CG21192[N], 1[O], 8[C],
VAL155CG26694[O], 41[C], 20[N],
VAL155CG166943[C], 4[O], 1[S], 18[N],
LEU156CD11599110[C], 27[O], 4[S], 17[N],
LEU156CG1489103[C], 22[O], 3[S], 19[N],
LEU156CD21549108[C], 23[O], 1[F], 3[S], 18[N],
PHE157CE28293[S], 5[N], 62[C], 12[O],
PHE157CD15693[S], 2[N], 40[C], 11[O],
PHE157CG4993[S], 1[N], 34[C], 11[O],
PHE157CD255910[O], 39[C], 3[N], 3[S],
PHE157CZ10393[S], 7[N], 80[C], 13[O],
PHE157CE185912[O], 64[C], 6[N], 3[S],
ASP159OD1191[C],
LEU189CD191970[C], 1[F], 13[O], 3[S], 3[N],
LEU189CD295972[C], 14[O], 1[F], 3[S], 5[N],
LEU189CG8693[N], 3[S], 12[O], 1[F], 66[C],
TYR191CD2595[C],
TYR191CD1696[C],
TYR191CE2595[C],
TYR191CG595[C],
TYR191CE1991[O], 8[C],
TYR191CZ797[C],
LEU210CD220918[C], 2[O],
LEU210CD120914[C], 6[O],
LEU210CG892[O], 6[C],
MET212CG139911[N], 3[S], 1[F], 22[O], 101[C],
MET212CE167914[N], 5[S], 30[O], 1[F], 115[C],
MET212SD153914[N], 4[S], 1[F], 23[O], 108[C],
ASP213OD2191[O],
ASP213OD115910[O], 2[C], 3[P],
ASP213CG494[O],
ARG215CZ5892[N], 26[O], 7[P], 23[C],
ARG215CD7792[N], 33[O], 7[P], 35[C],
ARG215CG11098[N], 2[S], 38[O], 7[P], 55[C],
ARG215NE72934[C], 7[P], 30[O], 1[N],
VAL217CG212793[S], 11[N], 89[C], 1[F], 21[O],
VAL217CG1126987[C], 22[O], 1[F], 3[S], 11[N],
PHE218CE1105968[C], 1[P], 1[F], 21[O], 2[S], 10[N],
PHE218CD213192[P], 84[C], 27[O], 1[F], 2[S], 13[N],
PHE218CG143926[O], 1[F], 2[P], 96[C], 13[N], 2[S],
PHE218CD112391[P], 78[C], 25[O], 1[F], 3[S], 13[N],
PHE218CZ9592[S], 12[N], 1[P], 58[C], 20[O], 1[F],
PHE218CE210491[F], 23[O], 64[C], 2[P], 11[N], 2[S],
ASP219CG494[C],
ASP219OD2795[C], 2[O],
ASP219OD1694[C], 2[O],
PHE220CD211911[C],
PHE220CE210910[C],
PHE220CG1091[O], 9[C],
PHE220CZ999[C],
PHE220CD11291[O], 10[C], 1[N],
PHE220CE11091[N], 8[C], 1[O],
ILE222CG11291[F], 3[O], 8[C],
ILE222CD11096[C], 3[O], 1[F],
VAL225CG216914[C], 1[O], 1[F],
HIS249CE17693[N], 3[S], 11[O], 1[F], 57[C],
HIS249CG67950[C], 10[O], 1[F], 3[S], 3[N],
HIS249CD282960[C], 12[O], 1[F], 3[S], 4[N],
HIS249NE28593[S], 4[N], 63[C], 1[F], 12[O],
HIS249ND161946[C], 10[O], 3[S], 2[N],
ASN252ND2163934[O], 1[F], 2[P], 107[C], 14[N], 3[S],
ASN252CG159930[O], 1[F], 2[P], 107[C], 13[N], 3[S],
ASN252OD114293[S], 13[N], 95[C], 1[P], 1[F], 27[O],
ARG254CG4794[N], 1[S], 14[O], 2[P], 25[C],
ARG254CD8392[P], 51[C], 22[O], 1[S], 6[N],
ARG254NE7895[N], 1[S], 21[O], 47[C], 3[P],
ARG254CZ87928[O], 46[C], 4[P], 6[N], 2[S],
ILE255CG27591[S], 7[N], 56[C], 1[F], 8[O],
ILE255CG113192[S], 14[N], 94[C], 18[O], 1[F],
ILE255CD1155914[N], 5[S], 1[F], 23[O], 109[C],
LYS258NZ393[C],
MET259SD391[F], 2[C],
MET259CE491[F], 3[C],
MET274SD693[O], 3[C],
MET274CE391[C], 2[O],
ASN279OD17793[N], 3[S], 12[O], 59[C],
ASN279ND211693[S], 8[N], 87[C], 15[O], 1[F],
ASN279CG9196[N], 3[S], 13[O], 67[C],
SER281OG3492[S], 24[C], 8[O],
SER284OG1096[O], 2[C], 2[S],
PHE311CD26592[N], 2[S], 1[F], 8[O], 52[C],
PHE311CE17792[S], 5[N], 56[C], 13[O], 1[F],
PHE311CE268950[C], 1[F], 9[O], 3[S], 4[N],
PHE311CG6893[S], 3[N], 52[C], 9[O], 1[F],
PHE311CD17491[F], 12[O], 55[C], 4[N], 2[S],
PHE311CZ7292[S], 5[N], 53[C], 11[O], 1[F],
LEU315CD11191[S], 1[N], 8[C], 1[O],
LEU315CD23391[N], 1[F], 2[O], 29[C],
LEU315CG991[O], 7[C], 1[S],
THR316OG1691[S], 1[O], 4[C],
Total = 150



Download csv file of statistical distribution of contacts