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_6(3LZX) / Model_45(3LZX/B) = [12.1] Download436.2037.70MEIYDITIIGAGPVGMFAAFYAGMRQAKTKIIDSLPQLGGQLATLYPEKYIYDIPGYPAIKASELIDQLEKQLTTFNHTFHLKEEVLSLTREDEVIEITTNKGIHYSKAVILALGNGSFQPRKLNLDNAESFENHGLDYFVNDLMKYAGKKVAIAGGGDSAIDWTLMLEPIASEVYLIHRRPEFRAHEHSVSRLKSSSVNLLTPYLIDGLSGNNGELTDIRLKKVKSDETIDLMIDSLIVNYGFSSNLEHLSSWGLDSTRNAITVKSDMSTSIPGVYAAGDICTYEGKVKLIATGLGEAPTAVNNALHYINPKERTQPGHSTSLYDKNLRPS
Consensus
[pKd Mean = 12.10]		-436
(s=0)		37
(s=0)		MEIYDITIIGAGPVGMFAAFYAGMRQAKTKIIDSLPQLGGQLATLYPEKYIYDIPGYPAIKASELIDQLEKQLTTFNHTFHLKEEVLSLTREDEVIEITTNKGIHYSKAVILALGNGSFQPRKLNLDNAESFENHGLDYFVNDLMKYAGKKVAIAGGGDSAIDWTLMLEPIASEVYLIHRRPEFRAHEHSVSRLKSSSVNLLTPYLIDGLSGNNGELTDIRLKKVKSDETIDLMIDSLIVNYGFSSNLEHLSSWGLDSTRNAITVKSDMSTSIPGVYAAGDICTYEGKVKLIATGLGEAPTAVNNALHYINPKERTQPGHSTSLYDKNLRPS



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]
ILE8CG2111[O],
ILE9CD1914[N], 5[C],
ILE9CG11015[N], 5[C],
ILE9CG21415[N], 8[C], 1[O],
PRO13CG2012[P], 7[C], 1[N], 10[O],
PRO13CD21112[O], 7[C], 2[P],
VAL14CG21615[C], 9[O], 2[P],
VAL14CG1912[P], 5[O], 2[C],
MET16CG111[O],
ILE31CG2412[C], 1[N], 1[O],
ILE32CD1312[N], 1[C],
ILE32CG2814[C], 4[N],
ILE32CG1412[C], 2[N],
ASP33OD11814[N], 10[C], 4[O],
ASP33OD21418[C], 2[N], 4[O],
ASP33CG1814[N], 10[C], 4[O],
SER34OG1613[O], 8[C], 5[N],
LEU35CG1013[O], 5[C], 2[N],
LEU35CD1814[C], 1[N], 3[O],
LEU35CD2512[O], 3[C],
GLN37NE2111[O],
GLN37CG111[O],
LEU38CG111[O],
LEU38CD2211[C], 1[O],
GLN41CG32112[O], 1[N], 17[C], 2[P],
GLN41CD3112[P], 10[O], 17[C], 2[N],
GLN41OE13019[O], 16[C], 3[N], 2[P],
GLN41NE23212[P], 12[O], 2[N], 16[C],
LEU42CG2912[P], 8[O], 15[C], 4[N],
LEU42CD13312[P], 11[O], 16[C], 4[N],
LEU42CD22116[O], 11[C], 4[N],
THR44OG11013[C], 6[O], 1[P],
THR44CG2815[O], 3[C],
LEU45CG913[O], 6[C],
LEU45CD11311[P], 8[C], 4[O],
LEU45CD2414[C],
TYR46CE12716[O], 4[N], 17[C],
TYR46CD221114[C], 4[N], 3[O],
TYR46CZ2714[N], 17[C], 6[O],
TYR46CD12314[O], 15[C], 4[N],
TYR46CG1913[O], 3[N], 13[C],
TYR46CE225116[C], 4[N], 5[O],
LYS49CD212[C],
LYS49CE212[C],
LYS49CG514[C], 1[N],
ILE51CG21512[O], 9[C], 4[N],
ILE51CD11614[N], 9[C], 3[O],
ILE51CG11713[O], 4[N], 10[C],
TYR52CD2311[C], 1[N], 1[O],
TYR52CE2111[O],
TYR52CG211[C], 1[O],
ASP53CG1014[N], 4[C], 2[O],
ASP53OD11414[N], 8[C], 2[O],
ASP53OD21314[N], 7[C], 2[O],
ILE54CG2311[N], 1[C], 1[O],
ILE54CD1814[C], 2[N], 2[O],
ILE54CG1812[N], 4[C], 2[O],
PRO55CD111[O],
LEU65CD2311[C], 1[N], 1[O],
ILE66CG1111[O],
ILE66CD1414[O],
LEU69CD1111[O],
GLU84OE1111[C],
GLU84CG111[C],
GLU85OE11015[C], 5[N],
GLU85CD1115[C], 5[N], 1[O],
GLU85CG1315[N], 7[C], 1[O],
GLU85OE21015[N], 5[C],
VAL86CG21015[N], 5[C],
VAL86CG1814[C], 4[N],
LEU87CG212[N],
LEU87CD2311[C], 2[N],
ILE98CG2212[N],
THR100CG2512[C], 3[N],
THR100OG1111[N],
ASN101OD1211[C], 1[N],
LEU112CD2813[N], 5[C],
LEU112CG311[C], 2[N],
LEU112CD1111[N],
LEU114CG1915[N], 10[C], 4[O],
LEU114CD11519[C], 5[N], 1[O],
LEU114CD21914[O], 5[N], 10[C],
ASN116OD1512[O], 2[C], 1[P],
ASN116CG1015[O], 4[C], 1[P],
ASN116ND21711[P], 7[O], 9[C],
SER118OG1713[O], 5[N], 9[C],
PHE119CE11111[P], 5[O], 5[C],
PHE119CZ1518[O], 6[C], 1[P],
PHE119CD21817[C], 3[N], 7[O], 1[P],
PHE119CG1616[O], 7[C], 2[N], 1[P],
PHE119CE21611[P], 8[O], 1[N], 6[C],
PHE119CD11411[P], 6[C], 1[N], 6[O],
SER246OG512[O], 3[C],
LEU248CD1211[C], 1[N],
LEU248CG111[N],
GLU249OE2111[N],
GLU249OE1513[N], 2[C],
GLU249CG212[N],
GLU249CD412[N], 2[C],
HIS250CG111[N],
HIS250CD2111[N],
LEU251CD1613[C], 3[N],
LEU251CG512[N], 3[C],
LEU251CD2513[C], 2[N],
TRP254CZ2613[N], 3[C],
TRP254CZ3512[C], 3[N],
TRP254CE3211[C], 1[N],
TRP254NE1111[N],
TRP254CD2111[N],
TRP254CE2211[N], 1[C],
ASP281OD226110[O], 2[N], 12[C], 2[P],
ASP281OD12412[P], 11[O], 9[C], 2[N],
ASP281CG23110[O], 9[C], 2[N], 2[P],
ILE282CG1411[C], 1[N], 2[O],
ILE282CD1311[O], 1[C], 1[N],
ILE282CG2511[P], 1[C], 3[O],
CYS283SG111[O],
LYS288CE212[O],
LYS288NZ411[C], 3[O],
LYS290CE111[O],
LYS290CD611[O], 5[C],
LYS290CG615[C], 1[O],
LEU291CD21613[O], 4[N], 9[C],
LEU291CD1712[O], 2[N], 3[C],
LEU291CG1313[O], 7[C], 3[N],
ILE292CG21911[P], 3[N], 9[C], 6[O],
ILE292CD12517[O], 4[N], 14[C],
ILE292CG12711[P], 4[N], 12[C], 10[O],
THR294OG1212[O],
LEU296CD1111[O],
GLU298CD111[O],
GLU298OE1111[O],
Total = 132



Download csv file of statistical distribution of contacts