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 :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: FAD_B_2(1HSK) / Model_2(1HSK/A) = [14.4] Download425.7540.00MNKEEIVESLATITILFDEPLMNYTFTKTGGPADVLAFPKKQEEVKQIIDYCRIHDIPWMVLGNASNLIVQDGGIRGVVIMLTEMKQIHVKGTMVIAEAGASLIDTTYAALAESLTGFEFACGIPGSVGGAVYMNAGAYGGEIKDVFAEVDLLLEDGTLKTLTKDEMVFSYRHSKVQELRAIVLEARFSLQTGDYEAIKARMDELTELRQSKQPLEYPSCGSVFKRPVGHYTGQLIQQAGLQGLKWGGAQVSEKHAGFIVNIDHATATDYIELIAHIQEVIKEKFDVSLETEVRIIGEKQAISETSRSLAN
Consensus
[pKd Mean = 14.40]		-425
(s=0)		40
(s=0)		MNKEEIVESLATITILFDEPLMNYTFTKTGGPADVLAFPKKQEEVKQIIDYCRIHDIPWMVLGNASNLIVQDGGIRGVVIMLTEMKQIHVKGTMVIAEAGASLIDTTYAALAESLTGFEFACGIPGSVGGAVYMNAGAYGGEIKDVFAEVDLLLEDGTLKTLTKDEMVFSYRHSKVQELRAIVLEARFSLQTGDYEAIKARMDELTELRQSKQPLEYPSCGSVFKRPVGHYTGQLIQQAGLQGLKWGGAQVSEKHAGFIVNIDHATATDYIELIAHIQEVIKEKFDVSLETEVRIIGEKQAISETSRSLAN



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]
THR25CG2311[P], 2[O],
PHE26CE1912[O], 7[C],
PHE26CG1211[P], 8[C], 3[O],
PHE26CE213110[C], 2[O], 1[N],
PHE26CD21413[O], 1[N], 10[C],
PHE26CZ911[O], 8[C],
PHE26CD1712[O], 5[C],
THR27CG2411[O], 3[C],
MET60CE412[C], 2[O],
MET60SD1314[O], 2[N], 7[C],
MET60CG713[C], 1[N], 3[O],
VAL61CG11915[N], 5[O], 9[C],
VAL61CG21518[C], 2[O], 5[N],
LEU62CD12119[O], 2[N], 2[P], 8[C],
LEU62CG2119[O], 2[N], 2[P], 8[C],
LEU62CD2815[O], 1[P], 2[C],
ASN64ND21312[P], 2[C], 8[O], 1[N],
ASN64CG1012[P], 2[C], 6[O],
ASN64OD1715[O], 2[P],
SER66OG32110[O], 3[N], 2[P], 17[C],
ASN67CG32112[O], 2[N], 2[P], 16[C],
ASN67OD13113[N], 9[O], 17[C], 2[P],
ASN67ND229114[C], 2[P], 11[O], 2[N],
LEU68CD22212[P], 8[C], 10[O], 2[N],
LEU68CG1811[N], 8[O], 2[P], 7[C],
LEU68CD11217[O], 4[C], 1[P],
VAL70CG2212[O],
ILE80CG2111[N],
MET81CE111[O],
MET81CG111[O],
MET81SD511[C], 1[P], 1[N], 2[O],
LEU82CD21417[C], 2[O], 5[N],
LEU82CD1814[N], 4[C],
LEU82CG1015[N], 5[C],
THR83CG2212[O],
MET85CE111[N],
MET85SD111[N],
LEU103CD2914[O], 2[N], 3[C],
LEU103CD1111[O],
LEU103CG211[O], 1[C],
PHE120CD1511[N], 2[O], 2[C],
PHE120CE1512[C], 1[N], 2[O],
ILE124CD11814[N], 4[O], 10[C],
ILE124CG121112[C], 4[N], 5[O],
ILE124CG22717[O], 4[N], 15[C], 1[P],
PRO125CD28117[C], 4[N], 7[O],
PRO125CG2716[O], 4[N], 17[C],
SER127OG2512[P], 9[C], 9[O], 5[N],
VAL128CG1111[N],
VAL132CG1512[C], 3[N],
VAL132CG2312[N], 1[C],
TYR133CE22116[O], 4[N], 1[P], 10[C],
TYR133CD12015[O], 5[N], 10[C],
TYR133CE11814[N], 4[O], 10[C],
TYR133CZ1814[O], 4[N], 10[C],
TYR133CG25111[C], 1[P], 5[N], 8[O],
TYR133CD227113[C], 1[P], 9[O], 4[N],
MET134CE1916[O], 3[N], 10[C],
MET134SD23111[C], 1[P], 9[O], 2[N],
MET134CG30114[C], 2[P], 11[O], 3[N],
ASN135OD1111[O],
ASN135CG111[O],
TYR139CE1511[O], 2[N], 2[C],
TYR139CG111[O],
TYR139CD1311[N], 1[O], 1[C],
TYR139CE2111[O],
TYR139CZ211[C], 1[O],
TYR139CD2111[O],
GLU142CG111[O],
GLU142OE2111[O],
ILE143CD1212[O],
ILE143CG1312[O], 1[C],
VAL150CG1311[C], 2[N],
LEU152CD1111[N],
LEU152CG513[N], 2[C],
LEU152CD2512[C], 3[N],
ARG172NE1417[C], 3[O], 4[N],
ARG172CD1112[O], 3[N], 6[C],
ARG172CG512[N], 2[O], 1[C],
ARG172CZ1316[C], 4[N], 3[O],
SER174OG211[N], 1[C],
VAL176CG2814[C], 4[N],
VAL176CG11713[O], 5[N], 9[C],
GLN177NE2714[C], 3[O],
GLN177CD512[O], 3[C],
GLN177OE1412[C], 2[O],
GLN177CG611[N], 2[O], 3[C],
ILE182CD1713[N], 4[C],
ILE182CG21015[C], 5[N],
ILE182CG11014[C], 1[O], 5[N],
VAL183CG21115[N], 6[C],
VAL183CG1814[C], 4[N],
LEU184CG212[N],
LEU184CD2312[N], 1[C],
ARG209CD1011[O], 1[N], 8[C],
ARG209CG816[C], 1[O], 1[N],
ARG209CZ1712[O], 4[N], 11[C],
ARG209NE1311[O], 3[N], 9[C],
GLN213CD14111[C], 2[N], 1[O],
GLN213OE11511[O], 3[N], 11[C],
GLN213NE214110[C], 3[N], 1[O],
GLN213CG816[C], 1[O], 1[N],
PRO214CD313[C],
PRO214CG313[C],
LEU215CD1313[C],
LEU215CG616[C],
LEU215CD2918[C], 1[N],
SER219OG818[C],
CYS220SG414[C],
SER222OG18112[C], 2[O], 4[N],
PHE258CZ15112[C], 2[N], 1[O],
PHE258CG818[C],
PHE258CD1918[C], 1[N],
PHE258CE213111[C], 2[N],
PHE258CD21018[C], 2[N],
PHE258CE11112[N], 9[C],
VAL260CG1111[C],
GLU292OE1111[O],
VAL293CG2211[O], 1[C],
ARG294CG513[C], 2[O],
ARG294CD813[O], 5[C],
ARG294NE1014[O], 1[N], 5[C],
ARG294CZ1115[C], 4[O], 2[N],
ILE296CD1815[C], 3[O],
ILE296CG1412[C], 2[O],
ILE296CG2412[O], 2[C],
Total = 126



Download csv file of statistical distribution of contacts