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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: COA_B_11(3OTW) / Model_76(3OTW/B) = [9.1] Download1361.7826.80MSKTSVIYPGTFDPITNGHVDLVTRASRMFDEVVVAIAIGHHKNPLFSLEERVALAQSSLGHLSNVEFVGFDGLLVNFFKEQKATAVLRGLRAVSDFEYEFQLANMNRQLDPHFEAVFLTPSEQYSFISSTLIREIARLKGDVTKFVPQAVVEAFERKHQQGW
Complex: COD_J_10(1B6T) / Model_52(1B6T/B) = [8.9] Download1724.0225.63MSKTSVIYPGTFDPITNGHVDLVTRASRMFDEVVVAIAIGHHKNPLFSLEERVALAQSSLGHLSNVEFVGFDGLLVNFFKEQKATAVLRGLRAVSDFEYEFQLANMNRQLDPHFEAVFLTPSEQYSFISSTLIREIARLKGDVTKFVPQAVVEAFERKHQQGW
Complex: ANP_B_12(3X1K) / Model_47(3X1K/B) = [7.8] Download1183.1414.86MSKTSVIYPGTFDPITNGHVDLVTRASRMFDEVVVAIAIGHHKNPLFSLEERVALAQSSLGHLSNVEFVGFDGLLVNFFKEQKATAVLRGLRAVSDFEYEFQLANMNRQLDPHFEAVFLTPSEQYSFISSTLIREIARLKGDVTKFVPQAVVEAFERKHQQGW
Complex: ACO_C_17(3X1J) / Model_48(3X1J/C) = [7.5] Download1987.6022.38MSKTSVIYPGTFDPITNGHVDLVTRASRMFDEVVVAIAIGHHKNPLFSLEERVALAQSSLGHLSNVEFVGFDGLLVNFFKEQKATAVLRGLRAVSDFEYEFQLANMNRQLDPHFEAVFLTPSEQYSFISSTLIREIARLKGDVTKFVPQAVVEAFERKHQQGW
Complex: ATP_B_6(1GN8) / Model_51(1GN8/B) = [7.0] Download875.7416.50MSKTSVIYPGTFDPITNGHVDLVTRASRMFDEVVVAIAIGHHKNPLFSLEERVALAQSSLGHLSNVEFVGFDGLLVNFFKEQKATAVLRGLRAVSDFEYEFQLANMNRQLDPHFEAVFLTPSEQYSFISSTLIREIARLKGDVTKFVPQAVVEAFERKHQQGW
Consensus
[pKd Mean = 8.06]		-1426
(s=392)		21
(s=4)		MSKTSVIYPGTFDPITNGHVDLVTRASRMFDEVVVAIAIGHHKNPLFSLEERVALAQSSLGHLSNVEFVGFDGLLVNFFKEQKATAVLRGLRAVSDFEYEFQLANMNRQLDPHFEAVFLTPSEQYSFISSTLIREIARLKGDVTKFVPQAVVEAFERKHQQGW



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]
TYR8CG4396[N], 14[O], 23[C],
TYR8CD176915[N], 2[P], 25[O], 34[C],
TYR8CZ116925[N], 6[P], 34[O], 51[C],
TYR8CD248910[N], 21[C], 16[O], 1[P],
TYR8CE1105934[O], 46[C], 5[P], 20[N],
TYR8CE293921[N], 6[P], 44[C], 22[O],
PRO9CG9797[N], 6[P], 49[C], 35[O],
PRO9CD7592[N], 44[C], 27[O], 2[P],
THR11CG212593[N], 68[O], 34[C], 20[P],
THR11OG1167920[P], 59[C], 78[O], 1[S], 9[N],
PHE12CD297914[N], 45[O], 26[C], 12[P],
PHE12CD194912[P], 44[O], 29[C], 9[N],
PHE12CE2103945[O], 32[C], 12[P], 14[N],
PHE12CZ104945[O], 37[C], 12[P], 10[N],
PHE12CG8397[N], 13[P], 18[C], 45[O],
PHE12CE110799[N], 12[P], 45[O], 41[C],
ASP13OD21491[S], 1[C], 10[O], 2[P],
ASP13CG1691[P], 1[C], 14[O],
ASP13OD1594[O], 1[P],
PRO14CD1493[C], 10[O], 1[S],
ILE15CD1491[P], 3[O],
ILE15CG1896[O], 1[C], 1[N],
THR16OG18793[P], 36[C], 21[O], 27[N],
THR16CG272926[C], 22[O], 5[P], 1[S], 18[N],
HIS19NE2201922[P], 63[C], 84[O], 1[S], 31[N],
HIS19CE118791[S], 70[O], 64[C], 21[P], 31[N],
HIS19CG144930[N], 47[O], 57[C], 10[P],
HIS19ND1157911[P], 53[O], 63[C], 30[N],
HIS19CD2169918[P], 60[C], 59[O], 1[S], 31[N],
ASP21OD11699[C], 7[N],
ASP21OD221910[C], 11[N],
ASP21CG21913[N], 8[C],
LEU22CD282913[O], 43[C], 26[N],
LEU22CG80925[N], 11[O], 44[C],
LEU22CD183915[O], 42[C], 26[N],
ARG25CD191[C],
ARG25CZ391[N], 2[C],
ARG25NE292[C],
VAL35CG1291[O], 1[N],
ILE37CD1393[O],
ILE37CG21093[C], 7[O],
ILE37CG1393[O],
HIS41CE1191[O],
HIS41NE2191[O],
HIS41CD2191[O],
HIS42ND129918[C], 5[O], 6[N],
HIS42CG493[O], 1[N],
HIS42CE14296[N], 2[P], 24[C], 10[O],
HIS42CD21497[O], 4[C], 3[N],
HIS42NE24193[P], 11[O], 21[C], 6[N],
LYS43CE124916[P], 61[O], 39[C], 8[N],
LYS43CG63933[O], 19[C], 9[P], 2[N],
LYS43NZ147950[C], 70[O], 17[P], 10[N],
LYS43CD104953[O], 31[C], 15[P], 5[N],
PRO45CD191[O],
PRO45CG191[O],
ARG52CD494[O],
ARG52CZ292[O],
ARG52NE292[O],
PHE71CE16196[N], 13[O], 42[C],
PHE71CD14096[N], 7[O], 27[C],
PHE71CE272946[C], 17[O], 9[N],
PHE71CZ75910[N], 46[C], 19[O],
PHE71CD249930[C], 10[O], 9[N],
PHE71CG3895[N], 10[O], 23[C],
LEU74CG4994[S], 9[O], 27[C], 9[N],
LEU74CD249927[C], 9[O], 5[S], 8[N],
LEU74CD14698[O], 26[C], 4[S], 8[N],
LEU75CG86910[N], 5[S], 55[C], 16[O],
LEU75CD17892[S], 51[C], 15[O], 10[N],
LEU75CD291910[N], 56[C], 20[O], 5[S],
VAL76CG23394[N], 15[C], 9[O], 5[S],
VAL76CG1695[O], 1[C],
ASN77ND2393[O],
ASN77CG393[O],
PHE78CG191[C],
PHE78CD2291[O], 1[C],
PHE79CE11991[N], 11[C], 7[O],
PHE79CD1791[C], 6[O],
PHE79CG292[O],
PHE79CE223913[C], 9[O], 1[S],
PHE79CD2797[O],
PHE79CZ35921[C], 11[O], 3[N],
VAL87CG2191[O],
VAL87CG1995[C], 4[O],
LEU88CD1493[O], 1[N],
LEU88CD2592[N], 2[O], 1[C],
LEU88CG1492[N], 6[O], 6[C],
ARG89NE151910[N], 14[P], 67[O], 60[C],
ARG89CG68929[O], 36[C], 3[N],
ARG89CD124949[O], 54[C], 12[P], 9[N],
ARG89CZ180916[P], 69[C], 81[O], 14[N],
LEU91CG27915[C], 8[O], 4[N],
LEU91CD1393[O],
LEU91CD22894[N], 15[C], 9[O],
ARG92CG92926[N], 2[P], 41[C], 23[O],
ARG92CD12991[S], 37[O], 55[C], 7[P], 29[N],
ARG92CZ181914[P], 68[C], 66[O], 1[S], 32[N],
ARG92NE154930[N], 50[O], 62[C], 11[P], 1[S],
VAL94CG21599[C], 2[O], 4[N],
SER95OG23912[C], 5[O], 6[N],
ASP96OD197920[N], 42[C], 28[O], 7[P],
ASP96CG86940[C], 25[O], 2[P], 19[N],
ASP96OD279934[C], 26[O], 2[P], 17[N],
GLU98OE2291[C], 1[N],
TYR99CD27498[P], 35[O], 25[C], 6[N],
TYR99CZ11994[S], 10[P], 49[O], 48[C], 8[N],
TYR99CE210894[S], 10[P], 48[O], 40[C], 6[N],
TYR99CG53926[O], 17[C], 5[P], 5[N],
TYR99CD17591[S], 28[C], 34[O], 7[P], 5[N],
TYR99CE110695[N], 1[S], 10[P], 46[C], 44[O],
GLU100OE1114911[N], 43[O], 51[C], 9[P],
GLU100CD9899[P], 41[O], 40[C], 8[N],
GLU100OE2128910[N], 54[O], 51[C], 13[P],
GLU100CG5293[N], 2[P], 24[C], 23[O],
GLN102CG191[S],
GLN102OE1391[C], 2[N],
GLN102CD191[N],
LEU103CD1109932[O], 57[C], 3[P], 5[S], 12[N],
LEU103CD2119911[N], 5[S], 7[P], 39[O], 57[C],
LEU103CG96948[C], 29[O], 4[P], 5[S], 10[N],
MET106CE1791[O], 10[C], 5[S], 1[N],
MET106CG2192[N], 5[S], 3[O], 11[C],
MET106SD1595[S], 1[O], 9[C],
ASN107CG5395[S], 10[O], 31[C], 7[N],
ASN107ND27198[N], 5[S], 15[O], 43[C],
ASN107OD162910[O], 38[C], 5[S], 9[N],
LEU110CD21597[C], 4[O], 4[S],
LEU110CG2395[S], 11[C], 5[O], 2[N],
LEU110CD132916[C], 7[O], 5[S], 4[N],
PHE118CG494[O],
PHE118CD2292[O],
PHE118CZ393[O],
PHE118CE2392[O], 1[C],
PHE118CD1892[C], 6[O],
PHE118CE1795[O], 2[C],
THR120CG2794[C], 3[N],
THR120OG1191[C],
PRO121CD4992[O], 25[C], 22[N],
PRO121CG55927[C], 4[O], 24[N],
SER122OG592[C], 3[N],
TYR125CD11496[C], 8[N],
TYR125CG21912[C], 9[N],
TYR125CE2992[C], 7[N],
TYR125CE1696[N],
TYR125CD21999[N], 10[C],
TYR125CZ292[N],
SER126OG1596[C], 9[N],
PHE127CG292[N],
PHE127CE2191[N],
PHE127CE1191[N],
PHE127CD1292[N],
PHE127CD2191[N],
ILE128CG13692[O], 16[C], 18[N],
ILE128CD133916[C], 1[O], 16[N],
ILE128CG240919[C], 4[O], 17[N],
SER129OG7891[S], 32[O], 26[C], 8[P], 11[N],
SER130OG127918[N], 60[O], 33[C], 15[P], 1[S],
THR131CG23395[P], 6[C], 20[O], 1[S], 1[N],
THR131OG17195[N], 39[O], 16[C], 10[P], 1[S],
LEU132CG795[O], 1[P], 1[S],
LEU132CD1691[P], 4[O], 1[S],
LEU132CD2291[O], 1[S],
ILE133CD11899[N], 5[O], 4[C],
ILE133CG1791[N], 4[O], 2[C],
ARG134CD991[P], 8[O],
ARG134CG791[P], 6[O],
ARG134NE1391[S], 2[C], 8[O], 2[P],
ARG134CZ2891[N], 15[O], 8[C], 4[P],
GLU135OE1292[O],
Total = 170



Download csv file of statistical distribution of contacts