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 :C2_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 C2_S1
Complex: FAO_A_4(3P4T) / Model_66(3P4T/A) = [8.7] Download1752.0916.72MNLQNPKKFKMMIDQAHDVAINVLRPISRKYDKAEHAYPKELDMLASLIDGMNEGGEGINAGAAGAGKRGESDNEGVRNGTNMSTALGIIEMCYGDTGLLLSMPRQGLGNSAIAAVANDEQLERFKGTWAAMAITEPGCGSDSAAIRTTATKDGNDYILNGEKIFVTSGERADSVVVWATLDRKLGRAAIKSFVVPKGTPGMKVERLEHKLGIKASDTAVISFTDCRVPAENLLGNPEIDVAKGFAGVMETFDNTRPLVAAMAIGCAKASLERIKEIFKDQLDSNYSTPYLQTSNLAAQIYRMEAEWEAARLLMLKATWMADNKKPNSKEASIAKAKAGRVGNEITLKCVELAASVGYKEDELLEKWARDSKILDIFEGTQQIQQLIIARRELGKSSSELK
Complex: FDA_A_20(3OIB) / Model_68(3OIB/A) = [4.7] Download1813.2916.06MNLQNPKKFKMMIDQAHDVAINVLRPISRKYDKAEHAYPKELDMLASLIDGMNEGGEGINAGAAGAGKRGESDNEGVRNGTNMSTALGIIEMCYGDTGLLLSMPRQGLGNSAIAAVANDEQLERFKGTWAAMAITEPGCGSDSAAIRTTATKDGNDYILNGEKIFVTSGERADSVVVWATLDRKLGRAAIKSFVVPKGTPGMKVERLEHKLGIKASDTAVISFTDCRVPAENLLGNPEIDVAKGFAGVMETFDNTRPLVAAMAIGCAKASLERIKEIFKDQLDSNYSTPYLQTSNLAAQIYRMEAEWEAARLLMLKATWMADNKKPNSKEASIAKAKAGRVGNEITLKCVELAASVGYKEDELLEKWARDSKILDIFEGTQQIQQLIIARRELGKSSSELK
Consensus
[pKd Mean = 6.70]		-1782
(s=30)		16
(s=0)		MNLQNPKKFKMMIDQAHDVAINVLRPISRKYDKAEHAYPKELDMLASLIDGMNEGGEGINAGAAGAGKRGESDNEGVRNGTNMSTALGIIEMCYGDTGLLLSMPRQGLGNSAIAAVANDEQLERFKGTWAAMAITEPGCGSDSAAIRTTATKDGNDYILNGEKIFVTSGERADSVVVWATLDRKLGRAAIKSFVVPKGTPGMKVERLEHKLGIKASDTAVISFTDCRVPAENLLGNPEIDVAKGFAGVMETFDNTRPLVAAMAIGCAKASLERIKEIFKDQLDSNYSTPYLQTSNLAAQIYRMEAEWEAARLLMLKATWMADNKKPNSKEASIAKAKAGRVGNEITLKCVELAASVGYKEDELLEKWARDSKILDIFEGTQQIQQLIIARRELGKSSSELK



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]
ALA131N222[O],
ALA131CA622[N], 2[C], 2[O],
ALA131C1022[N], 4[C], 4[O],
ALA131CB622[N], 2[C], 2[O],
ALA131O521[C], 2[O], 2[N],
MET132C1828[C], 4[O], 6[N],
MET132CA1628[C], 4[O], 4[N],
MET132SD1324[N], 5[C], 4[O],
MET132CG1624[N], 8[C], 4[O],
MET132N1525[N], 4[O], 6[C],
MET132CE422[O], 2[N],
MET132CB1824[O], 8[C], 6[N],
MET132O2624[O], 14[C], 8[N],
ALA133C1624[N], 8[C], 4[O],
ALA133N1624[N], 4[O], 8[C],
ALA133CA1624[N], 8[C], 4[O],
ALA133CB1624[N], 8[C], 4[O],
ALA133O1224[O], 4[C], 4[N],
ILE134CA19210[C], 5[O], 4[N],
ILE134C2426[N], 6[O], 12[C],
ILE134CD11828[C], 6[O], 4[N],
ILE134CG11728[C], 5[O], 4[N],
ILE134N2125[O], 10[C], 6[N],
ILE134CB22210[C], 6[O], 6[N],
ILE134CG21224[N], 3[C], 5[O],
ILE134O1024[N], 4[C], 2[O],
THR135OG15828[N], 20[O], 28[C], 2[P],
THR135CG259220[O], 27[C], 4[P], 8[N],
THR135CA44220[C], 2[P], 16[O], 6[N],
THR135O2525[O], 14[C], 6[N],
THR135C3426[N], 12[O], 2[P], 14[C],
THR135N4028[N], 14[O], 18[C],
THR135CB5428[N], 18[O], 26[C], 2[P],
GLU136O2424[P], 6[C], 14[O],
GLU136CB222[O],
GLU136N28212[O], 2[P], 10[C], 4[N],
GLU136CA921[P], 2[C], 4[O], 2[N],
GLU136C826[O], 2[P],
GLU136CG222[O],
PRO137O14210[O], 4[P],
PRO137CA622[P], 4[O],
PRO137N222[O],
PRO137C826[O], 2[P],
GLY138O1524[P], 10[O],
GLY138N521[P], 4[O],
GLY138CA1026[O], 4[P],
GLY138C16212[O], 4[P],
CYS139N1921[C], 4[P], 13[O],
CYS139CB22214[O], 3[C], 4[P],
CYS139SG1621[N], 1[C], 4[P], 10[O],
CYS139C34219[O], 10[C], 4[P],
CYS139CA30217[O], 4[P], 7[C],
CYS139O3622[N], 20[O], 10[C], 4[P],
GLY140CA4524[N], 4[P], 15[C], 21[O],
GLY140C4724[P], 17[C], 21[O], 4[N],
GLY140O44221[O], 14[C], 4[P], 4[N],
GLY140N4323[N], 13[C], 4[P], 21[O],
SER141CB64222[O], 21[C], 4[P], 8[N],
SER141O2022[N], 9[O], 6[C], 3[P],
SER141OG6424[P], 21[C], 22[O], 8[N],
SER141C3524[N], 14[O], 11[C], 4[P],
SER141N5224[N], 4[P], 17[C], 20[O],
SER141CA56221[O], 4[P], 19[C], 4[N],
ASP142C222[O],
ASP142OD2422[O], 2[N],
ASP142CG422[N], 2[O],
ASP142CA1522[N], 9[O], 2[C], 2[P],
ASP142O222[O],
ASP142CB1626[O], 2[P], 4[C], 4[N],
ASP142N3024[N], 4[P], 8[C], 13[O],
SER143OG323[O],
SER143N424[O],
LYS163CB824[N], 2[O], 2[C],
LYS163CE222[O],
LYS163NZ222[O],
LYS163C822[C], 2[O], 4[N],
LYS163CA422[O], 2[C],
LYS163CD824[N], 2[O], 2[C],
LYS163CG622[C], 2[O], 2[N],
ILE164CB1123[N], 2[O], 6[C],
ILE164N18210[C], 2[O], 6[N],
ILE164CA2627[N], 3[O], 16[C],
ILE164CD11424[C], 2[P], 8[O],
ILE164CG12922[P], 14[C], 9[O], 4[N],
ILE164O51213[O], 30[C], 8[N],
ILE164C4428[O], 28[C], 8[N],
PHE165CB60216[O], 2[P], 34[C], 8[N],
PHE165CE24926[N], 11[O], 30[C], 2[P],
PHE165CZ42228[C], 2[P], 10[O], 2[N],
PHE165CA46230[C], 8[O], 8[N],
PHE165CD25222[P], 34[C], 10[O], 6[N],
PHE165N4527[O], 30[C], 8[N],
PHE165O46230[C], 8[O], 8[N],
PHE165CG60216[O], 34[C], 2[P], 8[N],
PHE165CD16028[N], 16[O], 2[P], 34[C],
PHE165C46230[C], 8[O], 8[N],
PHE165CE15424[N], 30[C], 4[P], 16[O],
VAL166CA36224[C], 4[O], 8[N],
VAL166O3128[N], 19[C], 4[O],
VAL166CG228216[C], 4[O], 8[N],
VAL166CG124212[C], 4[O], 8[N],
VAL166N4024[O], 28[C], 8[N],
VAL166CB2824[O], 16[C], 8[N],
VAL166C3624[O], 24[C], 8[N],
THR167CG22522[O], 17[C], 6[N],
THR167CB3528[N], 23[C], 4[O],
THR167C2124[N], 15[C], 2[O],
THR167CA3428[N], 4[O], 22[C],
THR167O1824[N], 2[O], 12[C],
THR167N3628[N], 24[C], 4[O],
THR167OG14125[O], 28[C], 8[N],
SER168CB222[O],
SER168C222[O],
SER168N1424[N], 2[O], 8[C],
SER168CA322[O], 1[C],
SER168OG222[O],
GLY169N422[O], 2[C],
GLY169CA322[O], 1[C],
VAL175CG1422[O], 2[N],
VAL176O622[C], 2[O], 2[N],
TRP178CG222[O],
TRP178NE1622[C], 2[O], 2[N],
TRP178CB222[O],
TRP178N222[O],
TRP178CE2222[O],
TRP178CD1622[N], 2[O], 2[C],
GLU208O222[C],
GLU208OE215215[C],
GLU208CD16216[C],
GLU208OE122218[C], 4[N],
GLU208CB626[C],
GLU208CG323[C],
LYS210CA424[C],
LYS210CB10210[C],
LYS210NZ11211[C],
LYS210CD18216[C], 2[N],
LYS210C222[C],
LYS210CE1822[N], 16[C],
LYS210CG12212[C],
LYS210N222[C],
LEU211N424[C],
GLY212C424[C],
GLY212N222[C],
GLY212O10210[C],
GLY212CA222[C],
ILE213N222[C],
ILE213CG210210[C],
ILE213CA424[C],
ILE213C222[C],
ILE213CD118216[C], 2[N],
ILE213O626[C],
ILE213CG112212[C],
ILE213CB10210[C],
LYS214N222[C],
SER216O626[C],
SER216OG1228[C], 2[O], 2[N],
SER216CA222[C],
SER216C222[C],
SER216CB626[C],
ASP217C525[C],
ASP217O1222[N], 8[C], 2[O],
THR218CB26222[C], 2[O], 2[N],
THR218N626[C],
THR218O222[C],
THR218C1028[C], 2[N],
THR218CA2022[N], 16[C], 2[O],
THR218OG12422[N], 2[O], 20[C],
THR218CG23628[N], 26[C], 2[O],
ALA219O2026[N], 12[C], 2[O],
ALA219N1622[N], 12[C], 2[O],
PHE252CZ1026[O], 2[C], 2[N],
PHE252CE11224[N], 2[C], 6[O],
PHE252CD1121[O],
PHE252CE2222[O],
LYS372O222[C],
LYS372C222[C],
ILE373CG12622[O], 20[C], 4[N],
ILE373N626[C],
ILE373CA12212[C],
ILE373C13213[C],
ILE373CD12924[N], 24[C], 1[O],
ILE373O2822[N], 4[O], 22[C],
ILE373CG216216[C],
ILE373CB16216[C],
LEU374N424[C],
ASP375C824[C], 3[O],
ASP375O1424[O], 7[C],
ILE376C49214[O], 2[P], 29[C], 2[N],
ILE376N2228[O], 14[C],
ILE376CB4722[P], 28[C], 14[O], 2[N],
ILE376CA4422[N], 2[P], 23[C], 14[O],
ILE376CG131216[C], 2[P], 11[O],
ILE376O59228[C], 4[P], 18[O], 4[N],
ILE376CG26024[P], 30[C], 18[O], 2[N],
ILE376CD12525[O], 19[C],
PHE377O2822[N], 20[C], 6[O],
PHE377CE13125[N], 20[C], 6[O],
PHE377CD23525[O], 25[C], 5[N],
PHE377N45230[C], 10[O], 5[N],
PHE377CG4427[O], 31[C], 6[N],
PHE377CB4828[O], 34[C], 6[N],
PHE377CD14327[O], 29[C], 1[P], 6[N],
PHE377CE22823[N], 22[C], 3[O],
PHE377CZ21215[C], 3[O], 3[N],
PHE377C42228[C], 8[O], 6[N],
PHE377CA4926[N], 33[C], 10[O],
GLU378OE12825[O], 15[C], 8[N],
GLU378CA3326[N], 21[C], 6[O],
GLU378CD2928[N], 17[C], 4[O],
GLU378OE22928[N], 17[C], 4[O],
GLU378CG21213[C], 3[O], 5[N],
GLU378C1925[O], 11[C], 3[N],
GLU378N49232[C], 9[O], 8[N],
GLU378O924[O], 5[C],
GLU378CB1629[C], 4[O], 3[N],
GLY379C20210[C], 9[O],
GLY379N27215[C], 8[O], 4[N],
GLY379CA19210[O], 9[C],
GLY379O1428[C], 6[O],
THR380O1624[O], 8[C],
THR380CB56218[O], 4[P], 19[C], 6[N],
THR380C1822[N], 8[C], 4[O],
THR380N3822[N], 11[C], 3[P], 16[O],
THR380CG26026[N], 4[P], 19[C], 22[O],
THR380OG15427[N], 4[P], 21[C], 13[O],
THR380CA37215[O], 13[C], 1[P], 2[N],
GLN381C723[O], 2[C],
GLN381CG222[O],
GLN381CA621[C], 3[O],
GLN381N1022[O], 5[C],
GLN381O222[O],
GLN381CB423[O],
GLN382CG3228[N], 15[C], 3[O],
GLN382CA30213[C], 4[O], 8[N],
GLN382NE231216[C], 3[O], 6[N],
GLN382CB35210[N], 15[C], 4[O],
GLN382C30214[C], 2[O], 10[N],
GLN382OE138210[N], 5[O], 15[C],
GLN382O26210[N], 13[C], 1[O],
GLN382CD36215[C], 5[O], 8[N],
GLN382N1822[O], 8[C], 4[N],
ILE383CG22324[N], 5[O], 12[C],
ILE383C722[N], 3[C], 1[O],
ILE383CB43217[C], 10[O], 10[N],
ILE383CG15424[P], 19[C], 12[O], 10[N],
ILE383CA3022[O], 14[C], 10[N],
ILE383CD150210[N], 17[C], 2[P], 12[O],
ILE383N33210[N], 4[O], 14[C],
ILE383O222[O],
Total = 249



Download csv file of statistical distribution of contacts