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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ANP_A_4(4QNY) / Model_38(4QNY/A) = [4.7] Download1514.5218.27MTSYGIDGEVEQRYRILRHIGSGAYGVVWCALDRRTGKCVALKKVYDAFGNVQDAQRTYREVMLLQRLRHNPFIVGILDVIRAANDIDLYLVFELIETDLTAIIRKNLLQRDHKRFLTYQLLRTVAQLHAQNIIHRDLKPANIFVSSDCSIKLGDFGLARTFRSGFDNEQEFLDLTDYIATRWYRSPEILVKSRAYSTAMDMWAIGCVIGEMLLGHPLFEGRNTLDQLRLIVEAIGVPSDADVRSLHSPELETLINSLPTPLIFSPLVGNKNLKDSEATDLMMKLIVFNPKRRLSAVEALQHPYVAPFVQPGELEKIQDLDPLVLPLVDEKVYTKEEYKANLYDEIGMRYRHHITDVY
Consensus
[pKd Mean = 4.70]		-1514
(s=0)		18
(s=0)		MTSYGIDGEVEQRYRILRHIGSGAYGVVWCALDRRTGKCVALKKVYDAFGNVQDAQRTYREVMLLQRLRHNPFIVGILDVIRAANDIDLYLVFELIETDLTAIIRKNLLQRDHKRFLTYQLLRTVAQLHAQNIIHRDLKPANIFVSSDCSIKLGDFGLARTFRSGFDNEQEFLDLTDYIATRWYRSPEILVKSRAYSTAMDMWAIGCVIGEMLLGHPLFEGRNTLDQLRLIVEAIGVPSDADVRSLHSPELETLINSLPTPLIFSPLVGNKNLKDSEATDLMMKLIVFNPKRRLSAVEALQHPYVAPFVQPGELEKIQDLDPLVLPLVDEKVYTKEEYKANLYDEIGMRYRHHITDVY



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]
ILE20C1814[O], 4[N], 10[C],
ILE20CG21012[O], 3[N], 5[C],
ILE20CD11612[O], 5[N], 9[C],
ILE20CB1512[O], 4[N], 9[C],
ILE20CA1312[O], 3[N], 8[C],
ILE20O1814[O], 4[N], 10[C],
ILE20CG11712[O], 5[N], 10[C],
ILE20N812[O], 2[N], 4[C],
GLY21O1516[O], 1[N], 7[C], 1[P],
GLY21CA2118[O], 3[N], 9[C], 1[P],
GLY21C1817[O], 2[N], 7[C], 2[P],
GLY21N1714[O], 4[N], 9[C],
SER22N1718[O], 1[N], 6[C], 2[P],
SER22C1719[O], 5[C], 1[N], 2[P],
SER22O1719[O], 5[C], 1[N], 2[P],
SER22CB412[O], 2[C],
SER22CA1417[O], 5[C], 2[P],
SER22OG211[O], 1[C],
GLY23O714[O], 1[C], 1[N], 1[P],
GLY23C1216[O], 2[C], 1[N], 3[P],
GLY23N1618[O], 4[C], 1[N], 3[P],
GLY23CA18111[O], 3[C], 1[N], 3[P],
ALA24C714[O], 1[N], 2[P],
ALA24O313[O],
ALA24CB714[O], 1[N], 2[P],
ALA24N1217[O], 1[C], 1[N], 3[P],
ALA24CA815[O], 1[N], 2[P],
TYR25C815[O], 1[N], 2[P],
TYR25O715[O], 2[P],
TYR25N916[O], 1[N], 2[P],
TYR25CA613[O], 1[N], 2[P],
TYR25CE1111[O],
TYR25CD1212[O],
TYR25CE2413[O], 1[P],
TYR25CD2714[O], 1[N], 2[P],
TYR25CB714[O], 1[N], 2[P],
TYR25CG614[O], 1[N], 1[P],
TYR25CZ111[O],
GLY26C815[O], 1[C], 2[P],
GLY26N714[O], 1[N], 2[P],
GLY26O1418[O], 2[C], 1[N], 3[P],
GLY26CA513[O], 2[P],
VAL27C1014[O], 1[N], 4[C], 1[P],
VAL27CA614[O], 2[C],
VAL27N514[O], 1[C],
VAL27O815[O], 3[C],
VAL28CG12317[O], 5[N], 10[C], 1[P],
VAL28CB2619[O], 5[N], 10[C], 2[P],
VAL28CG229110[O], 10[C], 6[N], 3[P],
VAL28C1512[O], 4[N], 9[C],
VAL28CA2015[O], 4[N], 10[C], 1[P],
VAL28N1614[O], 3[N], 8[C], 1[P],
VAL28O1413[O], 3[N], 8[C],
TRP29N1111[O], 4[N], 6[C],
TRP29C612[N], 4[C],
TRP29O914[C], 5[N],
TRP29CA211[C], 1[N],
CYS30CB311[C], 2[N],
CYS30N412[C], 2[N],
CYS30CA311[C], 2[N],
CYS30SG211[C], 1[N],
VAL40O412[N], 2[C],
VAL40C512[N], 3[C],
VAL40N111[N],
VAL40CA312[N], 1[C],
ALA41CA1015[C], 5[N],
ALA41N814[C], 4[N],
ALA41C1015[C], 5[N],
ALA41CB1211[O], 5[N], 6[C],
ALA41O813[N], 5[C],
LEU42CA412[C], 2[N],
LEU42N1015[C], 5[N],
LEU42C714[C], 3[N],
LEU42O811[O], 4[C], 3[N],
LYS43CA1015[O], 2[C], 2[N], 1[P],
LYS43CE22110[O], 6[C], 3[N], 3[P],
LYS43CD23110[O], 7[C], 3[N], 3[P],
LYS43NZ20110[O], 4[C], 3[N], 3[P],
LYS43N512[N], 3[C],
LYS43C111[O],
LYS43CB1917[O], 3[N], 6[C], 3[P],
LYS43CG22110[O], 6[C], 3[N], 3[P],
LYS44O413[O], 1[P],
LYS44C111[O],
VAL45CB111[O],
VAL45CG1111[O],
VAL45N111[O],
VAL45CA111[O],
VAL45CG2312[O], 1[P],
PHE49CE1614[O], 1[N], 1[P],
PHE49CD2413[O], 1[P],
PHE49CZ815[O], 1[N], 2[P],
PHE49CE2714[O], 1[N], 2[P],
PHE49CG312[O], 1[P],
PHE49CD1312[O], 1[P],
ASP54O111[O],
ARG57CD111[O],
ARG57C212[O],
ARG57CB212[O],
ARG57O212[O],
ARG57CG111[O],
THR58N212[O],
THR58CG2413[O], 1[P],
THR58C111[O],
THR58CA413[O], 1[P],
THR58O111[O],
THR58CB413[O], 1[P],
GLU61CG715[O], 1[N], 1[P],
GLU61CB413[O], 1[P],
GLU61N111[O],
GLU61OE21319[O], 1[N], 3[P],
GLU61CD1117[O], 1[N], 3[P],
GLU61CA111[O],
GLU61OE11218[O], 1[N], 3[P],
GLU61C111[O],
LEU65CD1111[O],
LEU65CD2111[O],
VAL75CG11111[O], 5[C], 5[N],
VAL75N111[N],
VAL75CG21111[O], 5[C], 5[N],
VAL75O111[N],
VAL75C111[N],
VAL75CA412[C], 2[N],
VAL75CB713[N], 4[C],
GLY76N111[N],
GLY76CA111[N],
GLY76C111[N],
GLY76O211[N], 1[C],
LEU91O212[N],
LEU91CD1514[O], 1[P],
VAL92O111[N],
VAL92C111[N],
PHE93CB915[C], 4[N],
PHE93N512[C], 3[N],
PHE93CE1711[O], 2[N], 3[C], 1[P],
PHE93CZ411[O], 2[N], 1[C],
PHE93C613[C], 3[N],
PHE93O613[C], 3[N],
PHE93CD2611[O], 2[N], 3[C],
PHE93CD1911[O], 4[C], 4[N],
PHE93CA512[C], 3[N],
PHE93CG811[O], 3[N], 4[C],
PHE93CE2311[O], 2[N],
GLU94N613[C], 3[N],
GLU94OE1111[N],
GLU94CB312[N], 1[C],
GLU94CG111[N],
GLU94C814[C], 4[N],
GLU94CA613[C], 3[N],
GLU94CD111[N],
GLU94O1015[C], 5[N],
LEU95N814[C], 4[N],
LEU95CB713[N], 4[C],
LEU95C914[C], 5[N],
LEU95CG713[N], 4[C],
LEU95CD11115[N], 6[C],
LEU95O713[N], 4[C],
LEU95CD2513[N], 2[C],
LEU95CA914[C], 5[N],
ILE96C914[C], 5[N],
ILE96CG11015[C], 5[N],
ILE96CB1215[N], 7[C],
ILE96O1311[O], 5[N], 7[C],
ILE96CD1713[N], 4[C],
ILE96N1115[N], 6[C],
ILE96CG2914[C], 5[N],
ILE96CA1015[C], 5[N],
GLU97N713[N], 4[C],
GLU97C711[O], 2[N], 4[C],
GLU97CA512[N], 3[C],
GLU97O611[O], 2[N], 3[C],
GLU97CB211[C], 1[N],
THR98C1212[O], 3[N], 7[C],
THR98O1512[O], 5[N], 8[C],
THR98N1011[O], 3[N], 6[C],
THR98OG1411[O], 1[N], 2[C],
THR98CA1011[O], 3[N], 6[C],
THR98CB411[O], 1[N], 2[C],
ASP99OD22015[O], 4[N], 10[C], 1[P],
ASP99O312[O], 1[C],
ASP99CB1613[O], 4[N], 9[C],
ASP99N1112[O], 3[N], 6[C],
ASP99OD1913[O], 2[N], 4[C],
ASP99CA912[O], 2[N], 5[C],
ASP99CG1615[O], 2[N], 9[C],
ASP99C412[O], 2[C],
LEU100N312[O], 1[C],
THR101CA111[O],
THR101N212[O],
THR101CG2111[O],
THR101OG1312[O], 1[C],
THR101CB312[O], 1[C],
ALA102N212[O],
ALA102CB111[O],
ALA102CA111[O],
HIS135CE1111[O],
ASP137O111[O],
ASP137OD1211[O], 1[N],
ASP137CB111[N],
ASP137CG714[O], 1[N], 2[P],
ASP137OD21218[O], 1[N], 3[P],
LYS139O111[O],
PRO140O412[O], 2[C],
PRO140C412[O], 2[C],
PRO140CA111[O],
ALA141CB1316[O], 5[C], 2[P],
ALA141C1718[O], 1[N], 6[C], 2[P],
ALA141CA1216[O], 5[C], 1[P],
ALA141N513[O], 2[C],
ALA141O2118[O], 3[N], 8[C], 2[P],
ASN142O713[O], 3[C], 1[P],
ASN142CB1316[O], 4[C], 1[N], 2[P],
ASN142C1115[O], 1[N], 4[C], 1[P],
ASN142N1417[O], 6[C], 1[P],
ASN142CG1618[O], 4[C], 1[N], 3[P],
ASN142OD123112[O], 6[C], 2[N], 3[P],
ASN142ND21519[O], 2[C], 1[N], 3[P],
ASN142CA1918[O], 6[C], 3[N], 2[P],
ILE143CA311[O], 2[C],
ILE143O412[O], 2[C],
ILE143C412[O], 2[C],
ILE143N513[O], 2[C],
PHE144CE22317[O], 5[N], 10[C], 1[P],
PHE144CD12216[O], 5[N], 10[C], 1[P],
PHE144CB1512[O], 5[N], 8[C],
PHE144CG2216[O], 5[N], 10[C], 1[P],
PHE144N1312[O], 4[N], 7[C],
PHE144CE12418[O], 5[N], 10[C], 1[P],
PHE144CZ2518[O], 5[N], 10[C], 2[P],
PHE144CD22216[O], 5[N], 10[C], 1[P],
PHE144C512[N], 3[C],
PHE144CA1512[O], 5[N], 8[C],
VAL145N311[C], 2[N],
VAL145O311[C], 2[N],
LYS152CB211[N], 1[C],
LYS152O412[C], 2[N],
LYS152CD211[N], 1[C],
LYS152NZ111[N],
GLY154C1317[O], 2[C], 2[N], 2[P],
GLY154CA1314[O], 3[N], 5[C], 1[P],
GLY154N612[O], 1[N], 2[C], 1[P],
GLY154O816[O], 1[N], 1[P],
ASP155C1218[O], 1[N], 3[P],
ASP155CA18110[O], 3[C], 2[N], 3[P],
ASP155O1117[O], 1[N], 3[P],
ASP155CB21111[O], 5[C], 2[N], 3[P],
ASP155OD220111[O], 5[C], 1[N], 3[P],
ASP155N1918[O], 5[C], 3[N], 3[P],
ASP155CG18110[O], 4[C], 1[N], 3[P],
ASP155OD11419[O], 1[C], 1[N], 3[P],
PHE156O412[O], 1[N], 1[P],
PHE156C614[O], 1[N], 1[P],
PHE156CB111[O],
PHE156CD2111[O],
PHE156CA513[O], 1[N], 1[P],
PHE156N1016[O], 1[N], 3[P],
GLY157N1016[O], 1[N], 3[P],
GLY157C513[O], 1[N], 1[P],
GLY157CA815[O], 1[N], 2[P],
GLY157O513[O], 1[N], 1[P],
LEU158CA312[O], 1[P],
LEU158CD2312[O], 1[P],
LEU158N412[O], 1[N], 1[P],
LEU158CD1412[O], 1[N], 1[P],
LEU158CB412[O], 1[N], 1[P],
LEU158CG412[O], 1[N], 1[P],
Total = 266



Download csv file of statistical distribution of contacts