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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: LC5_A_3(5JAZ) / Model_77(5JAZ/A) = [8.1] Download708.528.86MTQSVCILGVTGSIGQSTLKILGQHPDKYSVFAVSAHSRISELVEICKQFRPKVVVVPEQKIAELKTLFAQQNISAIDVLAGQEGLVDIASHTDVDIVMAAIVGAAGLLPTLAAVKAGKRVLLANKEALVMSGEIMMQAARDHQALLLPVDSEHNAIFQSLPHNYLQADRTGQPQLGVSKILLTASGGPFLNHSLEQLVHVTPQKACKHPNWSMGQKISVDSATLMNKGLELIEACHLFSISEHFVTVVVHPQSIIHSMVQYVDGSTLAQMGNPDMCTPIAHALAWPERLQTNVPALDLFEYSQLNFQAPDTQKFPALNLARQAMRAGGLAPTILNAANEIAVEAFLMERIGFTSIPQVVEHTLEKLENTAAESIECILDKDKVARSVAQQYIKYWRLK
Complex: L50_A_3(5JMW) / Model_69(5JMW/A) = [7.8] Download722.2511.10MTQSVCILGVTGSIGQSTLKILGQHPDKYSVFAVSAHSRISELVEICKQFRPKVVVVPEQKIAELKTLFAQQNISAIDVLAGQEGLVDIASHTDVDIVMAAIVGAAGLLPTLAAVKAGKRVLLANKEALVMSGEIMMQAARDHQALLLPVDSEHNAIFQSLPHNYLQADRTGQPQLGVSKILLTASGGPFLNHSLEQLVHVTPQKACKHPNWSMGQKISVDSATLMNKGLELIEACHLFSISEHFVTVVVHPQSIIHSMVQYVDGSTLAQMGNPDMCTPIAHALAWPERLQTNVPALDLFEYSQLNFQAPDTQKFPALNLARQAMRAGGLAPTILNAANEIAVEAFLMERIGFTSIPQVVEHTLEKLENTAAESIECILDKDKVARSVAQQYIKYWRLK
Complex: 6J8_A_3(5JBI) / Model_75(5JBI/A) = [7.7] Download802.3212.61MTQSVCILGVTGSIGQSTLKILGQHPDKYSVFAVSAHSRISELVEICKQFRPKVVVVPEQKIAELKTLFAQQNISAIDVLAGQEGLVDIASHTDVDIVMAAIVGAAGLLPTLAAVKAGKRVLLANKEALVMSGEIMMQAARDHQALLLPVDSEHNAIFQSLPHNYLQADRTGQPQLGVSKILLTASGGPFLNHSLEQLVHVTPQKACKHPNWSMGQKISVDSATLMNKGLELIEACHLFSISEHFVTVVVHPQSIIHSMVQYVDGSTLAQMGNPDMCTPIAHALAWPERLQTNVPALDLFEYSQLNFQAPDTQKFPALNLARQAMRAGGLAPTILNAANEIAVEAFLMERIGFTSIPQVVEHTLEKLENTAAESIECILDKDKVARSVAQQYIKYWRLK
Complex: 6JB_B_14(5JC1) / Model_72(5JC1/B) = [7.5] Download855.518.86MTQSVCILGVTGSIGQSTLKILGQHPDKYSVFAVSAHSRISELVEICKQFRPKVVVVPEQKIAELKTLFAQQNISAIDVLAGQEGLVDIASHTDVDIVMAAIVGAAGLLPTLAAVKAGKRVLLANKEALVMSGEIMMQAARDHQALLLPVDSEHNAIFQSLPHNYLQADRTGQPQLGVSKILLTASGGPFLNHSLEQLVHVTPQKACKHPNWSMGQKISVDSATLMNKGLELIEACHLFSISEHFVTVVVHPQSIIHSMVQYVDGSTLAQMGNPDMCTPIAHALAWPERLQTNVPALDLFEYSQLNFQAPDTQKFPALNLARQAMRAGGLAPTILNAANEIAVEAFLMERIGFTSIPQVVEHTLEKLENTAAESIECILDKDKVARSVAQQYIKYWRLK
Complex: LC7_B_14(5JMP) / Model_70(5JMP/B) = [7.3] Download738.069.23MTQSVCILGVTGSIGQSTLKILGQHPDKYSVFAVSAHSRISELVEICKQFRPKVVVVPEQKIAELKTLFAQQNISAIDVLAGQEGLVDIASHTDVDIVMAAIVGAAGLLPTLAAVKAGKRVLLANKEALVMSGEIMMQAARDHQALLLPVDSEHNAIFQSLPHNYLQADRTGQPQLGVSKILLTASGGPFLNHSLEQLVHVTPQKACKHPNWSMGQKISVDSATLMNKGLELIEACHLFSISEHFVTVVVHPQSIIHSMVQYVDGSTLAQMGNPDMCTPIAHALAWPERLQTNVPALDLFEYSQLNFQAPDTQKFPALNLARQAMRAGGLAPTILNAANEIAVEAFLMERIGFTSIPQVVEHTLEKLENTAAESIECILDKDKVARSVAQQYIKYWRLK
Consensus
[pKd Mean = 7.68]		-765
(s=55)		10
(s=1)		MTQSVCILGVTGSIGQSTLKILGQHPDKYSVFAVSAHSRISELVEICKQFRPKVVVVPEQKIAELKTLFAQQNISAIDVLAGQEGLVDIASHTDVDIVMAAIVGAAGLLPTLAAVKAGKRVLLANKEALVMSGEIMMQAARDHQALLLPVDSEHNAIFQSLPHNYLQADRTGQPQLGVSKILLTASGGPFLNHSLEQLVHVTPQKACKHPNWSMGQKISVDSATLMNKGLELIEACHLFSISEHFVTVVVHPQSIIHSMVQYVDGSTLAQMGNPDMCTPIAHALAWPERLQTNVPALDLFEYSQLNFQAPDTQKFPALNLARQAMRAGGLAPTILNAANEIAVEAFLMERIGFTSIPQVVEHTLEKLENTAAESIECILDKDKVARSVAQQYIKYWRLK



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]
SER13OG7254[C], 3[F],
SER13CA4251[C], 3[F],
SER13CB7254[C], 3[F],
SER13N4251[C], 3[F],
SER13O1251[F],
SER13C4253[F], 1[C],
ILE14CB3251[C], 2[F],
ILE14CG16253[C], 3[F],
ILE14CD18254[C], 3[F], 1[N],
ILE14CA3252[F], 1[C],
ILE14N4251[C], 3[F],
LYS126CG1251[O],
LYS126CD22251[P], 21[O],
LYS126CE53253[N], 35[O], 2[P], 13[C],
LYS126NZ1302552[C], 53[O], 2[P], 1[S], 22[N],
VAL150C3253[O],
VAL150O202520[O],
ASP151CG982524[C], 23[N], 50[O], 1[P],
ASP151O262526[O],
ASP151CA602517[N], 1[P], 35[O], 7[C],
ASP151OD11432524[N], 51[O], 2[P], 66[C],
ASP151C52257[C], 16[N], 1[P], 28[O],
ASP151CB45254[C], 38[O], 1[P], 2[N],
ASP151N212521[O],
ASP151OD282251[P], 49[O], 18[N], 14[C],
SER152OG28625204[C], 3[F], 50[O], 1[P], 28[N],
SER152CA107251[P], 29[O], 22[N], 53[C], 2[F],
SER152C602517[N], 28[O], 1[P], 13[C], 1[F],
SER152CB196254[F], 120[C], 45[O], 1[P], 26[N],
SER152N125251[P], 49[O], 25[N], 49[C], 1[F],
SER152O152512[O], 1[F], 2[C],
GLU153N56251[P], 28[O], 19[N], 8[C],
GLU153CB262526[O],
GLU153OE23372525[P], 105[O], 1[S], 27[N], 179[C],
GLU153OE120425113[C], 3[P], 62[O], 26[N],
GLU153CG1052520[N], 66[O], 1[P], 18[C],
GLU153CA252525[O],
GLU153CD2632526[N], 16[P], 93[O], 128[C],
THR184O662524[P], 39[O], 3[C],
THR184C27252[P], 25[O],
THR184OG11251[O],
THR184CA1251[O],
ALA185N442526[O], 18[P],
ALA185O602543[O], 17[P],
ALA185CA1152519[C], 24[P], 72[O],
ALA185C1232572[O], 24[P], 27[C],
ALA185CB97251[C], 24[P], 72[O],
SER186CA20725110[C], 24[P], 72[O], 1[N],
SER186CB2542524[P], 75[O], 1[N], 1[F], 151[C],
SER186OG254251[F], 152[C], 75[O], 24[P], 1[N], 1[S],
SER186N20625109[C], 1[N], 72[O], 24[P],
SER186C81258[C], 49[O], 24[P],
SER186O342534[O],
GLY187O172517[O],
GLY187N902524[P], 66[O],
GLY187CA542541[O], 13[P],
GLY187C342524[O], 10[P],
GLY188CA37253[C], 24[O], 10[P],
GLY188C112511[O],
GLY188N622542[O], 20[P],
ALA206O1251[C],
CYS207SG1251[C],
HIS209CG10257[C], 2[O], 1[P],
HIS209C1251[C],
HIS209NE2372519[C], 12[O], 5[P], 1[N],
HIS209ND1192513[C], 5[O], 1[P],
HIS209O1251[C],
HIS209CD219253[P], 6[O], 10[C],
HIS209CE136251[N], 11[O], 4[P], 20[C],
PRO210CD1251[C],
PRO210CB7257[C],
PRO210CG4254[C],
PRO210O3253[C],
PRO210C5255[C],
PRO210N1251[C],
PRO210CA5255[C],
ASN211N10251[O], 9[C],
ASN211CA16251[O], 15[C],
ASN211CG12251[O], 11[C],
ASN211ND218251[O], 17[C],
ASN211C212520[C], 1[O],
ASN211OD16255[C], 1[O],
ASN211O152514[C], 1[O],
ASN211CB25251[O], 24[C],
TRP212CA422542[C],
TRP212CD1158256[P], 13[O], 6[N], 2[F], 131[C],
TRP212CZ3812570[C], 1[F], 5[O], 5[N],
TRP212CG127252[F], 116[C], 1[P], 3[O], 5[N],
TRP212CD2118255[N], 7[O], 104[C], 2[F],
TRP212CE3882576[C], 1[F], 5[O], 6[N],
TRP212N282528[C],
TRP212CE21262510[O], 1[P], 6[N], 107[C], 2[F],
TRP212NE114525113[C], 2[F], 7[N], 16[O], 7[P],
TRP212C162516[C],
TRP212O162516[C],
TRP212CB104251[F], 98[C], 1[O], 4[N],
TRP212CZ21142510[N], 1[P], 12[O], 89[C], 2[F],
SER213O7257[C],
SER213N9259[C],
SER213CA1251[C],
SER213C3253[C],
MET214O2252[C],
MET214SD22425177[C], 20[N], 1[S], 1[P], 25[O],
MET214N7257[C],
MET214CG60255[N], 1[S], 1[O], 53[C],
MET214CB212521[C],
MET214CE20025147[C], 12[P], 29[O], 1[S], 11[N],
MET214C2252[C],
MET214CA7257[C],
GLY215O2252[C],
ILE218CB442532[C], 2[F], 1[N], 1[S], 7[O], 1[P],
ILE218O612548[C], 1[P], 11[O], 1[S],
ILE218CG2662548[C], 3[F], 8[N], 1[S], 6[O],
ILE218CA8256[C], 1[F], 1[O],
ILE218CG11022568[C], 2[F], 27[O], 4[N], 1[S],
ILE218C222520[C], 1[S], 1[O],
ILE218CD1146253[F], 88[C], 37[O], 17[N], 1[S],
SER219OG182517[C],
SER219O122511[C],
SER219N132511[C],
SER219C9258[C],
SER219CA192518[C],
SER219CB122510[C],
ASP221O252525[O],
ASP221C222522[O],
SER222N932521[C], 1[S], 48[O], 22[P],
SER222CB217251[S], 24[P], 74[O], 117[C],
SER222O722524[P], 48[O],
SER222C74252[C], 24[P], 48[O],
SER222OG23425130[C], 76[O], 24[P], 2[N], 1[S],
SER222CA1332551[O], 24[P], 1[S], 56[C],
ALA223N242524[O],
LEU225CD235251[P], 34[O],
LEU225CD12252[O],
LEU225CA132513[O],
ASN227N242524[O],
ASN227CB1582580[O], 25[P], 1[S], 52[C],
ASN227C252525[O],
ASN227CA262526[O],
ASN227CG2122525[P], 88[O], 7[N], 1[S], 91[C],
ASN227O252525[O],
ASN227ND229425125[C], 24[N], 1[S], 24[P], 120[O],
ASN227OD11392551[O], 7[P], 7[N], 1[S], 73[C],
LYS228CB52259[P], 43[O],
LYS228N452521[P], 24[O],
LYS228CA242524[O],
LYS228CG52252[P], 50[O],
LYS228NZ25525104[C], 25[P], 106[O], 1[S], 19[N],
LYS228CD742550[O], 24[P],
LYS228CE1572545[C], 88[O], 24[P],
GLU231CG292529[O],
GLU231OE22172585[C], 18[P], 90[O], 1[S], 23[N],
GLU231CD1652523[N], 84[O], 10[P], 48[C],
GLU231OE11992551[C], 23[N], 100[O], 25[P],
PRO252O2251[C], 1[F],
GLN253O6252[F], 3[C],
GLN253C4252[C], 1[F],
SER254N6251[O], 1[F], 3[C],
SER254CA64251[O], 1[N], 59[C], 2[F],
SER254OG16425138[C], 2[F], 17[O], 4[P], 1[N],
SER254C29251[N], 1[O], 25[C], 1[F],
SER254O68253[F], 62[C], 1[N], 1[O],
SER254CB138251[N], 3[O], 132[C], 2[F],
HIS257ND163252[O], 2[N], 56[C], 3[F],
HIS257NE2422536[C], 3[F], 1[N], 2[O],
HIS257CB152513[C], 1[F], 1[O],
HIS257CD233252[O], 1[N], 29[C], 1[F],
HIS257CA1251[C],
HIS257CE181252[O], 1[N], 74[C], 4[F],
HIS257CG37251[N], 2[O], 2[F], 31[C],
GLY272O1251[F],
ASN273C272524[C], 2[F], 1[O],
ASN273O35251[O], 2[F], 32[C],
PRO274O81254[O], 72[C], 5[F],
PRO274N732567[C], 2[F], 3[O],
PRO274CG111254[O], 1[N], 4[F], 101[C],
PRO274CB14025126[C], 6[F], 2[N], 5[O],
PRO274CA121252[N], 5[O], 107[C], 5[F],
PRO274CD44252[O], 1[F], 40[C],
PRO274C972587[C], 4[F], 5[O],
ASP275CB212516[C], 3[F], 2[O],
ASP275CG1251[F],
ASP275O41252[O], 4[F], 35[C],
ASP275OD12252[F],
ASP275C50254[F], 44[C], 2[O],
ASP275CA54252[O], 48[C], 4[F],
ASP275N852577[C], 4[F], 3[O],
MET276SD182251[P], 31[O], 28[N], 5[F], 116[C],
MET276O4252[C], 2[F],
MET276CE1152557[C], 4[F], 21[N], 1[P], 32[O],
MET276CA42254[F], 36[C], 2[O],
MET276N52252[O], 46[C], 4[F],
MET276CB502542[C], 5[F], 2[O], 1[N],
MET276CG1432594[C], 5[F], 19[N], 25[O],
MET276C9254[F], 3[C], 2[O],
CYS277N1251[F],
THR278CB1251[C],
PRO279CD10251[O], 6[C], 3[F],
PRO279CG172512[C], 3[F], 2[O],
PRO279CB3252[C], 1[F],
PRO279N2252[C],
Total = 201



Download csv file of statistical distribution of contacts