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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAP_B_4(3NX4) / Model_43(3NX4/B) = [10.1] Download1800.4124.98MIKENFKRSVSRMNAFRSFQVIKEPVFHTAISDLPFTELAENEVLVKIAYSDVNYKDALAMSESGQVIRTYPMTPGIDLSGTVVQSNNPRFSKEDLVLATGFGLGVTHPGGYSQYQKVPGDWLVPLPKNMTLRQAMILGTAGFTAMLCVNALIRQGMTSDKKVVVTGASGGVGSTAIALLHKLGFQSIIAFSRKEESVTWLKSLGALQVVRPDEFLPETTKALGKQQIDYVIDTVGGEQLSSLLPLISYNGAVALCGNAGGIKLNATVLPFILRNIQLIGIDSVNVPIDQRLSLWQQMADLQIADELVVQEITLDQLPETASKLLAGTHQGRTLVNVGDHK
Complex: NDP_A_5(1O8C) / Model_2(1O8C/A) = [9.3] Download1715.3421.76MIKENFKRSVSRMNAFRSFQVIKEPVFHTAISDLPFTELAENEVLVKIAYSDVNYKDALAMSESGQVIRTYPMTPGIDLSGTVVQSNNPRFSKEDLVLATGFGLGVTHPGGYSQYQKVPGDWLVPLPKNMTLRQAMILGTAGFTAMLCVNALIRQGMTSDKKVVVTGASGGVGSTAIALLHKLGFQSIIAFSRKEESVTWLKSLGALQVVRPDEFLPETTKALGKQQIDYVIDTVGGEQLSSLLPLISYNGAVALCGNAGGIKLNATVLPFILRNIQLIGIDSVNVPIDQRLSLWQQMADLQIADELVVQEITLDQLPETASKLLAGTHQGRTLVNVGDHK
Consensus
[pKd Mean = 9.70]		-1757
(s=42)		23
(s=1)		MIKENFKRSVSRMNAFRSFQVIKEPVFHTAISDLPFTELAENEVLVKIAYSDVNYKDALAMSESGQVIRTYPMTPGIDLSGTVVQSNNPRFSKEDLVLATGFGLGVTHPGGYSQYQKVPGDWLVPLPKNMTLRQAMILGTAGFTAMLCVNALIRQGMTSDKKVVVTGASGGVGSTAIALLHKLGFQSIIAFSRKEESVTWLKSLGALQVVRPDEFLPETTKALGKQQIDYVIDTVGGEQLSSLLPLISYNGAVALCGNAGGIKLNATVLPFILRNIQLIGIDSVNVPIDQRLSLWQQMADLQIADELVVQEITLDQLPETASKLLAGTHQGRTLVNVGDHK



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]
VAL53CG1424[O],
ASN54CG24211[C], 2[N], 9[O], 2[P],
ASN54ND2926[C], 2[O], 1[P],
ASN54OD12923[P], 11[O], 13[C], 2[N],
TYR55CE243218[O], 4[P], 5[N], 16[C],
TYR55CD159224[O], 4[P], 25[C], 6[N],
TYR55CD24923[N], 20[C], 22[O], 4[P],
TYR55CE161224[O], 4[P], 6[N], 27[C],
TYR55CG5425[N], 23[C], 4[P], 22[O],
TYR55CZ5224[P], 20[O], 23[C], 5[N],
LYS56NZ23215[C], 4[N], 4[O],
LYS56CG23216[C], 3[N], 4[O],
LYS56CE2524[O], 4[N], 17[C],
LYS56CD2223[O], 4[N], 15[C],
ASP57OD2222[O],
LEU59CD1824[C], 4[O],
LEU59CD2323[O],
LEU59CG824[O], 4[C],
ILE77CG1626[C],
ILE77CD12225[O], 4[N], 13[C],
ASP78OD1121[C],
ASP78OD2121[C],
THR140OG11621[O], 3[N], 12[C],
THR140CG232216[C], 4[N], 2[P], 10[O],
PHE143CE2521[O], 1[N], 3[C],
PHE143CD2921[O], 1[N], 7[C],
PHE143CG323[C],
THR144OG13024[N], 17[C], 9[O],
THR144CG23624[N], 21[C], 1[P], 10[O],
LEU147CD1922[O], 1[N], 6[C],
CYS148SG622[O], 3[C], 1[N],
THR166CG2121[N],
THR166OG11022[N], 6[C], 2[O],
SER169OG3724[P], 17[O], 2[N], 14[C],
VAL172CG25424[P], 21[O], 3[N], 26[C],
VAL172CG137211[O], 2[P], 2[N], 22[C],
SER174OG727[O],
THR175OG1222[O],
ILE189CG2322[O], 1[P],
PHE191CD1521[P], 4[O],
PHE191CG521[P], 4[O],
PHE191CD2421[P], 3[O],
PHE191CZ121[O],
PHE191CE2222[O],
PHE191CE1421[P], 3[O],
SER192OG32211[O], 2[P], 6[N], 13[C],
ARG193CG3026[N], 12[C], 2[P], 10[O],
ARG193CD3122[P], 10[O], 13[C], 6[N],
ARG193CZ2922[P], 9[O], 12[C], 6[N],
ARG193NE3222[P], 11[O], 6[N], 13[C],
LYS194CE922[N], 2[C], 4[O], 1[P],
LYS194CG1124[C], 1[N], 5[O], 1[P],
LYS194NZ222[O],
LYS194CD621[C], 4[O], 1[P],
GLU196CD825[O], 1[P], 2[C],
GLU196OE1524[O], 1[P],
GLU196CG822[C], 5[O], 1[P],
GLU196OE2821[P], 5[O], 2[C],
SER197OG524[O], 1[P],
LEU201CD11022[P], 8[O],
LEU201CD2624[O], 2[P],
LEU201CG422[O], 2[P],
VAL209CG1121[O],
PRO212CD1222[P], 6[O], 2[N], 2[C],
PRO212CG2126[C], 5[N], 8[O], 2[P],
THR234OG16826[N], 29[C], 27[O], 6[P],
THR234CG24722[N], 24[C], 4[P], 17[O],
VAL235CG24029[O], 1[P], 20[C], 10[N],
VAL235CG139220[C], 10[N], 8[O], 1[P],
GLN239OE1722[C], 4[N], 1[O],
GLN239CD723[N], 4[C],
GLN239NE2523[C], 2[N],
GLN239CG1126[N], 5[C],
LEU255CG121[O],
CYS256SG40222[C], 4[N], 2[P], 12[O],
ASN258CG2227[O], 12[C], 3[N],
ASN258ND21926[O], 3[N], 10[C],
ASN258OD129216[C], 3[N], 10[O],
ILE262CG2121[O],
ILE281CG1221[C], 1[O],
ILE281CD1121[O],
ILE281CG21422[O], 3[N], 9[C],
ASP282CG1222[O], 2[N], 8[C],
ASP282OD11429[C], 3[N], 2[O],
ASP282OD2925[C], 2[N], 2[O],
SER283OG2324[O], 15[C], 4[N],
VAL284CG21522[O], 10[C], 3[N],
VAL284CG1521[O], 2[N], 2[C],
ASN285ND2121[O],
VAL286CG2521[N], 2[C], 2[O],
LEU324CG2223[C], 15[O], 4[P],
LEU324CD22324[C], 4[P], 15[O],
LEU324CD12424[P], 14[O], 6[C],
LEU325CD1222[N],
HIS329CG721[P], 5[O], 1[C],
HIS329CE1922[P], 7[O],
HIS329CD2421[P], 3[O],
HIS329NE2321[P], 2[O],
HIS329ND11328[O], 2[P], 3[C],
GLN330OE1222[O],
GLN330CG424[O],
ARG332CZ826[O], 2[P],
ARG332CG726[O], 1[P],
ARG332CD1228[O], 4[P],
ARG332NE826[O], 2[P],
THR333OG1222[O],
Total = 106



Download csv file of statistical distribution of contacts