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 :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: AN2_B_4(4U7O) / Model_22(4U7O/B) = [9.6] Download676.0018.29MYEPYPVPEQVREQKLSRYSSLWTFAKQDLRLLLFFLIIAGLVGLGIGYFWSCIFIAFVVFFTLQLRSLYLVNDWIANNPYDVPPNLNGIWGALLFNVYRAQRQERIVQAEMVGLIDRAQSSLVALAEAVVLIDDQHQIEWWNPAAERLLGISPLDRGRNLLTILRQPTFIEYFNNIDQAPDGIKLHSNLDDDRYVQVKLTRFGGESRLLVAYDVTRMHNLEQMRKDFVDNISHELRTPLTVLSGYIETFTDQEDINPRWKRAFDQMQSQTKRMNALVNDLLLLSNLENNKKIAKNQIIEMPSLMNQLFDDAQAYNADYGHTLNLHIDSHCDLIGSDMEIASAFSNLITNAIKYTPKGGTITIGWHDDGEHAYFSVQDTGIGINPKHLPRLTERFYRVDSDRSRQTGGTGLGLAIVKHVLMQQGAYLDVQSKENEGSTFTAVFPKERLYNMT
Complex: ATP_A_4(3SL2) / Model_14(3SL2/A) = [7.6] Download1109.1723.54MYEPYPVPEQVREQKLSRYSSLWTFAKQDLRLLLFFLIIAGLVGLGIGYFWSCIFIAFVVFFTLQLRSLYLVNDWIANNPYDVPPNLNGIWGALLFNVYRAQRQERIVQAEMVGLIDRAQSSLVALAEAVVLIDDQHQIEWWNPAAERLLGISPLDRGRNLLTILRQPTFIEYFNNIDQAPDGIKLHSNLDDDRYVQVKLTRFGGESRLLVAYDVTRMHNLEQMRKDFVDNISHELRTPLTVLSGYIETFTDQEDINPRWKRAFDQMQSQTKRMNALVNDLLLLSNLENNKKIAKNQIIEMPSLMNQLFDDAQAYNADYGHTLNLHIDSHCDLIGSDMEIASAFSNLITNAIKYTPKGGTITIGWHDDGEHAYFSVQDTGIGINPKHLPRLTERFYRVDSDRSRQTGGTGLGLAIVKHVLMQQGAYLDVQSKENEGSTFTAVFPKERLYNMT
Complex: ADP_A_7(3DGE) / Model_18(3DGE/A) = [7.1] Download755.7523.36MYEPYPVPEQVREQKLSRYSSLWTFAKQDLRLLLFFLIIAGLVGLGIGYFWSCIFIAFVVFFTLQLRSLYLVNDWIANNPYDVPPNLNGIWGALLFNVYRAQRQERIVQAEMVGLIDRAQSSLVALAEAVVLIDDQHQIEWWNPAAERLLGISPLDRGRNLLTILRQPTFIEYFNNIDQAPDGIKLHSNLDDDRYVQVKLTRFGGESRLLVAYDVTRMHNLEQMRKDFVDNISHELRTPLTVLSGYIETFTDQEDINPRWKRAFDQMQSQTKRMNALVNDLLLLSNLENNKKIAKNQIIEMPSLMNQLFDDAQAYNADYGHTLNLHIDSHCDLIGSDMEIASAFSNLITNAIKYTPKGGTITIGWHDDGEHAYFSVQDTGIGINPKHLPRLTERFYRVDSDRSRQTGGTGLGLAIVKHVLMQQGAYLDVQSKENEGSTFTAVFPKERLYNMT
Complex: ACP_B_7(5C93) / Model_23(5C93/B) = [7.0] Download1009.5517.97MYEPYPVPEQVREQKLSRYSSLWTFAKQDLRLLLFFLIIAGLVGLGIGYFWSCIFIAFVVFFTLQLRSLYLVNDWIANNPYDVPPNLNGIWGALLFNVYRAQRQERIVQAEMVGLIDRAQSSLVALAEAVVLIDDQHQIEWWNPAAERLLGISPLDRGRNLLTILRQPTFIEYFNNIDQAPDGIKLHSNLDDDRYVQVKLTRFGGESRLLVAYDVTRMHNLEQMRKDFVDNISHELRTPLTVLSGYIETFTDQEDINPRWKRAFDQMQSQTKRMNALVNDLLLLSNLENNKKIAKNQIIEMPSLMNQLFDDAQAYNADYGHTLNLHIDSHCDLIGSDMEIASAFSNLITNAIKYTPKGGTITIGWHDDGEHAYFSVQDTGIGINPKHLPRLTERFYRVDSDRSRQTGGTGLGLAIVKHVLMQQGAYLDVQSKENEGSTFTAVFPKERLYNMT
Consensus
[pKd Mean = 7.82]		-887
(s=177)		20
(s=2)		MYEPYPVPEQVREQKLSRYSSLWTFAKQDLRLLLFFLIIAGLVGLGIGYFWSCIFIAFVVFFTLQLRSLYLVNDWIANNPYDVPPNLNGIWGALLFNVYRAQRQERIVQAEMVGLIDRAQSSLVALAEAVVLIDDQHQIEWWNPAAERLLGISPLDRGRNLLTILRQPTFIEYFNNIDQAPDGIKLHSNLDDDRYVQVKLTRFGGESRLLVAYDVTRMHNLEQMRKDFVDNISHELRTPLTVLSGYIETFTDQEDINPRWKRAFDQMQSQTKRMNALVNDLLLLSNLENNKKIAKNQIIEMPSLMNQLFDDAQAYNADYGHTLNLHIDSHCDLIGSDMEIASAFSNLITNAIKYTPKGGTITIGWHDDGEHAYFSVQDTGIGINPKHLPRLTERFYRVDSDRSRQTGGTGLGLAIVKHVLMQQGAYLDVQSKENEGSTFTAVFPKERLYNMT



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]
ASN231CG141[O],
ASN231ND2141[O],
ASN231CB141[O],
HIS234CB943[P], 6[O],
HIS234NE222415[O], 1[N], 5[P], 1[C],
HIS234CA444[O],
HIS234O544[O], 1[P],
HIS234C343[O],
HIS234CD22041[N], 13[O], 1[C], 5[P],
HIS234ND120413[O], 1[N], 1[C], 5[P],
HIS234CE12241[C], 5[P], 15[O], 1[N],
HIS234CG20413[O], 1[N], 5[P], 1[C],
GLU235N141[O],
GLU235CD342[O], 1[P],
GLU235OE2948[O], 1[P],
GLU235OE1141[O],
ARG237NE645[O], 1[P],
ARG237CZ841[N], 5[O], 2[P],
ARG237CG441[P], 3[O],
ARG237CD443[O], 1[P],
ARG237CB443[O], 1[P],
THR238OG1242[O],
LEU277CD2141[O],
ASP280OD2342[O], 1[P],
ASP280CB141[O],
ASP280CG141[O],
SER345O343[O],
SER345C141[O],
ASN346CB2941[N], 19[O], 1[C], 8[P],
ASN346C3346[N], 16[O], 6[P], 5[C],
ASN346OD13843[C], 8[P], 25[O], 2[N],
ASN346CA23414[O], 1[N], 7[P], 1[C],
ASN346CG3442[N], 21[O], 2[C], 9[P],
ASN346N545[O],
ASN346ND22144[P], 17[O],
ASN346O5848[N], 28[O], 10[P], 12[C],
LEU347C2444[O], 8[N], 12[C],
LEU347CB1348[N], 2[O], 3[C],
LEU347CA23411[C], 4[O], 8[N],
LEU347N1546[N], 7[O], 1[C], 1[P],
LEU347CG1041[C], 6[N], 3[O],
LEU347O29413[C], 11[N], 5[O],
LEU347CD22444[O], 9[N], 11[C],
ILE348N343[N],
ILE348O641[C], 1[O], 4[N],
ILE348C443[N], 1[O],
ILE348CA343[N],
THR349CB1742[P], 1[C], 13[O], 1[N],
THR349CA941[P], 1[C], 1[N], 6[O],
THR349O3041[P], 12[C], 9[N], 8[O],
THR349CG222414[O], 1[N], 1[C], 6[P],
THR349N541[P], 3[O], 1[N],
THR349C3349[N], 10[O], 13[C], 1[P],
THR349OG1941[P], 1[C], 7[O],
ASN350CB109421[N], 37[O], 10[P], 41[C],
ASN350CG116444[O], 21[N], 41[C], 10[P],
ASN350CA92428[O], 21[N], 9[P], 34[C],
ASN350ND2116441[C], 10[P], 21[N], 44[O],
ASN350OD1116441[C], 10[P], 44[O], 21[N],
ASN350C60429[C], 1[P], 9[O], 21[N],
ASN350N59417[C], 10[P], 17[N], 15[O],
ASN350O6341[P], 32[C], 21[N], 9[O],
ALA351N42420[N], 2[O], 20[C],
ALA351CA39419[N], 20[C],
ALA351CB2048[C], 12[N],
ALA351C28416[C], 12[N],
ALA351O27414[C], 13[N],
ILE352O641[C], 5[N],
ILE352C1044[C], 5[N], 1[O],
ILE352CA642[C], 4[N],
ILE352N1948[C], 11[N],
LYS353CG3844[N], 15[O], 5[P], 14[C],
LYS353CA2449[C], 1[P], 4[O], 10[N],
LYS353N1947[C], 1[P], 1[O], 10[N],
LYS353O24410[N], 1[O], 13[C],
LYS353CD55427[O], 5[N], 8[P], 15[C],
LYS353NZ64417[C], 10[P], 5[N], 32[O],
LYS353CE50428[O], 3[N], 8[P], 11[C],
LYS353CB36413[C], 4[P], 8[O], 11[N],
LYS353C37416[C], 1[P], 18[N], 2[O],
TYR354CA51427[C], 4[O], 20[N],
TYR354CZ115421[N], 43[O], 10[P], 41[C],
TYR354C36417[C], 19[N],
TYR354CE2115441[C], 10[P], 43[O], 21[N],
TYR354CG91425[O], 21[N], 40[C], 5[P],
TYR354CE1106435[O], 21[N], 9[P], 41[C],
TYR354CD2107436[O], 21[N], 9[P], 41[C],
TYR354CD190421[N], 25[O], 4[P], 40[C],
TYR354O36418[N], 18[C],
TYR354N49421[N], 3[O], 25[C],
TYR354CB68434[C], 13[O], 21[N],
THR355CB1042[C], 8[N],
THR355CG21347[C], 6[N],
THR355N27412[N], 15[C],
THR355C241[C], 1[N],
THR355CA1648[N], 8[C],
THR355OG1343[N],
THR355O241[N], 1[C],
PRO356CD442[C], 2[N],
VAL376CB343[N],
VAL376CG1544[N], 1[C],
VAL376O844[N], 4[C],
VAL376C444[N],
GLN377N242[N],
GLN377CA444[N],
GLN377O444[N],
GLN377C444[N],
ASP378CB21412[C], 9[N],
ASP378N1248[N], 4[C],
ASP378CG33417[C], 16[N],
ASP378O1043[C], 7[N],
ASP378OD240420[N], 20[C],
ASP378C1143[C], 8[N],
ASP378CA1244[C], 8[N],
ASP378OD130415[C], 15[N],
THR379C444[N],
THR379N646[N],
GLY380O1747[C], 10[N],
GLY380CA21410[C], 11[N],
GLY380C23412[N], 11[C],
GLY380N1648[C], 8[N],
ILE381CG222411[C], 10[N], 1[O],
ILE381C31415[N], 16[C],
ILE381CA26412[N], 14[C],
ILE381CG141417[N], 3[O], 21[C],
ILE381CB31413[N], 2[O], 16[C],
ILE381CD14647[O], 15[N], 24[C],
ILE381N28412[N], 16[C],
ILE381O31414[N], 17[C],
GLY382CA36417[C], 19[N],
GLY382N33416[C], 17[N],
GLY382O55420[N], 7[O], 28[C],
GLY382C52427[C], 20[N], 5[O],
ILE383CB5948[O], 20[N], 31[C],
ILE383CD169420[N], 10[O], 39[C],
ILE383N48424[C], 5[O], 19[N],
ILE383C23413[C], 1[O], 9[N],
ILE383CG168439[C], 9[O], 20[N],
ILE383CG263437[C], 17[N], 9[O],
ILE383O1045[C], 5[N],
ILE383CA52427[C], 7[O], 18[N],
ASN384N1347[C], 2[O], 4[N],
HIS387O1445[O], 9[C],
HIS387CB1548[C], 7[O],
HIS387ND1945[C], 4[O],
HIS387C441[C], 3[O],
HIS387CG443[O], 1[C],
HIS387CE1343[O],
LEU388O141[O],
LEU388CD2141[N],
LEU388CA141[O],
ARG390O22411[O], 11[C],
ARG390C1848[O], 10[C],
ARG390CA141[O],
LEU391CG76440[C], 4[P], 13[N], 19[O],
LEU391C6144[P], 25[C], 6[N], 26[O],
LEU391CB77434[C], 4[P], 27[O], 12[N],
LEU391CD288440[C], 4[P], 15[N], 29[O],
LEU391CA69428[O], 8[N], 4[P], 29[C],
LEU391O75427[C], 8[P], 32[O], 8[N],
LEU391CD179416[O], 20[N], 3[P], 40[C],
LEU391N32417[C], 3[N], 12[O],
THR392C20410[O], 6[C], 4[P],
THR392CG2542[C], 3[O],
THR392CA2744[P], 8[C], 15[O],
THR392O1443[P], 3[C], 8[O],
THR392CB644[O], 2[C],
THR392N33414[O], 1[N], 4[P], 14[C],
GLU393O3344[P], 9[C], 20[O],
GLU393C1447[O], 3[P], 4[C],
GLU393N1949[O], 7[C], 3[P],
GLU393CA745[O], 2[C],
ARG394C645[O], 1[C],
ARG394CA641[P], 5[O],
ARG394N545[O],
ARG394CB242[O],
ARG394O141[O],
ARG394CG141[O],
PHE395CA2545[P], 3[C], 17[O],
PHE395CE1141[O],
PHE395N23415[O], 4[C], 4[P],
PHE395CD1141[O],
PHE395O38411[C], 5[P], 22[O],
PHE395C4248[P], 12[C], 22[O],
TYR396CD12241[N], 11[O], 1[P], 9[C],
TYR396CZ2049[O], 11[C],
TYR396N42412[C], 6[P], 24[O],
TYR396CB39414[C], 4[P], 21[O],
TYR396CD22841[P], 12[C], 13[O], 2[N],
TYR396O7949[P], 25[C], 5[N], 40[O],
TYR396C65435[O], 2[N], 20[C], 8[P],
TYR396CA49417[C], 6[P], 26[O],
TYR396CG31415[C], 16[O],
TYR396CE11541[N], 6[O], 8[C],
TYR396CE223412[C], 10[O], 1[N],
ARG397CZ43414[C], 5[P], 1[N], 23[O],
ARG397CB70435[O], 5[N], 9[P], 21[C],
ARG397CA7245[N], 34[O], 8[P], 25[C],
ARG397NE6541[N], 35[O], 9[P], 20[C],
ARG397CG75421[C], 10[P], 42[O], 2[N],
ARG397N6048[P], 20[C], 1[N], 31[O],
ARG397C5444[N], 24[O], 6[P], 20[C],
ARG397CD71440[O], 1[N], 10[P], 20[C],
ARG397O37417[O], 20[C],
VAL398O3846[N], 12[O], 20[C],
VAL398N65428[C], 6[P], 8[N], 23[O],
VAL398CA52426[C], 8[N], 18[O],
VAL398CB63435[C], 11[N], 17[O],
VAL398CG268437[C], 16[O], 15[N],
VAL398CG148427[C], 9[N], 12[O],
VAL398C36420[C], 12[O], 4[N],
ASP399CB645[O], 1[C],
ASP399O845[O], 3[C],
ASP399OD1242[O],
ASP399CA1244[C], 8[O],
ASP399CG242[O],
ASP399C745[O], 2[C],
ASP399N27411[O], 16[C],
ASP399OD2141[O],
SER400O141[O],
SER400CB141[O],
SER400N444[O],
SER400OG342[O], 1[N],
ARG402C542[O], 1[N], 2[C],
ARG402O744[C], 2[O], 1[N],
ARG402CZ1549[C], 3[N], 3[O],
ARG402CA141[O],
ARG402CD644[C], 1[O], 1[N],
ARG402NE1145[C], 3[O], 3[N],
ARG402CG341[C], 1[O], 1[N],
SER403C242[O],
SER403CA141[O],
SER403CB641[N], 2[O], 3[C],
SER403O442[C], 2[O],
SER403OG542[C], 1[N], 2[O],
THR406OG1845[O], 1[P], 2[C],
THR406N341[P], 2[O],
THR406CA747[O],
THR406O2443[P], 8[C], 12[O], 1[N],
THR406C2045[C], 3[P], 11[O], 1[N],
THR406CG21041[P], 3[C], 6[O],
THR406CB841[P], 2[C], 5[O],
GLY407CA3348[C], 6[P], 1[N], 18[O],
GLY407C3241[N], 21[O], 5[P], 5[C],
GLY407O2641[N], 18[O], 2[C], 5[P],
GLY407N2445[C], 4[P], 14[O], 1[N],
GLY408N37423[O], 1[N], 6[C], 7[P],
GLY408CA4549[P], 7[C], 28[O], 1[N],
GLY408C46430[O], 1[N], 6[C], 9[P],
GLY408O3745[C], 9[P], 22[O], 1[N],
THR409O48431[O], 1[N], 9[P], 7[C],
THR409N52434[O], 1[N], 10[P], 7[C],
THR409CB3842[C], 10[P], 1[N], 25[O],
THR409CA4641[N], 32[O], 3[C], 10[P],
THR409CG23041[C], 7[P], 1[N], 21[O],
THR409OG14042[C], 9[P], 28[O], 1[N],
THR409C59435[O], 1[N], 10[P], 13[C],
GLY410N65410[P], 16[C], 38[O], 1[N],
GLY410O59436[O], 1[N], 13[C], 9[P],
GLY410CA73410[P], 20[C], 42[O], 1[N],
GLY410C6341[N], 39[O], 10[P], 13[C],
LEU411CG2549[P], 16[O],
LEU411C46430[O], 1[N], 5[C], 10[P],
LEU411O4445[C], 9[P], 1[N], 29[O],
LEU411N5941[N], 35[O], 10[P], 13[C],
LEU411CD120415[O], 5[P],
LEU411CA4641[N], 30[O], 10[P], 5[C],
LEU411CB4041[C], 10[P], 1[N], 28[O],
LEU411CD21643[P], 13[O],
GLY412CA5249[C], 10[P], 32[O], 1[N],
GLY412C53410[P], 12[C], 1[N], 30[O],
GLY412O4141[N], 26[O], 9[P], 5[C],
GLY412N58412[C], 10[P], 35[O], 1[N],
LEU413CG91434[O], 12[N], 36[C], 9[P],
LEU413CD276432[C], 8[P], 12[N], 24[O],
LEU413CD1105437[O], 20[N], 8[P], 40[C],
LEU413CA5644[N], 28[O], 15[C], 9[P],
LEU413CB79429[C], 9[P], 32[O], 9[N],
LEU413N67436[O], 5[N], 10[P], 16[C],
LEU413O1943[C], 4[P], 12[O],
LEU413C3145[P], 5[C], 21[O],
ALA414N34421[O], 8[P], 5[C],
ALA414CB2244[P], 3[C], 15[O],
ALA414O343[O],
ALA414C1044[P], 6[O],
ALA414CA2144[P], 3[C], 14[O],
ILE415CD11141[P], 10[O],
ILE415CG1646[O],
ILE415CA444[O],
ILE415C242[O],
ILE415N1248[O], 4[P],
ILE415CB646[O],
VAL416CA343[O],
VAL416CB941[P], 8[O],
VAL416CG21349[O], 4[P],
VAL416CG1141[O],
VAL416N747[O],
LEU427CD2141[O],
VAL429CG240420[C], 18[N], 2[O],
VAL429CB1347[C], 6[N],
VAL429CG11542[O], 6[N], 7[C],
GLN430O843[C], 5[N],
SER431OG32416[N], 16[C],
SER431CA542[C], 3[N],
SER431CB28412[N], 16[C],
LYS432O643[N], 3[C],
GLU433O341[N], 2[C],
GLU433C141[C],
GLU433CA141[C],
GLU433CG141[C],
GLU435C141[N],
GLU435O141[N],
GLY436O2048[C], 12[N],
GLY436N945[N], 4[C],
GLY436CA1748[C], 9[N],
GLY436C23412[N], 11[C],
SER437N28413[N], 15[C],
SER437CB42420[N], 22[C],
SER437O21410[N], 11[C],
SER437CA32416[N], 16[C],
SER437C22412[C], 10[N],
SER437OG46424[C], 20[N], 2[O],
THR438CA743[C], 4[N],
THR438O544[N], 1[C],
THR438C644[N], 2[C],
THR438N1547[C], 8[N],
PHE439CE161432[C], 20[N], 9[O],
PHE439CB18410[C], 8[N],
PHE439CZ75438[C], 3[P], 14[O], 20[N],
PHE439CD239418[C], 16[N], 5[O],
PHE439CE26943[P], 32[C], 14[O], 20[N],
PHE439CD146423[C], 3[O], 20[N],
PHE439CA545[N],
PHE439CG32416[C], 16[N],
PHE439N945[N], 4[C],
Total = 335



Download csv file of statistical distribution of contacts