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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: 32C_B_4(4QGG) / Model_30(4QGG/B) = [9.9] Download1398.2911.17MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN
Complex: 0YB_A_3(4GFD) / Model_5(4GFD/A) = [9.6] Download1475.4911.32MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN
Complex: 13Y_B_4(4HDC) / Model_35(4HDC/B) = [9.3] Download1296.787.18MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN
Complex: 32E_B_4(4QGH) / Model_29(4QGH/B) = [9.0] Download1582.9111.17MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN
Complex: 0Y5_A_3(4GSY) / Model_6(4GSY/A) = [8.9] Download1241.5111.32MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN
Consensus
[pKd Mean = 9.34]		-1398
(s=122)		10
(s=1)		MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN



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]
GLU26OE11141885[C], 1[F], 11[N], 17[O],
GLU26OE21231881[C], 17[O], 25[N],
GLU26CG1181[C],
GLU26CD78184[N], 16[O], 58[C],
PRO28CD3182[O], 1[N],
PRO28CG4182[N], 2[O],
ASP29CG15718109[C], 4[P], 1[S], 26[O], 17[N],
ASP29OD1181184[P], 1[S], 124[C], 1[F], 27[O], 24[N],
ASP29OD21781817[N], 27[O], 4[P], 1[S], 129[C],
LYS33CE47184[P], 28[C], 15[O],
LYS33CD15183[P], 12[O],
LYS33NZ80184[P], 55[C], 19[O], 2[N],
LYS33CG7186[O], 1[P],
THR34CG27185[O], 2[P],
THR34OG1141811[O], 3[P],
ARG56CD1181833[O], 1[N], 1[F], 80[C], 3[P],
ARG56CG65181[F], 20[O], 41[C], 3[P],
ARG56CZ35183[P], 17[C], 14[O], 1[F],
ARG56NE76181[N], 26[O], 1[F], 45[C], 3[P],
GLU57OE11161889[C], 1[F], 18[O], 8[N],
GLU57CG143182[F], 18[O], 2[N], 115[C], 1[B],
GLU57CD147182[F], 8[N], 18[O], 113[C], 1[B],
GLU57OE21781817[O], 22[N], 2[F], 1[B], 131[C],
PRO58CG2611817[N], 63[O], 4[F], 167[C], 3[P],
PRO58CD2891817[N], 66[O], 5[F], 3[P], 191[C],
GLU65CD9181[F], 8[O],
GLU65OE1311818[O], 1[F], 12[C],
GLU65OE211181[F], 10[O],
GLU65CG1181[F],
ILE67CD114181[B], 9[C], 3[F],
ILE67CG259183[F], 49[C],
ILE67CG122183[F], 12[C],
ARG68NE22718158[C], 3[P], 7[F], 1[N], 51[O],
ARG68CD214187[F], 46[O], 1[N], 3[P], 150[C],
ARG68CG222183[P], 158[C], 7[F], 1[N], 46[O],
ARG68CZ253184[P], 181[C], 6[F], 3[N], 53[O],
VAL70CG21181[F],
VAL70CG11181[F],
ILE71CD124418170[C], 21[N], 40[O], 6[F],
ILE71CG2365181[S], 260[C], 53[O], 37[N], 7[F],
ILE71CG11881815[N], 23[O], 6[F], 137[C],
LEU72CD2349181[S], 4[P], 244[C], 6[F], 25[N], 62[O],
LEU72CG299183[P], 1[S], 219[C], 54[O], 9[N], 6[F],
LEU72CD1284186[F], 4[N], 55[O], 208[C], 3[P], 1[S],
LYS75CG111811[C],
LYS75CE251820[C], 2[F], 3[O],
LYS75CD10182[F], 8[C],
LYS75NZ401828[C], 2[F], 7[O], 3[N],
MET79SD4183[C], 1[F],
MET79CE3181[F], 2[C],
GLU84CG156181[B], 90[C], 5[F], 24[O], 29[N],
GLU84CD161184[F], 40[N], 20[O], 96[C], 1[S],
GLU84OE21491822[O], 29[N], 3[F], 94[C], 1[S],
GLU84OE11651828[O], 40[N], 3[F], 93[C], 1[S],
LEU87CD213183[F], 1[B], 8[C],
LEU87CG13188[C], 1[B], 3[F],
LEU87CD113183[F], 8[C], 1[B],
TYR88CD24001847[N], 56[O], 7[F], 1[S], 282[C],
TYR88CG35318242[C], 45[N], 53[O], 6[F],
TYR88CE2457187[F], 48[N], 66[O], 326[C], 1[S], 2[P],
TYR88CD135818246[C], 1[S], 46[N], 52[O], 6[F],
TYR88CZ45618333[C], 1[S], 60[O], 48[N], 7[F],
TYR88CE14171846[N], 59[O], 6[F], 298[C], 1[S],
ARG92CD671847[C], 18[O], 2[N],
ARG92CG361818[C], 18[O],
ARG92CZ15918107[C], 1[F], 19[O], 32[N],
ARG92NE113181[F], 17[N], 18[O], 77[C],
HIS95ND11181[C],
CYS112SG7187[C],
ASP113OD226181[F], 15[O], 6[C], 4[P],
ASP113CG27184[P], 7[C], 1[F], 15[O],
ASP113OD1561816[O], 1[F], 35[C], 4[P],
ARG114CZ3031849[N], 54[O], 1[F], 194[C], 4[P], 1[S],
ARG114CD375181[S], 4[P], 256[C], 2[F], 62[O], 50[N],
ARG114CG3051848[N], 49[O], 1[F], 203[C], 4[P],
ARG114NE3661860[O], 50[N], 1[F], 250[C], 4[P], 1[S],
PHE115CD124184[O], 2[N], 18[C],
PHE115CD25181[O], 4[C],
PHE115CE15185[C],
PHE115CG27184[O], 2[N], 21[C],
VAL116CG29183[C], 6[O],
VAL116CG113187[O], 6[C],
SER118OG269181[F], 40[N], 49[O], 177[C], 2[P],
SER119OG1771834[O], 36[N], 1[F], 106[C],
TYR122CD1282181[F], 50[N], 47[O], 184[C],
TYR122CD2307181[F], 50[N], 50[O], 205[C], 1[S],
TYR122CE129418187[C], 4[P], 52[O], 50[N], 1[F],
TYR122CE229718197[C], 4[P], 1[S], 1[F], 50[N], 44[O],
TYR122CG298181[S], 198[C], 1[F], 48[O], 50[N],
TYR122CZ295184[P], 1[S], 193[C], 1[F], 46[O], 50[N],
GLN123OE123418145[C], 46[N], 42[O], 1[F],
GLN123NE2293183[F], 45[O], 47[N], 197[C], 1[S],
GLN123CD2331842[O], 46[N], 1[F], 144[C],
GLN123CG1641834[O], 36[N], 94[C],
ARG127CG281812[C], 14[O], 2[N],
ARG127CZ441822[C], 17[O], 5[N],
ARG127CD24187[C], 15[O], 2[N],
ARG127NE441816[O], 6[N], 22[C],
ILE129CD11181[O],
ILE134CG2261816[O], 10[N],
ASN138OD1321811[C], 16[O], 5[N],
ASN138CG221812[O], 10[C],
ASN138ND2251812[O], 2[N], 11[C],
ILE164CD112184[C], 1[P], 6[O], 1[F],
ILE164CG17185[O], 1[P], 1[C],
ILE164CG21181[O],
ARG168CD6185[O], 1[P],
ARG168CG4181[P], 3[O],
ARG168CZ16189[O], 4[C], 3[P],
ARG168NE11183[P], 8[O],
GLN171NE213183[N], 4[O], 5[C], 1[P],
GLN171CD12181[P], 4[C], 4[O], 3[N],
GLN171OE113181[P], 5[C], 3[N], 4[O],
GLN171CG9182[C], 1[P], 3[O], 3[N],
ASP173OD148181[F], 10[O], 4[N], 32[C], 1[P],
ASP173OD251181[P], 32[C], 5[N], 12[O], 1[F],
ASP173CG44181[P], 28[C], 1[F], 4[N], 10[O],
LEU175CG781848[C], 1[P], 1[F], 12[O], 16[N],
LEU175CD2741810[O], 15[N], 1[F], 48[C],
LEU175CD190181[F], 16[N], 16[O], 1[P], 56[C],
ASP176OD128181[N], 6[O], 21[C],
ASP176CG22181[N], 4[O], 17[C],
ASP176OD224181[F], 6[O], 1[N], 16[C],
GLU178CG12187[O], 4[C], 1[P],
GLU178OE2261813[O], 3[P], 10[C],
GLU178CD17187[O], 9[C], 1[P],
GLU178OE116186[O], 9[C], 1[P],
PHE182CE243188[N], 17[O], 18[C],
PHE182CD1241813[C], 7[O], 4[N],
PHE182CZ1441831[N], 19[O], 94[C],
PHE182CD210185[O], 3[N], 2[C],
PHE182CE1132181[S], 93[C], 19[N], 19[O],
HIS183CG7181[C], 3[N], 3[O],
HIS183NE217181[P], 7[C], 4[N], 5[O],
HIS183CD212185[C], 4[O], 3[N],
HIS183CE122186[O], 4[N], 12[C],
HIS183ND114185[C], 5[O], 4[N],
VAL186CG146186[O], 5[N], 35[C],
VAL186CG2611840[C], 16[O], 5[N],
TYR190CZ561842[C], 1[O], 13[N],
TYR190CE12182[C],
TYR190CE2111810[C], 1[O],
Total = 142



Download csv file of statistical distribution of contacts