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 :C5_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 C5_S1
Complex: NAP_A_3(4JB1) / Model_2(4JB1/A) = [8.6] Download2177.3128.00MFKNRFFNTMQIQNQVQLKPFNTLSLDVTASHYTKVKSIEDIEEALAFAKEHELNVLVLSGGSNMLLPQQINALVIHLDIQGIDVLSEDQDFIRVKVGAGQVWHDFVLYTTKQNWFGLQNLALIPGLVGASPVQNIGAYGVEVGEFIESVQVYDRLLKQTGSISAADCHFSYRHSIFKDEPARYIITHVTFKLLKQANLKLNYGDLKQAVGDNLTAENLQNQVIHIRQSKLPDPKEYPNVGSFFKNPIVNTQEFERLIAQFSTIPHYPQANGNVKIAAGWLIDQAGWKGKQLGVVGMFHKQALVLVNYANASLADVKKTYQAVQHDVEQRFQIMLEPEPVLYNNLGLIENHTE
Consensus
[pKd Mean = 8.60]		-2177
(s=0)		28
(s=0)		MFKNRFFNTMQIQNQVQLKPFNTLSLDVTASHYTKVKSIEDIEEALAFAKEHELNVLVLSGGSNMLLPQQINALVIHLDIQGIDVLSEDQDFIRVKVGAGQVWHDFVLYTTKQNWFGLQNLALIPGLVGASPVQNIGAYGVEVGEFIESVQVYDRLLKQTGSISAADCHFSYRHSIFKDEPARYIITHVTFKLLKQANLKLNYGDLKQAVGDNLTAENLQNQVIHIRQSKLPDPKEYPNVGSFFKNPIVNTQEFERLIAQFSTIPHYPQANGNVKIAAGWLIDQAGWKGKQLGVVGMFHKQALVLVNYANASLADVKKTYQAVQHDVEQRFQIMLEPEPVLYNNLGLIENHTE



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]
SER63O211[O], 1[C],
SER63C111[O],
SER63OG111[O],
ASN64ND2211[O], 1[N],
ASN64CB111[O],
ASN64OD1311[C], 1[N], 1[O],
ASN64CA111[O],
ASN64CG311[N], 1[O], 1[C],
ASN120C211[O], 1[C],
ASN120O714[C], 1[N], 2[O],
LEU121CD2211[C], 1[O],
LEU121CA111[O],
ALA122O211[O], 1[C],
LEU123O212[C],
ILE124CB811[O], 1[N], 6[C],
ILE124N111[C],
ILE124CD11413[O], 2[N], 9[C],
ILE124CA615[C], 1[O],
ILE124CG2916[C], 1[O], 2[N],
ILE124CG11212[N], 2[O], 8[C],
PRO125CD711[O], 6[C],
PRO125CG514[C], 1[O],
PRO125N211[C], 1[O],
ILE136CB111[N],
ILE136CG2111[N],
ILE136C211[N], 1[O],
ILE136CA111[N],
GLY137C2218[O], 2[N], 1[P], 11[C],
GLY137CA1611[P], 7[C], 2[N], 6[O],
GLY137O2211[P], 11[C], 8[O], 2[N],
GLY137N1012[N], 3[O], 5[C],
ALA138CA2211[P], 11[C], 8[O], 2[N],
ALA138C1811[P], 7[C], 1[N], 9[O],
ALA138N2011[P], 10[C], 2[N], 7[O],
ALA138CB2217[O], 2[N], 2[P], 11[C],
ALA138O1216[C], 1[P], 1[N], 4[O],
TYR139CD12713[N], 11[O], 3[P], 10[C],
TYR139N30111[O], 4[N], 12[C], 3[P],
TYR139CD21912[P], 8[C], 8[O], 1[N],
TYR139C2415[N], 8[O], 10[C], 1[P],
TYR139CE126110[C], 2[P], 11[O], 3[N],
TYR139CE22212[P], 10[C], 9[O], 1[N],
TYR139CZ2212[P], 8[C], 11[O], 1[N],
TYR139CA2919[O], 6[N], 2[P], 12[C],
TYR139CG1816[C], 2[P], 8[O], 2[N],
TYR139O1113[N], 3[O], 5[C],
TYR139CB1316[C], 1[N], 6[O],
GLY140CA1514[N], 4[O], 1[P], 6[C],
GLY140C312[O], 1[N],
GLY140N24111[C], 1[P], 7[O], 5[N],
GLY140O212[O],
VAL141C111[O],
VAL141N311[C], 2[O],
VAL141CA111[O],
VAL141O814[C], 4[O],
GLU142CD111[O],
GLU142OE2111[O],
GLU142CG111[O],
TYR172CD1615[O], 1[P],
TYR172CZ1111[P], 3[C], 6[O], 1[N],
TYR172CG311[P], 2[O],
TYR172CD2312[O], 1[P],
TYR172CB111[O],
TYR172CE11112[C], 1[P], 7[O], 1[N],
TYR172CE2514[O], 1[P],
ARG173CG712[C], 4[O], 1[N],
ARG173NE1818[C], 1[P], 2[N], 7[O],
ARG173CZ2019[C], 1[P], 8[O], 2[N],
ARG173CD813[C], 1[N], 4[O],
ARG173CB111[N],
LEU201O111[N],
LEU201C111[N],
ASN202O1015[N], 5[C],
ASN202CA613[N], 3[C],
ASN202CB814[C], 4[N],
ASN202CG513[C], 2[N],
ASN202ND2512[N], 3[C],
ASN202N311[C], 2[N],
ASN202C914[N], 5[C],
ASN202OD1311[C], 2[N],
TYR203CE240115[C], 3[P], 6[N], 16[O],
TYR203CD12515[N], 8[O], 10[C], 2[P],
TYR203O613[C], 1[O], 2[N],
TYR203N1111[O], 5[N], 5[C],
TYR203CE12912[P], 12[C], 5[N], 10[O],
TYR203CD23815[N], 15[O], 15[C], 3[P],
TYR203CB21110[C], 1[P], 5[O], 5[N],
TYR203CG3112[P], 13[C], 5[N], 11[O],
TYR203C914[C], 1[O], 4[N],
TYR203CA1315[N], 2[O], 5[C], 1[P],
TYR203CZ37114[O], 5[N], 3[P], 15[C],
GLY204N914[C], 4[N], 1[O],
GLY204C312[N], 1[O],
GLY204CA612[N], 1[O], 3[C],
ASP205CA111[O],
ASP205CB411[P], 3[O],
ASP205OD1312[O], 1[P],
ASP205OD2912[P], 2[C], 5[O],
ASP205CG514[O], 1[P],
ASP205N411[O], 2[N], 1[C],
LEU206N111[O],
VAL223CG1311[O], 2[C],
ILE226O111[O],
ILE226CB211[C], 1[O],
ILE226CG2814[O], 2[P], 2[C],
ILE226C111[O],
ARG227N312[C], 1[O],
ARG227O212[C],
ARG227CZ20111[C], 1[P], 6[O], 2[N],
ARG227C111[C],
ARG227CG1313[O], 1[N], 8[C], 1[P],
ARG227CD1112[O], 1[N], 8[C],
ARG227NE1413[O], 1[N], 10[C],
ARG227CA613[C], 3[O],
ARG227CB712[O], 1[N], 4[C],
LYS230NZ1712[P], 7[C], 8[O],
LYS230CD1214[C], 2[P], 6[O],
LYS230C111[O],
LYS230CE1412[P], 5[C], 7[O],
LYS230O212[O],
LYS230CA111[O],
LYS230CG1116[O], 3[C], 2[P],
LYS230CB312[O], 1[P],
LEU231CD21816[O], 1[N], 10[C], 1[P],
LEU231C111[C],
LEU231CA313[C],
LEU231N111[C],
LEU231CB714[C], 1[N], 2[O],
LEU231CG1411[P], 7[C], 5[O], 1[N],
LEU231CD11715[O], 1[N], 1[P], 10[C],
ASN239OD1411[O], 3[C],
VAL240O715[C], 1[N], 1[O],
VAL240CG2111[O],
VAL240CA211[C], 1[O],
VAL240C614[C], 1[O], 1[N],
VAL240CB111[O],
VAL240N111[O],
GLY241O711[O], 1[N], 5[C],
GLY241N715[C], 1[N], 1[O],
GLY241CA912[N], 1[O], 6[C],
GLY241C911[O], 2[N], 6[C],
SER242OG24112[C], 1[P], 2[N], 9[O],
SER242N1318[C], 3[O], 2[N],
SER242CA1313[O], 2[N], 8[C],
SER242C912[N], 1[O], 6[C],
SER242CB1911[P], 9[C], 2[N], 7[O],
SER242O812[N], 1[O], 5[C],
PHE243CA311[O], 1[N], 1[C],
PHE243C311[C], 1[N], 1[O],
PHE243O211[N], 1[O],
PHE243N611[O], 1[N], 4[C],
PHE244C311[O], 1[N], 1[C],
PHE244CA111[N],
PHE244O811[N], 4[O], 3[C],
PHE244N311[N], 1[O], 1[C],
LYS245O111[O],
LYS245C313[O],
LYS245CG111[N],
LYS245N111[N],
LYS245CB111[N],
LYS245CA312[O], 1[N],
ASN246CA714[O], 2[C], 1[P],
ASN246C313[O],
ASN246ND22512[P], 11[C], 10[O], 2[N],
ASN246N815[O], 2[C], 1[P],
ASN246O212[O],
ASN246OD11812[N], 9[O], 1[P], 6[C],
ASN246CB1311[N], 7[O], 1[P], 4[C],
ASN246CG1911[P], 8[C], 2[N], 8[O],
PRO247CD111[O],
PRO247N111[O],
PRO265CG312[O], 1[C],
PRO265CB614[C], 2[O],
PRO265O412[O], 2[C],
PRO265CA211[O], 1[C],
PRO265C412[O], 2[C],
HIS266N211[O], 1[C],
HIS266CA311[N], 1[O], 1[C],
HIS266C713[N], 1[O], 3[C],
HIS266O713[C], 1[O], 3[N],
TYR267CE12412[P], 10[C], 7[O], 5[N],
TYR267CE22111[P], 10[C], 5[N], 5[O],
TYR267CG2111[P], 10[C], 5[O], 5[N],
TYR267N913[N], 1[O], 5[C],
TYR267CD22019[C], 1[P], 5[N], 5[O],
TYR267CD12317[O], 5[N], 1[P], 10[C],
TYR267CB1714[O], 5[N], 1[P], 7[C],
TYR267C412[N], 2[C],
TYR267O312[N], 1[C],
TYR267CZ25110[C], 2[P], 8[O], 5[N],
TYR267CA915[C], 1[O], 3[N],
PRO268O211[C], 1[N],
PRO268CD111[C],
PRO268N312[N], 1[C],
GLN269CD111[C],
GLN269OE1111[C],
GLN269NE2412[N], 1[O], 1[C],
LYS275NZ27112[C], 1[P], 9[O], 5[N],
LYS275O1216[C], 4[O], 2[N],
LYS275CD1816[O], 3[N], 1[P], 8[C],
LYS275C612[C], 3[O], 1[N],
LYS275CE2211[P], 9[C], 5[N], 7[O],
LYS275CB911[P], 4[C], 3[O], 1[N],
LYS275CG1611[P], 6[C], 6[O], 3[N],
LYS275CA311[N], 2[O],
ILE276C914[C], 4[O], 1[N],
ILE276N111[O],
ILE276CA111[O],
ILE276O1111[P], 4[C], 5[O], 1[N],
ILE276CG2111[O],
ILE276CB111[O],
ALA277CB1817[O], 2[N], 2[P], 7[C],
ALA277O612[O], 4[C],
ALA277CA1516[C], 1[P], 2[N], 6[O],
ALA277C815[C], 3[O],
ALA277N1013[O], 2[N], 5[C],
ALA278CA312[C], 1[O],
ALA278N915[C], 4[O],
ALA278C411[O], 3[C],
ALA278O111[O],
ALA278CB311[O], 2[C],
GLY279CA713[C], 4[O],
GLY279C413[C], 1[O],
GLY279N814[C], 4[O],
TRP280N513[C], 2[O],
TRP280CA312[C], 1[O],
TRP280CB412[C], 2[O],
GLN301NE2511[P], 4[O],
GLN301CD715[O], 2[P],
GLN301CG411[C], 1[P], 2[O],
GLN301CA311[P], 2[O],
GLN301C111[O],
GLN301OE11317[O], 2[P], 4[C],
GLN301CB312[O], 1[P],
ALA302N111[O],
LEU303C111[O],
LEU303CD13013[P], 13[C], 2[N], 12[O],
LEU303CG1111[N], 4[O], 5[C], 1[P],
LEU303O111[O],
LEU303CD2312[O], 1[C],
LEU303CB1015[C], 1[P], 1[N], 3[O],
LEU303CA111[O],
LEU303N111[O],
VAL304CG2715[C], 2[O],
VAL304N111[O],
VAL304CB111[C],
VAL304CG1111[C],
GLU338CD812[N], 2[O], 4[C],
GLU338OE21117[C], 2[O], 2[N],
GLU338CG513[C], 1[O], 1[N],
GLU338N111[N],
GLU338CB411[N], 1[O], 2[C],
GLU338C211[N], 1[O],
GLU338OE11313[O], 2[N], 8[C],
GLU338CA311[C], 1[N], 1[O],
PRO339N111[O],
PRO339CG111[O],
PRO339CD211[O], 1[N],
Total = 258



Download csv file of statistical distribution of contacts