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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: T5A_A_2(4TMK) / Model_8(4TMK/A) = [11.6] Download1948.7213.37MFISFEGTEGVGKTTLIRKIHQHFEEQGKQVVLTREPGGTPLAEQIRSMLLAVNHDENMSHDTELLLIYAARAQHLQQVILPALESNKIVLSDRFTDASFAYQCSGRGLSQDKLQLLNQNFVSRMPEVTFWLDAPIELGMNRARERGALDRFEQEKLSFFTKVREGYETLWKAEPERIKRLDATQSPDQVFEQALQYLA
Complex: Z5A_A_2(5TMP) / Model_9(5TMP/A) = [11.2] Download2228.6117.00MFISFEGTEGVGKTTLIRKIHQHFEEQGKQVVLTREPGGTPLAEQIRSMLLAVNHDENMSHDTELLLIYAARAQHLQQVILPALESNKIVLSDRFTDASFAYQCSGRGLSQDKLQLLNQNFVSRMPEVTFWLDAPIELGMNRARERGALDRFEQEKLSFFTKVREGYETLWKAEPERIKRLDATQSPDQVFEQALQYLA
Complex: T05_B_4(4HLC) / Model_48(4HLC/B) = [7.3] Download1204.4613.23MFISFEGTEGVGKTTLIRKIHQHFEEQGKQVVLTREPGGTPLAEQIRSMLLAVNHDENMSHDTELLLIYAARAQHLQQVILPALESNKIVLSDRFTDASFAYQCSGRGLSQDKLQLLNQNFVSRMPEVTFWLDAPIELGMNRARERGALDRFEQEKLSFFTKVREGYETLWKAEPERIKRLDATQSPDQVFEQALQYLA
Complex: 0DJ_B_4(3UWO) / Model_29(3UWO/B) = [7.1] Download478.8516.47MFISFEGTEGVGKTTLIRKIHQHFEEQGKQVVLTREPGGTPLAEQIRSMLLAVNHDENMSHDTELLLIYAARAQHLQQVILPALESNKIVLSDRFTDASFAYQCSGRGLSQDKLQLLNQNFVSRMPEVTFWLDAPIELGMNRARERGALDRFEQEKLSFFTKVREGYETLWKAEPERIKRLDATQSPDQVFEQALQYLA
Complex: 31Z_B_4(4QGA) / Model_45(4QGA/B) = [7.0] Download1341.2410.65MFISFEGTEGVGKTTLIRKIHQHFEEQGKQVVLTREPGGTPLAEQIRSMLLAVNHDENMSHDTELLLIYAARAQHLQQVILPALESNKIVLSDRFTDASFAYQCSGRGLSQDKLQLLNQNFVSRMPEVTFWLDAPIELGMNRARERGALDRFEQEKLSFFTKVREGYETLWKAEPERIKRLDATQSPDQVFEQALQYLA
Consensus
[pKd Mean = 8.84]		-1440
(s=611)		14
(s=2)		MFISFEGTEGVGKTTLIRKIHQHFEEQGKQVVLTREPGGTPLAEQIRSMLLAVNHDENMSHDTELLLIYAARAQHLQQVILPALESNKIVLSDRFTDASFAYQCSGRGLSQDKLQLLNQNFVSRMPEVTFWLDAPIELGMNRARERGALDRFEQEKLSFFTKVREGYETLWKAEPERIKRLDATQSPDQVFEQALQYLA



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]
GLU6OE199111[F], 19[N], 64[C], 15[O],
GLU6CG2112[C],
GLU6CD58113[N], 44[C], 11[O],
GLU6OE2701111[N], 11[O], 48[C],
THR8CG210113[N], 2[O], 5[C],
THR8OG110111[P], 1[C], 1[N], 7[O],
GLU9OE21561111[P], 1[S], 15[N], 53[O], 75[C], 1[F],
GLU9OE11361112[P], 11[N], 59[C], 52[O], 1[S], 1[F],
GLU9CG1341113[P], 12[N], 59[C], 49[O], 1[S],
GLU9CD145111[F], 12[P], 14[N], 62[C], 55[O], 1[S],
VAL11CG234116[P], 22[O], 2[N], 4[C],
VAL11CG115112[C], 10[O], 3[P],
LYS13NZ103112[N], 47[O], 41[C], 13[P],
LYS13CG40112[C], 29[O], 9[P],
LYS13CE711113[P], 15[C], 43[O],
LYS13CD451111[P], 34[O],
THR14OG153112[N], 10[C], 33[O], 8[P],
THR14CG222115[P], 16[O], 1[C],
THR15OG139112[P], 12[O], 10[N], 15[C],
THR15CG215111[P], 2[O], 7[C], 5[N],
LEU16CD21111[O],
ILE17CG15114[O], 1[P],
ILE17CD110119[O], 1[P],
ARG18NE1111[O],
ARG18CZ2112[O],
ARG35CD64118[P], 25[C], 30[O], 1[F],
ARG35CZ46119[P], 28[O], 8[C], 1[F],
ARG35CG35111[F], 19[O], 9[C], 6[P],
ARG35NE49119[P], 28[O], 11[C], 1[F],
GLU36OE2581141[C], 6[N], 10[O],
GLU36CD661151[C], 3[N], 11[O],
GLU36OE1711111[N], 11[O], 49[C],
GLU36CG66112[N], 52[C], 11[O],
PRO37CG198111[F], 115[C], 22[N], 54[O], 5[P],
PRO37CD211111[F], 118[C], 24[N], 60[O], 7[P],
GLU44OE22112[O],
GLU44CD2112[O],
GLU44OE17114[O], 3[C],
ILE46CG14113[C],
ILE46CG2121111[C],
ILE46CD13113[C],
ARG47CG891128[O], 53[C], 5[P], 2[F],
ARG47CZ143115[N], 45[O], 81[C], 9[P], 2[F],
ARG47NE106118[P], 54[C], 1[N], 40[O], 2[F],
ARG47CD88112[F], 6[P], 34[O], 45[C],
LEU50CD2139111[F], 1[S], 28[O], 82[C], 26[N],
LEU50CG129111[F], 1[S], 79[C], 22[O], 25[N],
LEU50CD1149111[F], 25[N], 92[C], 29[O], 1[S],
LEU51CD1159112[F], 7[P], 90[C], 11[N], 47[O], 1[S],
LEU51CG160112[F], 1[S], 13[N], 43[O], 93[C], 7[P],
LEU51CD2196112[F], 1[S], 23[N], 51[O], 110[C], 8[P],
GLU64CG821118[O], 40[C], 22[N], 1[F],
GLU64CD76111[F], 38[C], 12[O], 24[N], 1[S],
GLU64OE171111[F], 22[N], 15[O], 32[C], 1[S],
GLU64OE274111[S], 36[C], 14[O], 22[N], 1[F],
LEU65CG9117[O], 2[N],
LEU65CD1401111[N], 14[O], 15[C],
LEU67CG2112[C],
LEU67CD22112[C],
LEU67CD12112[C],
ILE68CD11831126[N], 31[O], 122[C], 1[S], 2[F],
ILE68CG21371124[N], 84[C], 27[O], 1[F],
ILE68CG1160111[F], 26[N], 30[O], 102[C],
TYR69CE122115[N], 6[C], 11[O],
TYR69CG111111[O],
TYR69CD2101110[O],
TYR69CZ16114[C], 1[N], 11[O],
TYR69CE2121110[O], 2[C],
TYR69CD1201111[O], 3[N], 6[C],
ARG72CG221111[C], 11[O],
ARG72NE681111[O], 13[N], 44[C],
ARG72CZ921122[N], 11[O], 59[C],
ARG72CD431130[C], 2[N], 11[O],
SER92OG6116[C],
ASP93OD262111[F], 44[O], 4[C], 13[P],
ASP93CG591114[P], 40[O], 4[C], 1[F],
ASP93OD1871113[P], 31[C], 42[O], 1[F],
ARG94CZ230111[F], 1[S], 118[C], 66[O], 32[N], 12[P],
ARG94NE250111[F], 12[P], 129[C], 33[N], 74[O], 1[S],
ARG94CD244111[S], 32[N], 131[C], 68[O], 11[P], 1[F],
ARG94CG224111[F], 11[P], 28[N], 121[C], 63[O],
PHE95CD118112[N], 11[C], 5[O],
PHE95CD26111[O], 5[C],
PHE95CG23112[N], 6[O], 15[C],
PHE95CE15115[C],
THR96OG119112[N], 7[O], 10[C],
THR96CG214119[O], 5[C],
SER99OG1111124[N], 67[C], 20[O],
TYR102CE2197111[F], 5[P], 44[O], 113[C], 33[N], 1[S],
TYR102CE1194111[F], 33[N], 114[C], 44[O], 2[P],
TYR102CZ204111[F], 6[P], 1[S], 33[N], 47[O], 116[C],
TYR102CD11871133[N], 113[C], 40[O], 1[F],
TYR102CD219111114[C], 33[N], 42[O], 1[S], 1[F],
TYR102CG191111[S], 33[N], 117[C], 39[O], 1[F],
GLN103OE11381126[N], 83[C], 28[O], 1[F],
GLN103CG991155[C], 24[N], 20[O],
GLN103NE21661131[O], 30[N], 103[C], 1[S], 1[F],
GLN103CD136111[F], 26[N], 28[O], 81[C],
ARG107CG15113[N], 4[C], 8[O],
ARG107CD8118[O],
ARG107NE18116[C], 10[O], 2[N],
ARG107CZ14112[C], 10[O], 2[N],
LEU114CD211116[O], 3[N], 2[C],
ASN118CG5113[O], 2[C],
ASN118ND25113[O], 2[C],
ASN118OD16113[C], 3[O],
LEU132CD19112[P], 6[O], 1[N],
LEU132CG2112[O],
LEU138CG19119[C], 10[N],
LEU138CD216118[C], 8[N],
LEU138CD118118[C], 10[N],
MET140SD1111[O],
MET140CG1111[N],
ARG142CG411120[C], 10[N], 10[O], 1[P],
ARG142NE38118[O], 10[N], 20[C],
ARG142CZ341110[N], 7[O], 17[C],
ARG142CD441110[N], 20[C], 11[O], 3[P],
GLU145CG10112[N], 4[O], 4[C],
GLU145CD17115[O], 6[N], 6[C],
GLU145OE27113[C], 4[N],
GLU145OE128116[N], 6[O], 16[C],
ARG146CZ721112[P], 45[O], 1[N], 14[C],
ARG146CD56112[N], 34[O], 10[C], 10[P],
ARG146NE61111[N], 12[C], 38[O], 10[P],
ARG146CG39117[P], 21[O], 1[N], 10[C],
ASP150OD1104118[P], 36[O], 9[N], 50[C], 1[F],
ASP150CG106111[F], 8[P], 10[N], 38[O], 49[C],
ASP150OD2124119[P], 55[C], 11[N], 48[O], 1[F],
ARG151CZ3113[O],
ARG151CG2111[O], 1[C],
PHE152CE11391127[N], 26[O], 86[C],
PHE152CG145111[F], 27[N], 30[O], 86[C], 1[P],
PHE152CD1134111[F], 23[O], 27[N], 83[C],
PHE152CD2155111[F], 5[P], 33[O], 89[C], 27[N],
PHE152CE2150111[F], 27[N], 31[O], 90[C], 1[P],
PHE152CZ1501127[N], 33[O], 89[C], 1[F],
GLU153CG61117[N], 19[O], 32[C], 3[P],
GLU153CD60117[N], 18[O], 31[C], 4[P],
GLU153OE172117[P], 30[C], 7[N], 28[O],
GLU153OE239111[F], 7[N], 20[C], 11[O],
GLU155CD9111[P], 5[O], 2[C], 1[N],
GLU155CG15111[P], 7[O], 4[C], 3[N],
GLU155OE13112[O], 1[P],
GLU155OE213114[C], 7[O], 2[P],
PHE159CE160111[S], 34[C], 14[O], 11[N],
PHE159CD26111[N], 1[C], 4[O],
PHE159CG2112[N],
PHE159CZ741114[O], 19[N], 41[C],
PHE159CE2381111[O], 9[N], 18[C],
PHE159CD112113[C], 3[N], 6[O],
PHE160CZ39117[N], 22[C], 9[O], 1[P],
PHE160CE1421128[C], 7[N], 7[O],
PHE160CG7111[C], 3[O], 3[N],
PHE160CE224119[C], 7[N], 7[O], 1[P],
PHE160CD210114[O], 3[N], 3[C],
PHE160CD127116[O], 6[N], 15[C],
VAL163CG2341112[O], 4[N], 18[C],
VAL163CG1361110[O], 20[C], 6[N],
TYR167CE28111[O], 7[C],
TYR167CZ501114[N], 36[C],
PRO187CD9114[N], 5[C],
PRO187CG14116[N], 8[C],
VAL190CG12112[N],
VAL190CG22112[N],
PHE191CE12112[N],
PHE191CZ3112[N], 1[C],
PHE191CE21111[N],
Total = 167



Download csv file of statistical distribution of contacts