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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: FDA_A_3(4N5F) / Model_112(4N5F/A) = [9.8] Download2198.3417.67MQFTEEQLLIRDMAKSFAQEQIKPNASDWDRDGTFPKETLTQMGQLGFMGMLVSEEWGGSDTGNLAYVLALEEVAAADGATSTIMSVHNSVGCVPILKFGTDEQKERFLKPLAQGEMIGAFALTEPHTGSDAAAIKTRAVKDGDDYILNGAKQFITSGNNAGVIIVFAVTDPSAGKKGISAFLVPRETPGYEVIRVEEKLGLHASDTCQIALTDVRIHKSLMLGKEGEGLKIALANLEGGRIGIAAQAVGLARAALEEATRYAKERITFGKPIFEHQTIAFRLASMATEIEAARQLVHYAARFKEVGQPCLNEASMAKLFASEMTERVCSSALQVFGGYGYLRDFPIERIYRDARICQIYEGTSDIQRLVIARSL
Complex: FAD_A_9(1BUC) / Model_126(1BUC/A) = [9.7] Download942.9619.65MQFTEEQLLIRDMAKSFAQEQIKPNASDWDRDGTFPKETLTQMGQLGFMGMLVSEEWGGSDTGNLAYVLALEEVAAADGATSTIMSVHNSVGCVPILKFGTDEQKERFLKPLAQGEMIGAFALTEPHTGSDAAAIKTRAVKDGDDYILNGAKQFITSGNNAGVIIVFAVTDPSAGKKGISAFLVPRETPGYEVIRVEEKLGLHASDTCQIALTDVRIHKSLMLGKEGEGLKIALANLEGGRIGIAAQAVGLARAALEEATRYAKERITFGKPIFEHQTIAFRLASMATEIEAARQLVHYAARFKEVGQPCLNEASMAKLFASEMTERVCSSALQVFGGYGYLRDFPIERIYRDARICQIYEGTSDIQRLVIARSL
Complex: CAA_E_5(1JQI) / Model_5(1JQI/A) = [5.5] Download2447.9728.74MQFTEEQLLIRDMAKSFAQEQIKPNASDWDRDGTFPKETLTQMGQLGFMGMLVSEEWGGSDTGNLAYVLALEEVAAADGATSTIMSVHNSVGCVPILKFGTDEQKERFLKPLAQGEMIGAFALTEPHTGSDAAAIKTRAVKDGDDYILNGAKQFITSGNNAGVIIVFAVTDPSAGKKGISAFLVPRETPGYEVIRVEEKLGLHASDTCQIALTDVRIHKSLMLGKEGEGLKIALANLEGGRIGIAAQAVGLARAALEEATRYAKERITFGKPIFEHQTIAFRLASMATEIEAARQLVHYAARFKEVGQPCLNEASMAKLFASEMTERVCSSALQVFGGYGYLRDFPIERIYRDARICQIYEGTSDIQRLVIARSL
Consensus
[pKd Mean = 8.33]		-1863
(s=658)		22
(s=4)		MQFTEEQLLIRDMAKSFAQEQIKPNASDWDRDGTFPKETLTQMGQLGFMGMLVSEEWGGSDTGNLAYVLALEEVAAADGATSTIMSVHNSVGCVPILKFGTDEQKERFLKPLAQGEMIGAFALTEPHTGSDAAAIKTRAVKDGDDYILNGAKQFITSGNNAGVIIVFAVTDPSAGKKGISAFLVPRETPGYEVIRVEEKLGLHASDTCQIALTDVRIHKSLMLGKEGEGLKIALANLEGGRIGIAAQAVGLARAALEEATRYAKERITFGKPIFEHQTIAFRLASMATEIEAARQLVHYAARFKEVGQPCLNEASMAKLFASEMTERVCSSALQVFGGYGYLRDFPIERIYRDARICQIYEGTSDIQRLVIARSL



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]
THR83CG2433[C], 1[O],
THR83O131[C],
THR83CB131[C],
VAL87CG1432[O], 2[C],
VAL87CA131[C],
VAL87N131[C],
VAL87CG2834[C], 1[N], 3[O],
VAL87CB332[O], 1[C],
VAL91CG2431[S], 3[C],
VAL91CG1131[C],
ALA120C131[O],
PHE121CD11032[O], 2[N], 5[C], 1[S],
PHE121CB1234[O], 2[N], 1[S], 5[C],
PHE121O2035[N], 4[O], 10[C], 1[S],
PHE121N632[N], 2[O], 2[C],
PHE121CE2432[N], 1[O], 1[C],
PHE121CZ432[O], 1[C], 1[S],
PHE121C1032[N], 4[O], 4[C],
PHE121CG1231[S], 5[C], 2[N], 4[O],
PHE121CD2632[O], 2[N], 2[C],
PHE121CE11032[N], 1[O], 1[S], 6[C],
PHE121CA1034[O], 2[N], 4[C],
ALA122C632[O], 2[N], 2[C],
ALA122O232[O],
ALA122N1034[O], 2[N], 4[C],
ALA122CA934[C], 3[O], 2[N],
ALA122CB232[O],
LEU123CG932[O], 1[N], 5[C], 1[S],
LEU123C932[O], 4[N], 3[C],
LEU123CA933[C], 4[N], 2[O],
LEU123CD1232[O],
LEU123O232[O],
LEU123CB1232[O], 5[N], 1[S], 4[C],
LEU123N1231[S], 5[C], 2[O], 4[N],
LEU123CD21133[O], 1[N], 1[S], 6[C],
THR124CG24032[P], 15[O], 5[N], 1[S], 17[C],
THR124N1334[N], 2[O], 6[C], 1[S],
THR124C632[N], 2[O], 2[C],
THR124CB3037[N], 7[O], 16[C],
THR124OG13436[N], 9[O], 19[C],
THR124CA1437[C], 5[N], 2[O],
THR124O632[O], 2[N], 2[C],
GLU125O232[O],
PRO126O232[O],
HIS127O232[O],
HIS127C131[O],
THR128O333[O],
THR128CA232[O],
THR128N232[O],
THR128C635[O], 1[P],
GLY129CA3139[C], 4[P], 1[N], 17[O],
GLY129N1832[C], 12[O], 4[P],
GLY129C30310[C], 4[P], 2[N], 14[O],
GLY129O28312[C], 12[O], 2[N], 2[P],
SER130OG4734[P], 16[O], 6[N], 21[C],
SER130N3334[P], 2[N], 16[O], 11[C],
SER130CB4234[P], 5[N], 16[O], 17[C],
SER130C1736[C], 7[O], 4[N],
SER130O1837[O], 2[N], 9[C],
SER130CA32311[C], 13[O], 4[N], 4[P],
ASP131CA331[O], 1[N], 1[C],
ASP131OD1232[O],
ASP131N933[C], 3[N], 3[O],
ASP131C331[O], 1[N], 1[C],
ASP131O131[O],
ALA132C232[O],
ALA132CA634[C], 1[O], 1[N],
ALA132CB1136[C], 3[O], 2[N],
ALA132N935[C], 3[O], 1[N],
ALA133CB531[P], 4[O],
ALA133N431[P], 3[O],
ALA133CA232[O],
GLN153O25314[C], 8[N], 3[O],
GLN153C1337[C], 1[O], 5[N],
PHE154CB4138[N], 3[O], 30[C],
PHE154O39326[C], 8[N], 5[O],
PHE154C34322[C], 8[N], 4[O],
PHE154CE226314[C], 8[O], 2[N], 2[P],
PHE154CE11239[C], 3[O],
PHE154CD12232[N], 2[O], 18[C],
PHE154CD234321[C], 4[N], 7[O], 2[P],
PHE154CA3137[N], 1[O], 23[C],
PHE154CG36326[C], 4[O], 6[N],
PHE154N933[N], 6[C],
PHE154CZ1439[C], 1[P], 4[O],
ILE155N2337[N], 2[O], 14[C],
ILE155O633[C], 2[O], 1[N],
ILE155C1532[O], 4[N], 9[C],
ILE155CG2832[N], 2[O], 4[C],
ILE155CD11637[C], 4[O], 5[N],
ILE155CG11133[N], 3[O], 5[C],
ILE155CA22312[C], 3[O], 7[N],
ILE155CB932[O], 3[N], 4[C],
THR156N23315[C], 2[O], 6[N],
THR156C531[N], 2[O], 2[C],
THR156CA1534[N], 2[O], 9[C],
THR156OG13233[O], 6[N], 23[C],
THR156O632[N], 2[O], 2[C],
THR156CG21339[C], 2[O], 2[N],
THR156CB2034[N], 3[O], 13[C],
SER157N232[O],
LYS176CD1137[O], 2[P], 2[C],
LYS176CG632[C], 1[P], 3[O],
LYS176CE1333[C], 2[P], 8[O],
LYS176NZ1439[O], 2[P], 3[C],
LYS176CB432[O], 1[P], 1[C],
LYS177CE331[P], 2[O],
LYS177CG131[O],
LYS177NZ332[O], 1[P],
LYS177CD131[O],
LYS199CB232[C],
LYS199CG232[C],
LYS199NZ333[C],
LYS199CD939[C],
LYS199CE434[C],
LEU202CB131[C],
LEU202CD1232[C],
THR207OG111310[C], 1[N],
THR207CB10310[C],
THR207CA333[C],
THR207CG220318[C], 2[N],
LEU230O431[O], 2[N], 1[C],
LEU230CD1835[O], 3[C],
LEU230CB231[C], 1[O],
LEU230C131[O],
LEU230CG733[C], 3[O], 1[N],
LEU230CD21232[P], 5[O], 1[N], 4[C],
LYS231CE331[C], 2[N],
LYS231CG633[N], 3[C],
LYS231CD231[C], 1[N],
LYS231CA834[C], 1[O], 3[N],
LYS231N432[C], 1[N], 1[O],
LYS231O733[N], 4[C],
LYS231C432[C], 2[N],
LYS231CB733[C], 1[O], 3[N],
LEU234N332[C], 1[N],
LEU234CA935[C], 4[N],
LEU234C734[C], 3[N],
LEU234CD122312[C], 4[O], 5[N], 1[P],
LEU234CB1235[N], 1[O], 6[C],
LEU234CD22036[N], 4[O], 10[C],
LEU234O532[C], 3[N],
LEU234CG1638[C], 5[N], 3[O],
ALA235N834[N], 4[C],
ALA235C232[N],
ALA235CA533[C], 2[N],
ALA235CB432[N], 2[C],
LEU237CD2931[N], 2[O], 1[S], 5[C],
LEU237CD11136[C], 1[S], 2[O], 2[N],
LEU237CB432[C], 2[O],
LEU237CG831[S], 4[C], 2[O], 1[N],
GLU238OE2131[N],
GLU238CA131[N],
GLU238CB131[N],
GLU238CD131[N],
GLU238N131[N],
GLU238CG131[N],
GLU238OE1332[N], 1[C],
ARG241CZ731[N], 2[O], 4[C],
ARG241NE332[O], 1[C],
ARG241CD131[O],
ILE244CG1232[C],
ILE244CD1332[C], 1[O],
LEU311CA131[N],
LEU311CD1533[N], 2[C],
LEU311CG533[N], 2[C],
LEU311CD2733[N], 4[C],
LEU311CB231[N], 1[C],
ILE356CG112312[C],
ILE356CD113313[C],
ILE356CB434[C],
ILE356CG2131[C],
ILE359CB836[C], 2[O],
ILE359CG22339[O], 1[P], 13[C],
ILE359CA434[C],
ILE359C1438[C], 6[O],
ILE359O1738[C], 9[O],
TYR360CD1932[O], 7[C],
TYR360CA3338[O], 2[N], 23[C],
TYR360CG3034[N], 4[O], 22[C],
TYR360C1836[O], 11[C], 1[S],
TYR360CE218315[C], 1[O], 2[N],
TYR360CD226320[C], 2[O], 4[N],
TYR360CB42332[C], 6[O], 4[N],
TYR360CZ931[O], 8[C],
TYR360O634[O], 2[C],
TYR360CE1332[C], 1[O],
TYR360N2036[O], 14[C],
GLU361OE2734[C], 1[S], 2[O],
GLU361CB1331[N], 4[O], 1[S], 7[C],
GLU361CG1033[O], 6[C], 1[S],
GLU361N2637[O], 3[N], 1[S], 15[C],
GLU361O835[C], 2[O], 1[N],
GLU361CD734[C], 1[S], 2[O],
GLU361OE1732[O], 4[C], 1[S],
GLU361C1431[S], 7[C], 5[O], 1[N],
GLU361CA1531[N], 6[O], 1[S], 7[C],
GLY362C834[C], 4[O],
GLY362O131[O],
GLY362N1931[N], 6[O], 1[S], 11[C],
GLY362CA1335[O], 2[N], 6[C],
THR363CB1737[O], 10[C],
THR363CA936[C], 3[O],
THR363OG122314[C], 2[N], 6[O],
THR363C232[O],
THR363N1135[O], 6[C],
THR363CG23634[P], 16[O], 16[C],
THR363O232[O],
SER364C232[O],
SER364N232[O],
ASP365CB2436[N], 4[O], 14[C],
ASP365O131[C],
ASP365CA732[N], 2[O], 3[C],
ASP365N331[C], 2[O],
ASP365OD22836[N], 6[O], 16[C],
ASP365C431[C], 2[O], 1[N],
ASP365CG21311[C], 5[N], 5[O],
ASP365OD11135[C], 4[O], 2[N],
ILE366CD11134[O], 1[N], 6[C],
ILE366C131[C],
ILE366CB735[C], 1[N], 1[O],
ILE366CA131[C],
ILE366CG11133[O], 1[N], 7[C],
ILE366CG21138[C], 2[O], 1[N],
ILE366O131[C],
ILE366N232[O],
GLN367NE2131[O],
LEU369CD11436[N], 8[C],
LEU369CG532[C], 3[N],
LEU369CB131[C],
LEU369CD2533[N], 2[C],
VAL370CG1131[C],
VAL370CG2531[O], 4[C],
VAL370CB131[C],
VAL370N131[C],
VAL370CA131[C],
ARG373CD231[O], 1[C],
ARG373NE734[C], 2[O], 1[P],
ARG373CZ1135[O], 2[P], 4[C],
Total = 239



Download csv file of statistical distribution of contacts