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_A_5(3AEB) / Model_42(3AEB/A) = [10.9] Download711.2017.25MGAINPKEDYSNIQNLTFDAVIVGGGGSGMRASYQLAQAGLKVAVLTKVFPTRSHTVAAQGGIGASLGNMQEDNWHFHFYDTVKGSDWLGDQDAIEFMCREAPKVVYELEHLGMPFDRNADGTIYQRPFGGHSANYGDKPVPRACAAADRTGHALLHTLYQSNVKMGTQFFVEWIALDLIRNEAGDVLGVTAIDQETGNIAVFQAKATLFATGGAGRVYRASTNAYINTGDGLGMAARAGIPLQDMEFWQFHPTGVAGAGVLLTEGCRGEGAILRNKDGEPFMERYAPTLKDLAPRDFVSRSMDQEIKEGRGCGPKGDYILLDMTHLGADTIMKRLPSVFEIGKKFANVDITKEPIPVVPTIHYQMGGIPTNMHGQVCLPEPGTDNYTKPVKGFYAIGECSCVSVHGANRLGTNSLLDLVVFGKAAGEHIIDYVTKHHGDEYAPLPTNVLEQTLARVRKLDESTSGENAQEVADAIRDIVQDHAGVFRTQALLDKGVKEILALEPRVRNIHLKDKSKVFNTARVEALEVENLYEVAKATLISAAARKECRGAHTVVDYELPADHPTYSYGRRDYEWMKHTLWYSSDNRLEYKPVRFKPLTVDPIPPAPRTF
Consensus
[pKd Mean = 10.90]		-711
(s=0)		17
(s=0)		MGAINPKEDYSNIQNLTFDAVIVGGGGSGMRASYQLAQAGLKVAVLTKVFPTRSHTVAAQGGIGASLGNMQEDNWHFHFYDTVKGSDWLGDQDAIEFMCREAPKVVYELEHLGMPFDRNADGTIYQRPFGGHSANYGDKPVPRACAAADRTGHALLHTLYQSNVKMGTQFFVEWIALDLIRNEAGDVLGVTAIDQETGNIAVFQAKATLFATGGAGRVYRASTNAYINTGDGLGMAARAGIPLQDMEFWQFHPTGVAGAGVLLTEGCRGEGAILRNKDGEPFMERYAPTLKDLAPRDFVSRSMDQEIKEGRGCGPKGDYILLDMTHLGADTIMKRLPSVFEIGKKFANVDITKEPIPVVPTIHYQMGGIPTNMHGQVCLPEPGTDNYTKPVKGFYAIGECSCVSVHGANRLGTNSLLDLVVFGKAAGEHIIDYVTKHHGDEYAPLPTNVLEQTLARVRKLDESTSGENAQEVADAIRDIVQDHAGVFRTQALLDKGVKEILALEPRVRNIHLKDKSKVFNTARVEALEVENLYEVAKATLISAAARKECRGAHTVVDYELPADHPTYSYGRRDYEWMKHTLWYSSDNRLEYKPVRFKPLTVDPIPPAPRTF



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]
VAL45CG1211[N], 1[O],
LEU46CG914[N], 5[C],
LEU46CD2714[C], 3[N],
LEU46CD1713[N], 4[C],
THR47OG118110[C], 4[N], 4[O],
THR47CG21216[C], 3[N], 3[O],
LYS48CE19110[C], 5[N], 4[O],
LYS48NZ1715[N], 10[C], 2[O],
LYS48CG1815[N], 10[C], 3[O],
LYS48CD1813[O], 10[C], 5[N],
VAL49CG11613[N], 9[C], 4[O],
VAL49CG21811[P], 5[O], 9[C], 3[N],
PRO51CD212[O],
PRO51CG312[O], 1[C],
SER54OG2019[O], 2[P], 7[C], 2[N],
HIS55CD230116[C], 3[N], 9[O], 2[P],
HIS55CE121113[C], 2[N], 1[P], 5[O],
HIS55NE22613[N], 15[C], 7[O], 1[P],
HIS55ND12311[P], 7[O], 1[N], 14[C],
HIS55CG2712[N], 15[C], 2[P], 8[O],
THR56CG22511[N], 10[C], 2[P], 12[O],
THR56OG11514[C], 2[P], 9[O],
VAL57CG1111[O],
GLN60OE1511[N], 4[C],
GLN60CD911[N], 7[C], 1[O],
GLN60CG1011[O], 1[N], 8[C],
GLN60NE21119[C], 1[N], 1[O],
ILE63CG2311[C], 1[N], 1[O],
ILE63CD1311[O], 1[N], 1[C],
ILE63CG1311[O], 1[N], 1[C],
PHE129CE1912[O], 3[N], 4[C],
PHE129CD2311[O], 1[N], 1[C],
PHE129CG211[O], 1[N],
PHE129CZ912[O], 3[N], 4[C],
PHE129CE2511[O], 1[N], 3[C],
PHE129CD1512[C], 1[N], 2[O],
ASP149OD1111[O],
THR151CG2913[N], 4[C], 2[O],
THR151OG1612[O], 1[N], 3[C],
LEU155CG111[O],
LEU155CD2813[C], 2[N], 3[O],
LEU156CG413[O], 1[P],
LEU156CD11112[C], 7[O], 2[P],
LEU156CD2811[C], 6[O], 1[P],
LEU159CD1111[O],
GLU173CG111[O],
TRP174CG211[C], 1[N],
ILE175CD1513[C], 2[N],
ILE175CG1814[C], 4[N],
ILE175CG21015[N], 5[C],
LEU177CG212[N],
LEU177CD2111[N],
VAL190CG2211[C], 1[N],
GLN195NE2613[N], 3[C],
THR212CG22116[O], 5[N], 10[C],
THR212OG12115[N], 10[C], 1[P], 5[O],
SER222OG111[C],
THR223CG2818[C],
THR223OG11119[C], 2[N],
ASN224OD12111[N], 14[C], 5[O], 1[P],
ASN224ND2918[C], 1[O],
ASN224CG1412[O], 1[N], 11[C],
ILE227CG11516[O], 1[P], 6[C], 2[N],
ILE227CG2611[O], 2[N], 3[C],
ILE227CD11712[N], 7[C], 1[P], 7[O],
ASN228CG1618[C], 7[O], 1[P],
ASN228OD12512[P], 9[O], 2[N], 12[C],
ASN228ND21615[O], 1[P], 10[C],
THR229CG2211[C], 1[N],
THR229OG1814[C], 4[N],
ASP231OD11715[N], 10[C], 2[O],
ASP231CG1311[O], 7[C], 5[N],
ASP231OD21015[C], 5[N],
MET235SD814[N], 4[C],
MET235CG412[N], 2[C],
MET235CE513[C], 2[N],
GLN250OE1614[C], 2[N],
GLN250CD111[C],
HIS252NE2413[C], 1[N],
HIS252CD2111[C],
HIS252CG817[C], 1[N],
HIS252CE11312[N], 10[C], 1[O],
HIS252ND11512[N], 12[C], 1[O],
VAL261CG1111[C],
LEU262CD11412[N], 11[C], 1[O],
LEU262CG14111[C], 2[N], 1[O],
LEU262CD21711[O], 4[N], 12[C],
THR264CG2111[O],
THR264OG1712[N], 4[C], 1[O],
ARG296NE512[N], 3[C],
ARG296CZ1412[O], 8[C], 4[N],
HIS363ND119114[C], 3[N], 2[O],
HIS363NE224116[C], 4[N], 4[O],
HIS363CD222115[C], 4[N], 3[O],
HIS363CG1812[O], 13[C], 3[N],
HIS363CE12214[N], 15[C], 3[O],
TYR364CE2812[N], 5[C], 1[O],
TYR364CE12016[O], 1[P], 11[C], 2[N],
TYR364CD2815[C], 2[N], 1[O],
TYR364CD121113[C], 2[N], 6[O],
TYR364CG1512[N], 11[C], 2[O],
TYR364CZ1416[C], 2[N], 6[O],
ILE397CD1212[O],
ILE397CG1311[P], 2[O],
GLU399OE124111[C], 1[N], 2[P], 10[O],
GLU399CG1811[N], 6[C], 9[O], 2[P],
GLU399CD2219[C], 1[N], 10[O], 2[P],
GLU399OE22011[N], 10[C], 2[P], 7[O],
CYS400SG412[O], 1[C], 1[N],
SER401OG111[O],
HIS406CE1312[O], 1[N],
HIS406CD2111[O],
HIS406NE2212[O],
HIS406ND1111[O],
ARG410CZ2214[N], 13[C], 5[O],
ARG410CG814[C], 2[N], 2[O],
ARG410NE1914[O], 4[N], 11[C],
ARG410CD1317[C], 3[N], 3[O],
THR413OG1612[O], 2[N], 2[C],
THR413CG2913[N], 4[C], 2[O],
ASN414OD1211[O], 1[C],
ASN414ND2111[O],
ASN414CG211[O], 1[C],
SER415OG2611[P], 9[O], 4[N], 12[C],
LEU416CD12014[O], 12[C], 4[N],
LEU416CD22711[P], 8[O], 4[N], 14[C],
LEU416CG23113[C], 4[N], 6[O],
LEU417CG111[O],
ASP418OD21015[C], 4[O], 1[P],
ASP418CG412[O], 2[C],
LEU419CD22312[P], 11[O], 3[N], 7[C],
LEU419CG2012[P], 11[O], 6[C], 1[N],
LEU419CD122111[O], 2[P], 2[N], 7[C],
LEU527CD1111[N],
GLU528OE2814[C], 4[N],
GLU528CG513[C], 2[N],
GLU528CD512[N], 3[C],
ASN531OD1111[N],
ASN531ND2613[N], 3[C],
ASN531CG312[N], 1[C],
Total = 140



Download csv file of statistical distribution of contacts