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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: NAI_A_4(4CV3) / Model_52(4CV3/A) = [9.7] Download1628.9833.97MQFRKTLNIGIMLKIVLSEIGMTQGLLAGKRFLTAGVASKLSIAYGIAQALHREGAELAFTYPNEKLKKRVDEFAEQFGSKLVFPCDVAVDAEIDNAFAELAKHWDGVDGVVHSIGFAPAHTLDGDFTDVTDRDGFKIAHDISAYSFVAMARAAKPLLQARQGCLLTLTYQGSERVMPNYNVMGMAKASLEAGVRYLASSLGVDGIRVNAISAGPIRTLAASGIKSFRKMLDANEKVAPLKRNVTIEEVGNAALFLCSPWASGITGEILYVDAGFNTVGMSQSMMDDE
Complex: NAD_C_8(5I9M) / Model_78(5I9M/C) = [9.6] Download1478.2334.75MQFRKTLNIGIMLKIVLSEIGMTQGLLAGKRFLTAGVASKLSIAYGIAQALHREGAELAFTYPNEKLKKRVDEFAEQFGSKLVFPCDVAVDAEIDNAFAELAKHWDGVDGVVHSIGFAPAHTLDGDFTDVTDRDGFKIAHDISAYSFVAMARAAKPLLQARQGCLLTLTYQGSERVMPNYNVMGMAKASLEAGVRYLASSLGVDGIRVNAISAGPIRTLAASGIKSFRKMLDANEKVAPLKRNVTIEEVGNAALFLCSPWASGITGEILYVDAGFNTVGMSQSMMDDE
Complex: 0WE_C_8(4RLH) / Model_106(4RLH/C) = [7.5] Download1202.2237.14MQFRKTLNIGIMLKIVLSEIGMTQGLLAGKRFLTAGVASKLSIAYGIAQALHREGAELAFTYPNEKLKKRVDEFAEQFGSKLVFPCDVAVDAEIDNAFAELAKHWDGVDGVVHSIGFAPAHTLDGDFTDVTDRDGFKIAHDISAYSFVAMARAAKPLLQARQGCLLTLTYQGSERVMPNYNVMGMAKASLEAGVRYLASSLGVDGIRVNAISAGPIRTLAASGIKSFRKMLDANEKVAPLKRNVTIEEVGNAALFLCSPWASGITGEILYVDAGFNTVGMSQSMMDDE
Consensus
[pKd Mean = 8.93]		-1436
(s=176)		35
(s=1)		MQFRKTLNIGIMLKIVLSEIGMTQGLLAGKRFLTAGVASKLSIAYGIAQALHREGAELAFTYPNEKLKKRVDEFAEQFGSKLVFPCDVAVDAEIDNAFAELAKHWDGVDGVVHSIGFAPAHTLDGDFTDVTDRDGFKIAHDISAYSFVAMARAAKPLLQARQGCLLTLTYQGSERVMPNYNVMGMAKASLEAGVRYLASSLGVDGIRVNAISAGPIRTLAASGIKSFRKMLDANEKVAPLKRNVTIEEVGNAALFLCSPWASGITGEILYVDAGFNTVGMSQSMMDDE



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]
ALA35C232[O],
ALA35O232[O],
GLY36O32316[O], 4[P], 12[C],
GLY36N1638[C], 6[O], 2[N],
GLY36CA2334[N], 9[O], 10[C],
GLY36C23310[C], 11[O], 2[P],
VAL37N834[O], 4[C],
VAL37CA433[O], 1[C],
VAL37C1037[O], 3[C],
VAL37O632[C], 4[O],
VAL37CB131[O],
ALA38CA1434[C], 8[O], 2[P],
ALA38N1636[C], 8[O], 2[P],
ALA38CB2038[C], 2[P], 10[O],
ALA38C434[O],
SER39N232[O],
SER39CA232[O],
SER39O232[O],
SER39CB232[O],
SER39OG232[O],
LEU41C434[O],
LEU41O731[P], 6[O],
SER42O434[O],
SER42N936[O], 3[P],
SER42CA1634[P], 12[O],
SER42C1431[C], 4[P], 9[O],
SER42CB1734[P], 13[O],
SER42OG22312[O], 4[P], 6[C],
ILE43CG13232[P], 9[O], 4[N], 17[C],
ILE43CB2133[N], 2[P], 8[O], 8[C],
ILE43N1932[C], 4[P], 13[O],
ILE43O131[O],
ILE43CD138322[C], 10[O], 2[P], 4[N],
ILE43CG21034[C], 6[O],
ILE43CA1232[C], 2[P], 8[O],
ILE43C332[O], 1[C],
ALA44CA232[O],
ALA44CB232[O],
ALA44N632[C], 3[O], 1[P],
TYR62O232[C],
TYR62C331[O], 1[N], 1[C],
PRO63CB2533[O], 8[N], 14[C],
PRO63CA1235[C], 5[N], 2[O],
PRO63O231[C], 1[N],
PRO63N832[O], 3[N], 3[C],
PRO63C332[N], 1[C],
PRO63CG2634[O], 6[N], 16[C],
PRO63CD1639[C], 3[N], 4[O],
ASN64ND2131[O],
LEU67CG232[O],
LEU67CD1633[O], 3[C],
LEU67CD2131[O],
LEU67CB131[O],
CYS86O1335[N], 8[C],
CYS86CB232[C],
CYS86SG131[C],
CYS86C834[C], 4[N],
CYS86CA331[N], 2[C],
ASP87O834[N], 4[C],
ASP87OD11337[C], 6[N],
ASP87CB834[N], 4[C],
ASP87OD2634[N], 2[C],
ASP87C1135[C], 6[N],
ASP87N834[C], 4[N],
ASP87CG1036[C], 4[N],
ASP87CA1236[C], 6[N],
VAL88CG11336[N], 7[C],
VAL88N1438[C], 6[N],
VAL88CA1135[C], 6[N],
VAL88CG21739[N], 8[C],
VAL88C834[C], 4[N],
VAL88O333[N],
VAL88CB1337[C], 6[N],
ALA89CA534[N], 1[C],
ALA89N834[C], 4[N],
ALA89CB532[C], 3[N],
HIS113O432[O], 2[C],
HIS113CE1232[O],
HIS113C131[O],
HIS113ND1232[O],
SER114CB1436[C], 8[O],
SER114N632[O], 4[C],
SER114C28316[C], 12[O],
SER114OG2332[P], 10[O], 11[C],
SER114O3834[P], 15[O], 2[N], 17[C],
SER114CA1337[C], 6[O],
ILE115O1637[O], 9[C],
ILE115C3037[O], 4[N], 19[C],
ILE115CD118310[C], 2[O], 6[N],
ILE115CG228316[C], 10[N], 2[O],
ILE115CB28316[C], 8[N], 4[O],
ILE115CG13137[N], 5[O], 19[C],
ILE115CA36323[C], 5[N], 8[O],
ILE115N25314[C], 1[N], 10[O],
GLY116N3935[N], 10[O], 24[C],
GLY116O41327[C], 8[O], 6[N],
GLY116CA29318[C], 6[O], 5[N],
GLY116C30319[C], 6[O], 5[N],
PHE117CE1831[O], 2[N], 5[C],
PHE117CB1739[C], 7[N], 1[O],
PHE117O332[N], 1[C],
PHE117CD11338[C], 1[O], 4[N],
PHE117CE2331[N], 1[O], 1[C],
PHE117CZ633[C], 2[N], 1[O],
PHE117CA1137[C], 4[N],
PHE117C634[C], 2[N],
PHE117CG1236[C], 1[O], 5[N],
PHE117CD2734[N], 1[O], 2[C],
PHE117N1332[O], 5[N], 6[C],
ALA118CB432[N], 2[C],
ALA118CA633[C], 2[N], 1[O],
ALA118C732[N], 1[O], 4[C],
ALA118O1132[N], 1[O], 8[C],
ALA118N835[C], 2[N], 1[O],
PRO119CA331[C], 1[O], 1[N],
PRO119N532[C], 2[N], 1[O],
PRO119O331[C], 1[O], 1[N],
PRO119C432[C], 1[N], 1[O],
ALA120C231[O], 1[C],
ALA120N531[N], 1[O], 3[C],
ALA120CB531[N], 1[O], 3[C],
ALA120CA631[O], 1[N], 4[C],
LEU123O434[C],
LEU123CB1031[N], 9[C],
LEU123CG13310[C], 1[O], 2[N],
LEU123CD112310[C], 2[N],
LEU123CD21732[O], 2[N], 13[C],
LEU123CA232[C],
LEU123C232[C],
ILE142CD11034[C], 6[N],
ILE142CG21839[N], 9[C],
ILE142O131[C],
ILE142CG1935[N], 4[C],
ILE142CB1035[C], 5[N],
ILE142CA331[C], 2[N],
THR167OG1232[O],
LEU168CG18312[C], 2[N], 4[O],
LEU168CD2934[O], 5[C],
LEU168O20312[C], 2[N], 6[O],
LEU168CD11137[C], 2[N], 2[O],
LEU168C20312[C], 6[O], 2[N],
LEU168N834[O], 4[C],
LEU168CB24316[C], 2[N], 6[O],
LEU168CA1532[N], 4[O], 9[C],
THR169O20313[C], 2[N], 5[O],
THR169N1236[C], 2[N], 4[O],
THR169CA1133[O], 2[N], 6[C],
THR169C1332[N], 3[O], 8[C],
TYR170CE11531[N], 2[O], 12[C],
TYR170N1131[O], 2[N], 8[C],
TYR170CE21631[N], 2[O], 13[C],
TYR170CD21631[N], 1[O], 14[C],
TYR170C232[C],
TYR170CA1032[N], 1[O], 7[C],
TYR170CB2133[N], 3[O], 15[C],
TYR170CD119313[C], 3[N], 3[O],
TYR170CZ1231[N], 11[C],
TYR170CG18314[C], 3[N], 1[O],
GLN171N131[C],
MET177C131[C],
MET177CB232[C],
MET177O232[C],
PRO178N131[C],
PRO178C232[C],
PRO178CA131[C],
ASN179CB434[C],
ASN179N434[C],
ASN179ND2232[C],
ASN179CA434[C],
ASN179O535[C],
ASN179CG232[C],
ASN179C636[C],
TYR180CD2831[O], 7[C],
TYR180CG12310[C], 2[O],
TYR180CB737[C],
TYR180CZ17312[C], 1[N], 4[O],
TYR180CE121316[C], 1[N], 4[O],
TYR180CD117314[C], 2[O], 1[N],
TYR180C333[C],
TYR180CA636[C],
TYR180O333[C],
TYR180N636[C],
TYR180CE2631[N], 1[O], 4[C],
ASN181N131[C],
MET183SD931[N], 3[O], 5[C],
MET183CG931[N], 3[O], 5[C],
MET183CE1634[O], 2[N], 10[C],
MET183CB631[O], 5[C],
LYS187CD1035[C], 5[O],
LYS187NZ23314[C], 7[O], 2[N],
LYS187CG333[O],
LYS187CE2437[O], 3[N], 14[C],
LEU190CD2232[O],
ILE211O333[C],
SER212CA131[C],
SER212C434[C],
ALA213CB1332[N], 11[C],
ALA213C931[O], 8[C],
ALA213O1532[O], 2[N], 11[C],
ALA213N731[N], 6[C],
ALA213CA737[C],
GLY214C1032[O], 8[C],
GLY214N434[C],
GLY214CA531[O], 4[C],
GLY214O17313[C], 2[N], 2[O],
PRO215CG432[C], 2[O],
PRO215N1139[C], 2[O],
PRO215C1132[N], 2[O], 7[C],
PRO215CD532[O], 3[C],
PRO215CB932[O], 7[C],
PRO215CA1632[O], 2[N], 12[C],
PRO215O531[N], 2[O], 2[C],
ILE216CG2632[C], 2[O], 2[N],
ILE216CG11338[C], 2[N], 3[O],
ILE216C833[O], 2[N], 3[C],
ILE216O1136[C], 3[O], 2[N],
ILE216CD11036[C], 2[N], 2[O],
ILE216CB1236[C], 2[N], 4[O],
ILE216N1238[C], 2[O], 2[N],
ILE216CA1036[C], 2[N], 2[O],
ARG217CA231[O], 1[N],
ARG217N331[O], 1[N], 1[C],
ARG217C131[N],
THR218CA835[O], 2[P], 1[N],
THR218C731[N], 2[P], 4[O],
THR218CB1131[C], 1[N], 7[O], 2[P],
THR218N531[C], 3[O], 1[N],
THR218O333[O],
THR218CG21131[N], 2[P], 6[O], 2[C],
THR218OG11534[C], 8[O], 2[P], 1[N],
LEU219O232[O],
LEU219N634[O], 2[P],
LEU219C433[O], 1[P],
LEU219CB431[P], 3[O],
LEU219CD1332[O], 1[P],
LEU219CA433[O], 1[P],
LEU219CG331[P], 2[O],
ALA220O931[O], 8[C],
ALA220N932[P], 6[O], 1[C],
ALA220C933[O], 2[P], 4[C],
ALA220CA1336[O], 2[P], 5[C],
ALA220CB1738[C], 2[P], 7[O],
ALA221N831[N], 3[O], 2[P], 2[C],
ALA221CB431[C], 2[O], 1[N],
ALA221CA531[N], 1[O], 3[C],
ILE224CG21039[C], 1[O],
ILE224CA232[C],
ILE224CG115314[C], 1[O],
ILE224CB1031[O], 9[C],
ILE224CD11931[O], 18[C],
SER226CB131[C],
SER226OG434[C],
PHE227CG434[C],
PHE227CD11032[O], 8[C],
PHE227CZ835[C], 1[N], 2[O],
PHE227CD2131[C],
PHE227CE2231[C], 1[O],
PHE227CE11332[O], 2[N], 9[C],
MET230CB232[C],
MET230SD131[C],
MET230CG333[C],
MET230CE535[C],
Total = 262



Download csv file of statistical distribution of contacts