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: WCX_A_2(2XNP) / Model_17(2XNP/A) = [9.2] Download1629.0810.56MAQVAEESRALESLVFRNKYRQIKSIGKGSFGEAVLVRSKSDGKRYVAKAIDSISMTPKERRDVQNEIRILAAVDHPNIIRYHEHFEDDTLIFIIMEYADGGDLSSRIKEAKKQDVPQPFDPNLAMFWFLQICMALKYLHDNHILHRDLKTANIFLTSKNVVKLGDFGISTILQNTMACAKTVCGTPYYFSPELCQSKPYNNKSDVWALGVVFYETLTLHRPFNAKTLKDLLKKILAGNYDPIPTTIPVEMRSLCASLLQVNYLQRPSINRILESSYVQSTLRSFSEDLARQVEKDRTDFEARKLSEREKHAQSSPVKEAVARMPQEPAKPQLSEREQMAMLRGMDREKMKAMLAKQAAEEKSAPKTAAAPEQMGHPDVDDDGDYIAQKKAMVQNTKEIVGKSNLGGHPEEFGDGPADSAPQVETITMANGRTVLASNVRDHLEAEMGSELLNRAVELYNSGMMSGLTNSEMQHELSELLGPKFAHNSNAITKLAVWEGKQ
Complex: WGZ_A_2(2XNM) / Model_14(2XNM/A) = [7.7] Download1498.6116.48MAQVAEESRALESLVFRNKYRQIKSIGKGSFGEAVLVRSKSDGKRYVAKAIDSISMTPKERRDVQNEIRILAAVDHPNIIRYHEHFEDDTLIFIIMEYADGGDLSSRIKEAKKQDVPQPFDPNLAMFWFLQICMALKYLHDNHILHRDLKTANIFLTSKNVVKLGDFGISTILQNTMACAKTVCGTPYYFSPELCQSKPYNNKSDVWALGVVFYETLTLHRPFNAKTLKDLLKKILAGNYDPIPTTIPVEMRSLCASLLQVNYLQRPSINRILESSYVQSTLRSFSEDLARQVEKDRTDFEARKLSEREKHAQSSPVKEAVARMPQEPAKPQLSEREQMAMLRGMDREKMKAMLAKQAAEEKSAPKTAAAPEQMGHPDVDDDGDYIAQKKAMVQNTKEIVGKSNLGGHPEEFGDGPADSAPQVETITMANGRTVLASNVRDHLEAEMGSELLNRAVELYNSGMMSGLTNSEMQHELSELLGPKFAHNSNAITKLAVWEGKQ
Complex: NU6_A_2(5M51) / Model_18(5M51/A) = [6.8] Download1051.6010.26MAQVAEESRALESLVFRNKYRQIKSIGKGSFGEAVLVRSKSDGKRYVAKAIDSISMTPKERRDVQNEIRILAAVDHPNIIRYHEHFEDDTLIFIIMEYADGGDLSSRIKEAKKQDVPQPFDPNLAMFWFLQICMALKYLHDNHILHRDLKTANIFLTSKNVVKLGDFGISTILQNTMACAKTVCGTPYYFSPELCQSKPYNNKSDVWALGVVFYETLTLHRPFNAKTLKDLLKKILAGNYDPIPTTIPVEMRSLCASLLQVNYLQRPSINRILESSYVQSTLRSFSEDLARQVEKDRTDFEARKLSEREKHAQSSPVKEAVARMPQEPAKPQLSEREQMAMLRGMDREKMKAMLAKQAAEEKSAPKTAAAPEQMGHPDVDDDGDYIAQKKAMVQNTKEIVGKSNLGGHPEEFGDGPADSAPQVETITMANGRTVLASNVRDHLEAEMGSELLNRAVELYNSGMMSGLTNSEMQHELSELLGPKFAHNSNAITKLAVWEGKQ
Complex: EQH_A_2(2XK6) / Model_7(2XK6/A) = [6.5] Download1002.9422.64MAQVAEESRALESLVFRNKYRQIKSIGKGSFGEAVLVRSKSDGKRYVAKAIDSISMTPKERRDVQNEIRILAAVDHPNIIRYHEHFEDDTLIFIIMEYADGGDLSSRIKEAKKQDVPQPFDPNLAMFWFLQICMALKYLHDNHILHRDLKTANIFLTSKNVVKLGDFGISTILQNTMACAKTVCGTPYYFSPELCQSKPYNNKSDVWALGVVFYETLTLHRPFNAKTLKDLLKKILAGNYDPIPTTIPVEMRSLCASLLQVNYLQRPSINRILESSYVQSTLRSFSEDLARQVEKDRTDFEARKLSEREKHAQSSPVKEAVARMPQEPAKPQLSEREQMAMLRGMDREKMKAMLAKQAAEEKSAPKTAAAPEQMGHPDVDDDGDYIAQKKAMVQNTKEIVGKSNLGGHPEEFGDGPADSAPQVETITMANGRTVLASNVRDHLEAEMGSELLNRAVELYNSGMMSGLTNSEMQHELSELLGPKFAHNSNAITKLAVWEGKQ
Complex: BX1_A_2(2XKF) / Model_12(2XKF/A) = [6.4] Download979.3219.85MAQVAEESRALESLVFRNKYRQIKSIGKGSFGEAVLVRSKSDGKRYVAKAIDSISMTPKERRDVQNEIRILAAVDHPNIIRYHEHFEDDTLIFIIMEYADGGDLSSRIKEAKKQDVPQPFDPNLAMFWFLQICMALKYLHDNHILHRDLKTANIFLTSKNVVKLGDFGISTILQNTMACAKTVCGTPYYFSPELCQSKPYNNKSDVWALGVVFYETLTLHRPFNAKTLKDLLKKILAGNYDPIPTTIPVEMRSLCASLLQVNYLQRPSINRILESSYVQSTLRSFSEDLARQVEKDRTDFEARKLSEREKHAQSSPVKEAVARMPQEPAKPQLSEREQMAMLRGMDREKMKAMLAKQAAEEKSAPKTAAAPEQMGHPDVDDDGDYIAQKKAMVQNTKEIVGKSNLGGHPEEFGDGPADSAPQVETITMANGRTVLASNVRDHLEAEMGSELLNRAVELYNSGMMSGLTNSEMQHELSELLGPKFAHNSNAITKLAVWEGKQ
Consensus
[pKd Mean = 7.32]		-1232
(s=274)		15
(s=5)		MAQVAEESRALESLVFRNKYRQIKSIGKGSFGEAVLVRSKSDGKRYVAKAIDSISMTPKERRDVQNEIRILAAVDHPNIIRYHEHFEDDTLIFIIMEYADGGDLSSRIKEAKKQDVPQPFDPNLAMFWFLQICMALKYLHDNHILHRDLKTANIFLTSKNVVKLGDFGISTILQNTMACAKTVCGTPYYFSPELCQSKPYNNKSDVWALGVVFYETLTLHRPFNAKTLKDLLKKILAGNYDPIPTTIPVEMRSLCASLLQVNYLQRPSINRILESSYVQSTLRSFSEDLARQVEKDRTDFEARKLSEREKHAQSSPVKEAVARMPQEPAKPQLSEREQMAMLRGMDREKMKAMLAKQAAEEKSAPKTAAAPEQMGHPDVDDDGDYIAQKKAMVQNTKEIVGKSNLGGHPEEFGDGPADSAPQVETITMANGRTVLASNVRDHLEAEMGSELLNRAVELYNSGMMSGLTNSEMQHELSELLGPKFAHNSNAITKLAVWEGKQ



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]
LYS24CE1692[O], 1[N], 13[C],
LYS24NZ1492[O], 1[N], 11[C],
LYS24CD591[O], 4[C],
LYS24CG393[C],
SER25CA191[F],
SER25C24911[F], 1[O], 12[C],
SER25OG14912[F], 2[C],
SER25O2197[F], 2[O], 12[C],
ILE26CA141912[F], 2[S], 9[O], 10[N], 108[C],
ILE26O125912[F], 2[S], 8[O], 5[N], 98[C],
ILE26CD1202912[F], 4[S], 10[O], 30[N], 146[C],
ILE26CB202912[F], 2[S], 9[O], 28[N], 151[C],
ILE26CG1187912[F], 2[S], 10[O], 29[N], 134[C],
ILE26CG2210912[F], 2[S], 11[O], 29[N], 156[C],
ILE26C140912[F], 2[S], 9[O], 9[N], 108[C],
ILE26N83912[F], 1[S], 8[O], 1[N], 61[C],
GLY27N132912[F], 2[S], 9[O], 8[N], 101[C],
GLY27O50912[F], 3[O], 35[C],
GLY27CA112912[F], 2[S], 7[O], 6[N], 85[C],
GLY27C55912[F], 5[O], 38[C],
LYS28N44912[F], 1[O], 31[C],
LYS28O32910[F], 22[C],
LYS28CA29912[F], 17[C],
LYS28C29911[F], 18[C],
LYS28CB1197[F], 4[C],
LYS28CG794[F], 3[C],
GLY29N2096[F], 2[O], 12[C],
GLY29CA1293[F], 9[C],
GLY29C691[F], 5[C],
GLY29O393[C],
SER30CB292[C],
SER30N591[F], 4[C],
SER30C292[C],
SER30CA292[C],
PHE31CD1391[N], 2[C],
PHE31CD2191[C],
PHE31CG191[C],
PHE31CA292[C],
PHE31CZ191[C],
PHE31C291[F], 1[C],
PHE31O391[F], 2[C],
PHE31CB292[C],
PHE31CE1291[N], 1[C],
PHE31N791[F], 1[O], 5[C],
GLY32N494[C],
GLY32O1495[F], 9[C],
GLY32CA292[C],
GLY32C1094[F], 6[C],
GLU33N1194[F], 7[C],
GLU33CB494[F],
GLU33O3199[F], 1[O], 21[C],
GLU33C37912[F], 1[O], 24[C],
GLU33CA23911[F], 12[C],
ALA34C90912[F], 5[O], 10[N], 63[C],
ALA34CB207912[F], 5[S], 11[O], 28[N], 151[C],
ALA34O70912[F], 2[O], 5[N], 51[C],
ALA34CA110912[F], 7[O], 12[N], 79[C],
ALA34N58912[F], 5[O], 1[N], 40[C],
VAL35O5694[F], 19[N], 33[C],
VAL35C3194[F], 9[N], 18[C],
VAL35CA1198[F], 3[C],
VAL35N59912[F], 1[O], 7[N], 39[C],
LEU36CG3399[N], 24[C],
LEU36CD17192[O], 17[N], 52[C],
LEU36N2893[F], 7[N], 18[C],
LEU36CD22591[O], 3[N], 21[C],
LEU36CB4291[O], 10[N], 31[C],
LEU36CA2999[N], 20[C],
ARG45O191[N],
TYR46CA2399[C], 14[N],
TYR46CB292[N],
TYR46O40919[N], 21[C],
TYR46C41920[N], 21[C],
VAL47CG216595[F], 5[S], 11[O], 29[N], 115[C],
VAL47CG115094[F], 5[S], 4[O], 27[N], 110[C],
VAL47N64924[N], 40[C],
VAL47CA8691[F], 3[S], 1[O], 27[N], 54[C],
VAL47O4492[S], 21[C], 21[N],
VAL47C6793[S], 21[N], 43[C],
VAL47CB14194[F], 3[S], 4[O], 27[N], 103[C],
ALA48CA18910[C], 8[N],
ALA48O6197[F], 4[O], 9[N], 41[C],
ALA48N5291[F], 31[C], 20[N],
ALA48C4293[F], 32[C], 7[N],
LYS49CG11298[F], 3[S], 17[O], 12[N], 72[C],
LYS49CD136910[F], 3[S], 17[O], 14[N], 92[C],
LYS49CA5996[F], 12[O], 4[N], 37[C],
LYS49NZ15999[F], 3[S], 19[O], 17[N], 111[C],
LYS49N5291[F], 10[O], 7[N], 34[C],
LYS49C391[O], 2[C],
LYS49CE14799[F], 3[S], 18[O], 16[N], 101[C],
LYS49CB8091[S], 5[F], 12[O], 8[N], 54[C],
LEU71CG1097[O], 2[N], 1[C],
LEU71CB292[O],
LEU71CD11799[O], 3[N], 5[C],
LEU71CD21898[O], 3[N], 7[C],
ILE79C392[O], 1[C],
ILE79CG2292[O],
ILE80CD112993[S], 9[O], 30[N], 87[C],
ILE80CB10893[S], 12[O], 65[C], 28[N],
ILE80CG112793[S], 16[O], 30[N], 78[C],
ILE80C3693[S], 7[O], 19[C], 7[N],
ILE80N3593[S], 8[O], 18[C], 6[N],
ILE80CA6793[S], 8[O], 11[N], 45[C],
ILE80CG212793[S], 15[O], 30[N], 79[C],
ILE80O3693[S], 8[O], 19[C], 6[N],
ARG81O2293[S], 2[O], 11[C], 6[N],
ARG81N2193[S], 3[O], 10[C], 5[N],
ARG81C992[O], 2[C], 5[N],
ARG81CA491[O], 3[N],
TYR82CG1895[O], 13[C],
TYR82CE22798[O], 2[N], 17[C],
TYR82CD13598[O], 21[C], 6[N],
TYR82CB494[O],
TYR82CE14698[O], 32[C], 6[N],
TYR82CD21794[O], 13[C],
TYR82CZ4098[O], 26[C], 6[N],
ILE94CG1594[O], 1[C],
ILE94CD1594[O], 1[C],
ILE94CG21396[O], 1[N], 6[C],
ILE94CB995[O], 1[N], 3[C],
ILE94O1694[O], 5[N], 7[C],
ILE95C691[C], 5[N],
MET96CA6493[S], 4[O], 36[C], 21[N],
MET96O5793[S], 33[C], 21[N],
MET96SD12791[F], 3[S], 15[O], 26[N], 82[C],
MET96CE11093[S], 16[O], 67[C], 24[N],
MET96CB10393[S], 10[O], 65[C], 25[N],
MET96N2693[S], 8[N], 15[C],
MET96C6093[S], 1[O], 35[C], 21[N],
MET96CG12691[F], 3[S], 16[O], 27[N], 79[C],
GLU97N6493[S], 2[O], 38[C], 21[N],
GLU97CD26912[C], 14[N],
GLU97OE22092[S], 8[N], 10[C],
GLU97C9393[S], 27[N], 63[C],
GLU97CA6493[S], 21[N], 40[C],
GLU97OE12099[C], 11[N],
GLU97O13293[S], 4[O], 28[N], 97[C],
GLU97CG5192[S], 28[C], 21[N],
GLU97CB5193[S], 19[N], 29[C],
TYR98CE27993[O], 14[N], 62[C],
TYR98CZ11494[O], 24[N], 86[C],
TYR98CD113592[S], 6[O], 28[N], 99[C],
TYR98CE113692[S], 8[O], 29[N], 97[C],
TYR98C11493[S], 1[O], 27[N], 83[C],
TYR98N8093[S], 27[N], 50[C],
TYR98CG10693[O], 25[N], 78[C],
TYR98CD28293[O], 20[N], 59[C],
TYR98CB90925[N], 65[C],
TYR98O78925[N], 53[C],
TYR98CA11393[S], 2[O], 27[N], 81[C],
ALA99C13994[S], 6[O], 28[N], 101[C],
ALA99N14095[S], 6[O], 27[N], 102[C],
ALA99CB15395[S], 6[O], 27[N], 115[C],
ALA99CA13395[S], 6[O], 27[N], 95[C],
ALA99O15895[S], 9[O], 29[N], 115[C],
ASP100C10692[S], 5[O], 15[N], 84[C],
ASP100OD15293[O], 9[N], 40[C],
ASP100CA10692[S], 3[O], 21[N], 80[C],
ASP100CG4393[O], 4[N], 36[C],
ASP100O9992[S], 6[O], 12[N], 79[C],
ASP100N11192[S], 3[O], 25[N], 81[C],
ASP100CB5893[O], 11[N], 44[C],
ASP100OD22092[O], 1[N], 17[C],
GLY101O9392[S], 7[O], 5[N], 79[C],
GLY101C11092[S], 7[O], 19[N], 82[C],
GLY101CA8792[S], 5[O], 10[N], 70[C],
GLY101N10292[S], 5[O], 15[N], 80[C],
GLY102C17593[S], 9[O], 25[N], 138[C],
GLY102N13692[S], 8[O], 24[N], 102[C],
GLY102CA17093[F], 2[S], 9[O], 26[N], 130[C],
GLY102O15994[S], 8[O], 26[N], 121[C],
ASP103CG14098[F], 2[S], 9[O], 9[N], 112[C],
ASP103CB18898[F], 5[S], 12[O], 16[N], 147[C],
ASP103C7392[S], 5[O], 4[N], 62[C],
ASP103OD1149910[F], 2[S], 8[O], 10[N], 119[C],
ASP103N18694[F], 3[S], 9[O], 25[N], 145[C],
ASP103OD210693[F], 2[S], 6[O], 6[N], 89[C],
ASP103O6692[S], 6[O], 3[N], 55[C],
ASP103CA15393[S], 9[O], 15[N], 126[C],
LEU104C191[C],
LEU104CA191[C],
LEU104N2492[S], 2[O], 20[C],
SER105OG1191[N], 10[C],
SER105C999[C],
SER105N14914[C],
SER105CA12912[C],
SER105O292[C],
SER105CB1891[O], 17[C],
SER106CA2892[O], 3[N], 23[C],
SER106O892[N], 6[C],
SER106N2792[O], 3[N], 22[C],
SER106C1091[O], 2[N], 7[C],
SER106OG8494[F], 2[S], 8[O], 4[N], 66[C],
SER106CB6092[S], 7[O], 4[N], 47[C],
ARG107CD191[C],
ARG107CG191[C],
ARG107NE393[C],
ARG107CZ392[C], 1[N],
ARG107N595[C],
GLU110OE1191[C],
ARG147NE393[O],
ARG147CZ1296[O], 2[N], 4[C],
ARG147CD191[O],
ARG147CG191[O],
LYS150CE797[C],
LYS150O292[C],
LYS150NZ595[C],
THR151O14914[C],
THR151C12912[C],
ALA152CA3492[O], 1[N], 31[C],
ALA152C8292[S], 12[O], 3[N], 65[C],
ALA152N14914[C],
ALA152CB3491[O], 33[C],
ALA152O15795[F], 5[S], 16[O], 14[N], 117[C],
ASN153C6593[S], 11[O], 5[N], 46[C],
ASN153OD17391[S], 14[O], 4[N], 54[C],
ASN153O6293[S], 12[O], 5[N], 42[C],
ASN153N5399[O], 3[N], 41[C],
ASN153CG6393[S], 16[O], 4[N], 40[C],
ASN153CA8493[S], 15[O], 5[N], 61[C],
ASN153CB5991[S], 14[O], 4[N], 40[C],
ASN153ND25192[S], 12[O], 4[N], 33[C],
ILE154N3893[S], 4[O], 1[N], 30[C],
ILE154C3895[S], 2[O], 4[N], 27[C],
ILE154O5093[S], 4[N], 43[C],
ILE154CA1791[S], 3[O], 13[C],
PHE155O191[C],
PHE155CB17395[S], 8[O], 27[N], 133[C],
PHE155CD224798[F], 5[S], 24[O], 32[N], 178[C],
PHE155C7394[S], 20[N], 49[C],
PHE155CA12895[S], 3[O], 27[N], 93[C],
PHE155CE2253912[F], 5[S], 25[O], 33[N], 178[C],
PHE155CE121094[F], 5[S], 20[O], 31[N], 150[C],
PHE155CZ237912[F], 5[S], 20[O], 32[N], 168[C],
PHE155CD119895[S], 20[O], 31[N], 142[C],
PHE155N7695[S], 4[O], 14[N], 53[C],
PHE155CG21994[F], 5[S], 20[O], 32[N], 158[C],
LEU156O9992[S], 3[O], 23[N], 71[C],
LEU156N8692[S], 20[N], 64[C],
LEU156C44910[N], 34[C],
LEU156CA1195[N], 6[C],
THR157CA1298[N], 4[C],
THR157N1198[N], 3[C],
THR157CG21395[C], 8[N],
LYS163CD393[N],
LYS163C1592[S], 3[O], 1[N], 9[C],
LYS163CB1592[S], 1[O], 4[N], 8[C],
LYS163CG391[C], 2[N],
LYS163O2893[S], 4[O], 3[N], 18[C],
LEU164N493[O], 1[C],
LEU164O4293[S], 8[O], 4[N], 27[C],
LEU164C4393[S], 8[O], 5[N], 27[C],
LEU164CB191[O],
LEU164CA1394[O], 9[C],
GLY165CA9293[S], 16[O], 14[N], 59[C],
GLY165N6493[S], 12[O], 8[N], 41[C],
GLY165O5093[S], 12[O], 6[N], 29[C],
GLY165C7093[S], 16[O], 8[N], 43[C],
ASP166OD27391[S], 16[O], 9[N], 47[C],
ASP166N8593[S], 17[O], 9[N], 56[C],
ASP166O6893[S], 15[O], 4[N], 46[C],
ASP166C6293[S], 16[O], 4[N], 39[C],
ASP166OD17691[S], 15[O], 8[N], 52[C],
ASP166CG7592[S], 16[O], 9[N], 48[C],
ASP166CB6692[S], 15[O], 7[N], 42[C],
ASP166CA6593[S], 16[O], 7[N], 39[C],
PHE167CE14992[F], 7[O], 3[N], 37[C],
PHE167N46914[O], 4[N], 28[C],
PHE167CG49914[O], 4[N], 31[C],
PHE167CE24591[F], 8[O], 3[N], 33[C],
PHE167CD247910[O], 3[N], 34[C],
PHE167CD148910[O], 4[N], 34[C],
PHE167CA43914[O], 4[N], 25[C],
PHE167O27911[O], 4[N], 12[C],
PHE167CZ4493[F], 1[S], 7[O], 3[N], 30[C],
PHE167C33912[O], 4[N], 17[C],
PHE167CB41914[O], 4[N], 23[C],
GLY168C1394[O], 2[N], 7[C],
GLY168N1897[O], 3[N], 8[C],
GLY168O1292[O], 2[N], 8[C],
GLY168CA1395[O], 2[N], 6[C],
ILE169CB1391[S], 2[O], 1[N], 9[C],
ILE169O1191[F], 2[O], 1[N], 7[C],
ILE169N892[O], 1[N], 5[C],
ILE169CD11491[S], 3[O], 2[N], 8[C],
ILE169CG11191[S], 2[O], 1[N], 7[C],
ILE169CA1192[O], 1[N], 8[C],
ILE169CG21792[F], 1[S], 2[O], 1[N], 11[C],
ILE169C1391[F], 2[O], 1[N], 9[C],
SER170CB1791[F], 2[O], 1[N], 13[C],
SER170C1191[F], 1[O], 1[N], 8[C],
SER170CA1892[F], 2[O], 1[N], 13[C],
SER170N1691[F], 1[S], 2[O], 1[N], 11[C],
SER170O791[F], 1[O], 1[N], 4[C],
SER170OG2193[F], 1[S], 2[O], 1[N], 14[C],
THR171CA191[C],
THR171N591[O], 1[N], 3[C],
THR171C191[C],
ILE172C191[C],
ILE172N191[C],
LEU173C191[C],
LEU173N292[C],
LEU173O191[C],
LEU173CD11493[F], 1[O], 1[N], 9[C],
LEU173CA391[F], 2[C],
LEU173CG1193[F], 1[O], 7[C],
LEU173CB791[F], 1[O], 5[C],
LEU173CD21693[F], 1[O], 1[N], 11[C],
Total = 309



Download csv file of statistical distribution of contacts