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: NAP_A_3(2J8Z) / Model_1(2J8Z/A) = [10.9] Download1226.2028.70MRAISIKHPGSVDVLEQIEVPVPKPKQGELLIKVHTAAVNRTDIMKRESVSLKPPYPILGVEVAGEVVENKSDISTFTPGTKVYGLVNLGGYAEYAVMPADRAILLPDTLDYVSAAGISEVFLTAYQTLYWLGKLQEGETVLIHAGASGVGTAAIQLARQLSHAKIIVTAGSEEKLAFCKELGADELINYKKQDFQEEVRKITEGRGVDVILDFIGASYWEKNLASIAVDGRWVLIGMLGGTIVPEIDLGVLIGKRVQLLGTLLTPRSDQYKAELAQTFMQKAGPFLENGKIRPIIDRTFQFSAVKQAHEYMEANKNIGKIILKITE
Consensus
[pKd Mean = 10.90]		-1226
(s=0)		28
(s=0)		MRAISIKHPGSVDVLEQIEVPVPKPKQGELLIKVHTAAVNRTDIMKRESVSLKPPYPILGVEVAGEVVENKSDISTFTPGTKVYGLVNLGGYAEYAVMPADRAILLPDTLDYVSAAGISEVFLTAYQTLYWLGKLQEGETVLIHAGASGVGTAAIQLARQLSHAKIIVTAGSEEKLAFCKELGADELINYKKQDFQEEVRKITEGRGVDVILDFIGASYWEKNLASIAVDGRWVLIGMLGGTIVPEIDLGVLIGKRVQLLGTLLTPRSDQYKAELAQTFMQKAGPFLENGKIRPIIDRTFQFSAVKQAHEYMEANKNIGKIILKITE



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]
VAL39CG1712[P], 5[O],
ASN40OD12018[O], 2[P], 1[N], 9[C],
ASN40ND2811[P], 4[O], 3[C],
ASN40CG1617[C], 6[O], 1[N], 2[P],
ARG41CD32114[C], 3[N], 2[P], 13[O],
ARG41CZ31112[O], 2[P], 4[N], 13[C],
ARG41CG31112[O], 2[P], 3[N], 14[C],
ARG41NE3012[P], 2[N], 13[O], 13[C],
THR42CG2811[N], 1[O], 6[C],
THR42OG120111[C], 2[N], 1[P], 6[O],
ASP43OD1111[O],
ASP43OD2111[O],
ASP43CG111[O],
ILE44CG1312[O], 1[P],
ILE44CG2111[O],
ILE44CD1812[C], 1[P], 5[O],
MET45CE412[C], 2[O],
MET45CG412[C], 2[O],
MET45SD714[C], 2[O], 1[N],
SER51OG111[O],
VAL61CG2413[C], 1[O],
VAL61CG1313[C],
GLU62OE2311[P], 2[O],
LEU86CD1212[C],
GLU120CG1518[C], 1[N], 1[P], 5[O],
GLU120CD1514[O], 1[P], 2[N], 8[C],
GLU120OE21711[P], 2[N], 6[O], 8[C],
GLU120OE1816[C], 1[O], 1[N],
VAL121CG21013[C], 2[P], 5[O],
VAL121CG1913[C], 5[O], 1[P],
THR124OG11312[N], 4[O], 7[C],
THR124CG216110[C], 4[O], 2[N],
GLN127NE2511[O], 1[N], 3[C],
GLN127CG211[C], 1[O],
GLN127CD511[N], 1[O], 3[C],
GLN127OE1711[O], 1[N], 5[C],
THR128OG11016[C], 2[O], 2[N],
THR128CG2111[O],
LEU132CD2311[O], 1[N], 1[C],
HIS144CD2111[C],
HIS144CE1111[C],
HIS144CG312[N], 1[C],
HIS144ND1312[N], 1[C],
SER148OG2812[P], 2[N], 13[O], 11[C],
VAL150CG226112[C], 2[N], 2[P], 10[O],
VAL150CG12011[P], 1[N], 7[O], 11[C],
THR152OG1212[O],
THR169OG1913[C], 3[N], 1[P], 2[O],
THR169CG2211[O], 1[C],
SER172OG511[P], 4[O],
LYS175NZ2019[O], 2[P], 2[N], 7[C],
LYS175CE1415[C], 1[P], 1[N], 7[O],
LYS175CD1411[N], 1[P], 7[O], 5[C],
LYS175CG913[C], 5[O], 1[P],
LEU176CG111[O],
LEU176CD2311[P], 2[O],
CYS179SG111[O],
ASN189CG111[O],
ASN189ND2111[O],
ASN189OD1413[O], 1[P],
TYR190CG1515[C], 1[P], 5[N], 4[O],
TYR190CE11717[C], 4[O], 1[P], 5[N],
TYR190CD21815[N], 1[P], 5[O], 7[C],
TYR190CZ2015[N], 1[P], 5[O], 9[C],
TYR190CD11616[C], 4[O], 1[P], 5[N],
TYR190CE22119[C], 6[O], 1[P], 5[N],
LYS191CD312[O], 1[P],
LYS191CG713[O], 2[N], 1[P], 1[C],
LYS191CE1215[C], 4[O], 1[P], 2[N],
LYS191NZ511[P], 4[O],
PHE195CE2211[C], 1[N],
PHE195CD2111[C],
ASP213OD1111[C],
PHE214CD124113[C], 2[N], 1[P], 8[O],
PHE214CZ21111[C], 2[N], 1[P], 7[O],
PHE214CD222111[C], 8[O], 2[N], 1[P],
PHE214CG2519[O], 1[P], 2[N], 13[C],
PHE214CE22211[P], 2[N], 8[O], 11[C],
PHE214CE122112[C], 7[O], 2[N], 1[P],
ILE215CD125113[C], 6[O], 1[P], 5[N],
ILE215CG21216[C], 1[O], 5[N],
ILE215CG119110[C], 4[O], 5[N],
SER218OG814[N], 4[C],
TYR219CG714[C], 3[N],
TYR219CE21416[C], 3[O], 5[N],
TYR219CZ1513[O], 5[N], 1[P], 6[C],
TYR219CD1714[C], 3[N],
TYR219CE1914[C], 5[N],
TYR219CD2914[C], 5[N],
ILE236CG118111[C], 5[O], 2[N],
ILE236CD118111[C], 2[N], 5[O],
ILE236CG21117[C], 2[O], 2[N],
MET238CG111[O],
LEU239CG3118[O], 2[P], 6[N], 15[C],
LEU239CD233115[C], 6[N], 2[P], 10[O],
LEU239CD137115[C], 6[N], 3[P], 13[O],
THR262CG2611[O], 1[N], 4[C],
THR262OG1411[O], 1[N], 2[C],
LEU263CD21012[N], 2[O], 6[C],
LEU263CD1311[C], 1[N], 1[O],
LEU263CG611[N], 1[O], 4[C],
LEU264CD1411[O], 3[C],
LEU264CG611[O], 1[N], 4[C],
LEU264CD2811[N], 1[O], 6[C],
THR265OG1916[C], 2[N], 1[O],
THR265CG2411[N], 1[O], 2[C],
PRO266CG311[C], 1[N], 1[O],
PRO266CD511[N], 1[O], 3[C],
ARG267CG111[O],
MET312CE1412[P], 8[O], 4[C],
MET312CG1512[P], 9[O], 4[C],
MET312SD1418[O], 2[P], 4[C],
ASN315CG2518[O], 2[P], 5[N], 10[C],
ASN315ND224110[C], 8[O], 1[P], 5[N],
ASN315OD12519[C], 4[N], 2[P], 10[O],
ASN317OD11815[C], 3[P], 10[O],
ASN317CG1512[P], 9[O], 4[C],
ASN317ND218110[O], 2[P], 6[C],
ILE318CG1212[O],
LYS320NZ411[P], 3[O],
LYS320CD715[O], 2[P],
LYS320CG413[O], 1[P],
LYS320CE612[P], 4[O],
ILE321CG1312[O], 1[P],
ILE321CD1511[P], 4[O],
Total = 125



Download csv file of statistical distribution of contacts