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 :C8_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C8_S1
Complex: NAP_B_4(1PNO) / Model_22(1PNO/B) = [13.6] Download1485.7524.77MEFIQANANWLYLVGAILFILTLRGLSGPKTAIQGNRYGMIAMAIAVVTTFFVANNPVIWMIGGAMVLGAIVGIARARTVPMTQMPETVALMHSLVGLAAVLIAVAAILHNNQLTALFAQNEAALTAAGVQHAHMSKVHLFELFVGCFVGAITFTASVFAYGKLAAKKWAKTISGAWVKPVQALIFVAMLACGFYFFTTGNMTAFWAMTALALAFGWVWIAPVGGGDMPVVVSLLNSFSGWAAAGIGFTLENNMLIVAGSLVGSSGAILSYIMCKAMNRSIINVLFGGAMGGAAVSTAAKGEQVQRNYRSGSADDAGFLMSNADSVVIVPGYGMAQGRAQNAVKELCEILKEQGVRVRFAIHPVAGRMPGHMNVLLAEADVAYEDILEMDEINSDFPATDVVLVIGANDVVNPAAKDDPGSPIYGMPILEAHKARTIMVIKRSMATGYAGLDNDLFYNEKTMMIFGDAKKVVEDMTKAINGTGH
Complex: NDP_F_6(1U2G) / Model_7(1U2G/C) = [13.1] Download1591.0424.58MEFIQANANWLYLVGAILFILTLRGLSGPKTAIQGNRYGMIAMAIAVVTTFFVANNPVIWMIGGAMVLGAIVGIARARTVPMTQMPETVALMHSLVGLAAVLIAVAAILHNNQLTALFAQNEAALTAAGVQHAHMSKVHLFELFVGCFVGAITFTASVFAYGKLAAKKWAKTISGAWVKPVQALIFVAMLACGFYFFTTGNMTAFWAMTALALAFGWVWIAPVGGGDMPVVVSLLNSFSGWAAAGIGFTLENNMLIVAGSLVGSSGAILSYIMCKAMNRSIINVLFGGAMGGAAVSTAAKGEQVQRNYRSGSADDAGFLMSNADSVVIVPGYGMAQGRAQNAVKELCEILKEQGVRVRFAIHPVAGRMPGHMNVLLAEADVAYEDILEMDEINSDFPATDVVLVIGANDVVNPAAKDDPGSPIYGMPILEAHKARTIMVIKRSMATGYAGLDNDLFYNEKTMMIFGDAKKVVEDMTKAINGTGH
Complex: TXP_C_4(2OOR) / Model_13(2OOR/C) = [12.6] Download1303.4923.03MEFIQANANWLYLVGAILFILTLRGLSGPKTAIQGNRYGMIAMAIAVVTTFFVANNPVIWMIGGAMVLGAIVGIARARTVPMTQMPETVALMHSLVGLAAVLIAVAAILHNNQLTALFAQNEAALTAAGVQHAHMSKVHLFELFVGCFVGAITFTASVFAYGKLAAKKWAKTISGAWVKPVQALIFVAMLACGFYFFTTGNMTAFWAMTALALAFGWVWIAPVGGGDMPVVVSLLNSFSGWAAAGIGFTLENNMLIVAGSLVGSSGAILSYIMCKAMNRSIINVLFGGAMGGAAVSTAAKGEQVQRNYRSGSADDAGFLMSNADSVVIVPGYGMAQGRAQNAVKELCEILKEQGVRVRFAIHPVAGRMPGHMNVLLAEADVAYEDILEMDEINSDFPATDVVLVIGANDVVNPAAKDDPGSPIYGMPILEAHKARTIMVIKRSMATGYAGLDNDLFYNEKTMMIFGDAKKVVEDMTKAINGTGH
Consensus
[pKd Mean = 13.10]		-1460
(s=118)		24
(s=0)		MEFIQANANWLYLVGAILFILTLRGLSGPKTAIQGNRYGMIAMAIAVVTTFFVANNPVIWMIGGAMVLGAIVGIARARTVPMTQMPETVALMHSLVGLAAVLIAVAAILHNNQLTALFAQNEAALTAAGVQHAHMSKVHLFELFVGCFVGAITFTASVFAYGKLAAKKWAKTISGAWVKPVQALIFVAMLACGFYFFTTGNMTAFWAMTALALAFGWVWIAPVGGGDMPVVVSLLNSFSGWAAAGIGFTLENNMLIVAGSLVGSSGAILSYIMCKAMNRSIINVLFGGAMGGAAVSTAAKGEQVQRNYRSGSADDAGFLMSNADSVVIVPGYGMAQGRAQNAVKELCEILKEQGVRVRFAIHPVAGRMPGHMNVLLAEADVAYEDILEMDEINSDFPATDVVLVIGANDVVNPAAKDDPGSPIYGMPILEAHKARTIMVIKRSMATGYAGLDNDLFYNEKTMMIFGDAKKVVEDMTKAINGTGH



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]
PRO330O434[O],
PRO330C333[O],
GLY331C1833[P], 3[C], 12[O],
GLY331N833[P], 5[O],
GLY331O431[P], 3[O],
GLY331CA18311[O], 3[P], 3[C],
TYR332O1839[C], 6[N], 3[O],
TYR332CD1434[O],
TYR332CG3136[P], 10[C], 15[O],
TYR332CD236315[C], 3[P], 6[N], 12[O],
TYR332CB3936[P], 9[C], 22[O],
TYR332N3436[P], 8[C], 18[O],
TYR332C36318[C], 6[N], 12[O],
TYR332CA31317[O], 6[P], 7[C],
TYR332CE21234[O], 4[N], 4[C],
TYR332CZ231[N], 1[C],
GLY333N5231[P], 29[C], 10[N], 12[O],
GLY333O3633[O], 15[N], 18[C],
GLY333C3733[O], 15[N], 19[C],
GLY333CA4833[O], 15[N], 30[C],
MET334N2533[O], 10[N], 12[C],
GLN336CB24312[C], 12[N],
GLN336NE2535[N],
GLN336CA1336[N], 7[C],
GLN336CD1438[C], 6[N],
GLN336CG24312[N], 12[C],
GLN336OE1633[N], 3[C],
GLN336O532[C], 3[N],
GLN336N1034[C], 6[N],
GLN336C1436[C], 8[N],
GLY337CA1136[N], 5[C],
GLY337C333[N],
GLY337N1739[N], 8[C],
PRO363O933[C], 3[N], 3[O],
PRO363C532[C], 3[N],
VAL364O59325[C], 3[P], 6[N], 16[O],
VAL364N733[N], 1[O], 3[C],
VAL364CA31315[C], 6[N], 5[O],
VAL364CB42322[C], 6[N], 7[O],
VAL364CG23936[N], 7[O], 17[C],
VAL364C4836[N], 13[O], 3[P], 19[C],
VAL364CG125313[C], 5[N], 4[O],
ALA365O2237[O], 3[N], 11[C],
ALA365CA32311[O], 3[N], 12[C], 3[P],
ALA365CB1732[C], 3[P], 8[O], 2[N],
ALA365C3133[N], 10[O], 3[P], 13[C],
ALA365N2633[N], 6[O], 12[C], 3[P],
GLY366CA33311[O], 3[N], 3[P], 13[C],
GLY366C48314[O], 6[N], 3[P], 21[C],
GLY366O61317[O], 6[N], 28[C], 4[P],
GLY366N3433[P], 11[C], 3[N], 13[O],
ARG367CA3335[O], 6[N], 19[C],
ARG367C27318[C], 6[N], 3[O],
ARG367CB29318[C], 4[O], 6[N],
ARG367NE29316[C], 6[O], 3[N],
ARG367CD3534[O], 3[N], 24[C],
ARG367N31317[C], 6[O], 6[N],
ARG367CG23315[C], 2[O], 3[N],
ARG367O2633[O], 5[N], 18[C],
ARG367CZ4033[N], 15[O], 14[C], 3[P],
MET368N2133[O], 3[N], 15[C],
MET368C1633[N], 3[O], 10[C],
MET368CB933[N], 3[O], 3[C],
MET368CG531[C], 3[O], 1[N],
MET368O1433[O], 3[N], 8[C],
MET368CA1833[N], 3[O], 12[C],
PRO369CG933[C], 3[N], 3[O],
PRO369O131[O],
PRO369CB533[O], 2[C],
PRO369CA933[C], 3[N], 3[O],
PRO369N1337[C], 3[O], 3[N],
PRO369CD1337[C], 3[O], 3[N],
PRO369C633[O], 2[N], 1[C],
GLY370N231[N], 1[O],
HIS371N131[N],
HIS371CB433[N], 1[C],
HIS371ND1232[N],
MET372SD333[O],
MET372CE131[O],
GLY406CA3438[N], 4[O], 22[C],
GLY406C4535[P], 17[C], 17[O], 6[N],
GLY406N18312[C], 3[O], 3[N],
GLY406O5436[N], 22[O], 20[C], 6[P],
ALA407O28316[O], 8[C], 4[P],
ALA407C3738[C], 6[P], 22[O],
ALA407CA3437[C], 6[P], 20[O],
ALA407N2934[P], 10[C], 15[O],
ALA407CB19313[O], 2[C], 3[P],
ASN408CA3238[C], 6[P], 17[O],
ASN408CG24312[O], 9[C], 3[P],
ASN408C2336[P], 2[C], 14[O],
ASN408OD1737[O],
ASN408ND228314[O], 3[P], 11[C],
ASN408O736[O], 1[P],
ASN408N4136[P], 8[C], 26[O],
ASN408CB39322[O], 11[C], 6[P],
ASP409CB46323[O], 9[C], 6[P],
ASP409C2034[P], 3[C], 10[O],
ASP409N42322[O], 9[C], 6[P],
ASP409CA34317[O], 6[P], 6[C],
ASP409OD12933[P], 4[C], 18[O],
ASP409CG4236[P], 8[C], 21[O],
ASP409OD248323[O], 10[C], 6[P],
ASP409O13310[O], 1[C],
VAL410C333[O],
VAL410CG11834[C], 3[P], 10[O],
VAL410CB1932[C], 3[P], 12[O],
VAL410CA1439[O], 1[C], 3[P],
VAL410CG225313[O], 5[C], 3[P],
VAL410N33316[O], 6[C], 6[P],
VAL411N333[O],
ILE423CG2232[O],
ILE423CD1131[O],
ILE423CG1131[O],
MET426CE1033[C], 4[O],
MET426CG332[O],
MET426SD1234[O], 4[C],
ILE440C1332[O], 4[N], 7[C],
ILE440CB532[N], 3[C],
ILE440CA533[C], 2[N],
ILE440O2539[N], 5[O], 11[C],
ILE440CG2933[C], 6[N],
LYS441NZ30312[C], 3[P], 15[O],
LYS441CA4139[N], 12[O], 17[C], 3[P],
LYS441CD29314[O], 3[P], 12[C],
LYS441O1633[C], 3[P], 3[N], 7[O],
LYS441CG34312[C], 3[P], 4[N], 15[O],
LYS441CE33317[O], 13[C], 3[P],
LYS441C3639[N], 12[O], 3[P], 12[C],
LYS441N2136[N], 6[O], 9[C],
LYS441CB47317[O], 7[N], 20[C], 3[P],
ARG442N4439[N], 12[O], 20[C], 3[P],
ARG442CD42315[N], 9[O], 15[C], 3[P],
ARG442O933[P], 6[O],
ARG442C1433[P], 11[O],
ARG442CZ51321[C], 3[P], 12[O], 15[N],
ARG442NE5133[P], 21[C], 15[N], 12[O],
ARG442CA34312[O], 7[N], 3[P], 12[C],
ARG442CB43315[N], 12[O], 13[C], 3[P],
ARG442CG45310[O], 15[N], 3[P], 17[C],
SER443CA1433[P], 11[O],
SER443N15312[O], 3[P],
SER443CB1233[P], 9[O],
SER443OG15312[O], 3[P],
SER443C15312[O], 3[P],
SER443O15312[O], 3[P],
MET444CA333[O],
MET444O333[O],
MET444C333[O],
MET444N633[P], 3[O],
ALA445C2133[P], 6[C], 12[O],
ALA445N1239[O], 3[P],
ALA445CA1533[P], 12[O],
ALA445CB19314[O], 3[P], 2[C],
ALA445O21312[O], 3[P], 6[C],
THR446C24314[O], 9[C], 1[P],
THR446CA633[C], 3[O],
THR446N939[O],
THR446O34312[C], 4[P], 18[O],
THR446CB131[O],
GLY447N29312[C], 3[P], 14[O],
GLY447C2533[P], 6[C], 16[O],
GLY447O14310[O], 1[C], 3[P],
GLY447CA32317[O], 3[P], 12[C],
TYR448C1639[O], 3[C], 1[P],
TYR448CE231315[C], 3[N], 6[O],
TYR448N41320[O], 12[C], 3[P],
TYR448CB47319[O], 3[N], 13[C], 3[P],
TYR448CG4031[P], 19[C], 9[O], 3[N],
TYR448CA2833[P], 7[C], 13[O],
TYR448CD23533[N], 8[O], 17[C],
TYR448CD133317[C], 7[O], 3[N],
TYR448O232[O],
TYR448CE117310[C], 2[O], 3[N],
TYR448CZ1833[N], 2[O], 11[C],
ALA449CB431[C], 2[O],
ALA449CA332[O],
ALA449N2031[P], 5[C], 10[O],
PHE456CZ232[O],
GLY466C1236[N], 6[C],
GLY466CA232[C],
GLY466O2333[O], 8[N], 12[C],
ASP467O733[N], 4[C],
ASP467C1637[C], 9[N],
ASP467CG1438[C], 6[N],
ASP467OD21538[C], 7[N],
ASP467CA1939[N], 10[C],
ASP467CB1236[C], 6[N],
ASP467OD11337[C], 6[N],
ASP467N1436[C], 8[N],
ALA468CB21312[C], 9[N],
ALA468CA1739[N], 8[C],
ALA468N21312[C], 9[N],
ALA468C633[C], 3[N],
LYS469N633[C], 3[N],
Total = 195



Download csv file of statistical distribution of contacts