Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
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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: NAP_A_2(3F1K) / Model_7(3F1K/A) = [9.3] Download1415.9222.42MKYSEYQPRPDLLKDRIILITGAGDGIGRAAALSYALHGATVVLHGRTLNKLEVIYDEIEGLGAPQPAILPLQLSSASDRDYDFLVSTLEKQFGRLDGILHNAGILGERVELAHYPAEVWDDVMAVNLRAPFALTQALLPLLQKSENASVVFTSSGVGREARALWGAYSVSKVAIEAVSKIFAAEHTYPNIRFNCINPGATRTAMRAKAYPEEDPKTLPTPESIMPAYLYLMGEDSLTLNGQSIDAQD
Consensus
[pKd Mean = 9.30]		-1415
(s=0)		22
(s=0)		MKYSEYQPRPDLLKDRIILITGAGDGIGRAAALSYALHGATVVLHGRTLNKLEVIYDEIEGLGAPQPAILPLQLSSASDRDYDFLVSTLEKQFGRLDGILHNAGILGERVELAHYPAEVWDDVMAVNLRAPFALTQALLPLLQKSENASVVFTSSGVGREARALWGAYSVSKVAIEAVSKIFAAEHTYPNIRFNCINPGATRTAMRAKAYPEEDPKTLPTPESIMPAYLYLMGEDSLTLNGQSIDAQD



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]
GLY22O1217[O], 5[C],
GLY22CA1217[C], 3[O], 2[N],
GLY22C815[C], 3[O],
GLY22N1116[C], 3[O], 2[N],
ALA23C111[O],
ALA23N412[O], 2[C],
ALA23O111[O],
ALA23CA111[O],
GLY24N413[O], 1[C],
GLY24C513[O], 1[P], 1[C],
GLY24CA614[O], 1[P], 1[C],
GLY24O212[O],
ASP25O1414[C], 8[O], 2[P],
ASP25C1113[C], 6[O], 2[P],
ASP25CB1317[O], 2[P], 4[C],
ASP25OD1413[O], 1[P],
ASP25CA911[P], 6[O], 2[C],
ASP25OD2611[P], 4[O], 1[C],
ASP25CG711[C], 5[O], 1[P],
ASP25N913[C], 1[P], 5[O],
GLY26C811[C], 2[P], 5[O],
GLY26O311[P], 2[O],
GLY26CA912[P], 7[O],
GLY26N1012[P], 7[O], 1[C],
ILE27CG11311[N], 6[C], 5[O], 1[P],
ILE27C311[C], 1[O], 1[P],
ILE27O111[O],
ILE27CG2611[P], 3[O], 2[C],
ILE27N815[O], 2[P], 1[C],
ILE27CB915[O], 1[P], 2[C], 1[N],
ILE27CA611[C], 1[P], 4[O],
ILE27CD11612[N], 1[P], 6[O], 7[C],
GLY28N511[C], 3[O], 1[P],
GLY28CA211[O], 1[C],
ARG29N111[O],
HIS45O211[C], 1[N],
GLY46CA612[N], 2[O], 2[C],
GLY46C512[N], 1[C], 2[O],
GLY46N211[N], 1[C],
GLY46O311[C], 2[N],
ARG47NE1715[N], 7[C], 1[P], 4[O],
ARG47CG1615[N], 4[O], 1[P], 6[C],
ARG47C111[O],
ARG47N812[N], 2[O], 1[P], 3[C],
ARG47CB1113[O], 1[P], 4[C], 3[N],
ARG47CA612[C], 1[O], 1[P], 2[N],
ARG47CZ1717[C], 1[P], 4[O], 5[N],
ARG47CD1513[O], 1[P], 6[C], 5[N],
THR48CB312[O], 1[P],
THR48O111[O],
THR48N211[O], 1[P],
THR48CG2111[O],
THR48C111[O],
THR48OG1411[P], 3[O],
THR48CA111[O],
LYS51CB212[O],
LYS51CG212[O],
LYS51NZ111[O],
LEU72C412[N], 2[C],
LEU72O714[C], 3[N],
LEU72CB111[C],
LEU72CA211[C], 1[N],
GLN73C512[N], 3[C],
GLN73N412[N], 2[C],
GLN73CG512[N], 3[C],
GLN73O412[N], 2[C],
GLN73NE2111[N],
GLN73CB412[N], 2[C],
GLN73CA613[C], 3[N],
GLN73CD311[C], 2[N],
LEU74CG713[N], 4[C],
LEU74N714[C], 3[N],
LEU74O311[C], 2[N],
LEU74CD1914[C], 5[N],
LEU74CA613[C], 3[N],
LEU74CD2311[N], 2[C],
LEU74C513[C], 2[N],
LEU74CB814[C], 4[N],
SER75OG311[C], 2[N],
SER75C111[N],
SER75CB311[C], 2[N],
SER75CA311[C], 2[N],
SER75N512[N], 3[C],
SER76N111[N],
HIS101C111[O],
HIS101O111[O],
ASN102N111[O],
ASN102OD11416[C], 1[P], 7[O],
ASN102ND21315[O], 1[P], 7[C],
ASN102CB411[O], 3[C],
ASN102CG1115[C], 1[P], 5[O],
ASN102O1618[C], 1[P], 7[O],
ASN102CA513[C], 2[O],
ASN102C1117[C], 4[O],
ALA103C1413[N], 9[C], 2[O],
ALA103CA1813[N], 3[O], 12[C],
ALA103CB1414[N], 9[C], 1[O],
ALA103O713[C], 3[O], 1[N],
ALA103N911[N], 2[O], 6[C],
GLY104O1412[N], 9[C], 3[O],
GLY104C1412[N], 8[C], 4[O],
GLY104CA1412[N], 9[C], 3[O],
GLY104N1913[N], 4[O], 12[C],
ILE105CD1915[C], 1[O], 3[N],
ILE105O111[O],
ILE105CG1714[C], 3[N],
ILE105CG2211[C], 1[N],
ILE105CB211[N], 1[C],
ILE105N712[N], 2[C], 3[O],
ILE105CA211[C], 1[N],
VAL126CG2613[N], 3[C],
VAL126CG1915[N], 4[C],
VAL126CA111[N],
VAL126CB412[N], 2[C],
ASN127ND2111[O],
ASN127OD1111[O],
THR153OG1712[O], 5[C],
THR153CG21214[O], 7[C], 1[N],
THR153CB915[C], 3[O], 1[N],
THR153N111[O],
THR153C311[C], 2[O],
THR153O512[O], 3[C],
THR153CA311[O], 2[C],
SER154O1113[O], 7[C], 1[N],
SER154CA111[C],
SER154C511[N], 1[O], 3[C],
SER154N111[C],
SER155CA413[C], 1[N],
SER155C212[C],
SER155CB614[C], 1[O], 1[N],
SER155OG411[N], 3[C],
SER155N212[C],
GLY156N111[C],
TYR168CD1111[O],
TYR168CD2111[O],
TYR168CE2513[C], 1[O], 1[N],
TYR168CZ916[C], 2[O], 1[N],
TYR168CE1811[N], 5[C], 2[O],
TYR168CG111[O],
LYS172NZ712[O], 5[C],
LYS172CG111[O],
LYS172CE714[C], 2[O], 1[N],
LYS172CD212[O],
ASN197OD1514[C], 1[N],
ASN197CG111[C],
PRO198CB1011[O], 7[C], 2[N],
PRO198CA413[C], 1[N],
PRO198N611[N], 5[C],
PRO198CD917[C], 1[O], 1[N],
PRO198CG1319[C], 2[O], 2[N],
PRO198C515[C],
GLY199N816[C], 1[O], 1[N],
GLY199O916[C], 1[O], 2[N],
GLY199CA615[C], 1[O],
GLY199C816[C], 1[O], 1[N],
ALA200N614[C], 1[O], 1[N],
ALA200CA614[C], 1[O], 1[N],
ALA200C513[C], 1[O], 1[N],
ALA200O311[O], 1[C], 1[N],
ALA200CB312[C], 1[O],
THR201C311[N], 1[O], 1[C],
THR201OG1614[C], 1[O], 1[N],
THR201CA411[O], 2[C], 1[N],
THR201CG2311[N], 1[O], 1[C],
THR201N611[O], 4[C], 1[N],
THR201O512[C], 2[O], 1[N],
THR201CB511[N], 3[C], 1[O],
ARG202C111[N],
ARG202N311[O], 1[C], 1[N],
THR203N211[O], 1[N],
THR203CB1112[P], 7[O], 1[C], 1[N],
THR203OG11311[N], 3[C], 7[O], 2[P],
THR203O212[O],
THR203C313[O],
THR203CG21111[C], 7[O], 2[P], 1[N],
THR203CA511[N], 3[O], 1[P],
ALA204N413[O], 1[P],
ALA204CB312[O], 1[P],
ALA204CA212[O],
ALA204O111[O],
ALA204C111[O],
MET205CA413[O], 1[P],
MET205C313[O],
MET205N514[O], 1[P],
MET205CE611[P], 4[O], 1[C],
MET205CB912[P], 6[O], 1[C],
MET205CG611[C], 4[O], 1[P],
MET205SD312[O], 1[P],
ARG206N511[N], 3[O], 1[C],
ARG206CB411[O], 2[C], 1[N],
ARG206C111[O],
ARG206CZ211[C], 1[O],
ARG206CD511[O], 3[C], 1[N],
ARG206CG311[C], 1[O], 1[N],
ARG206CA311[C], 1[O], 1[N],
ARG206NE211[C], 1[O],
Total = 196



Download csv file of statistical distribution of contacts