Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
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Binding Site Number :C6_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 C6_S1
Complex: 4FN_A_2(4YQ1) / Model_10(4YQ1/A) = [9.4] Download1086.7129.00MFFAVITLFPEMFEAITAYGISGRAAKRDIVQVTCINPRDFAEGSYRRVDERPFGGGPGMVMMAEPLAKAINHAKQLASQAGCVHVPVVYMSPQGKTLNEQAVQQFVDYDGLIVLCGRYEGVDERLIQHYVDQEWSIGDYVLSGGELPAMVLLDSIIRRLPNVMSDEQSAIQDSFVDGLLDCPQYTKPDQFEGLDVPEILKSGHHANIEKWRFLQRYQRTLERRPELIEQVTLTKQQKKWLSDEQG
Complex: EFY_A_2(4YQ2) / Model_11(4YQ2/A) = [8.9] Download900.4929.00MFFAVITLFPEMFEAITAYGISGRAAKRDIVQVTCINPRDFAEGSYRRVDERPFGGGPGMVMMAEPLAKAINHAKQLASQAGCVHVPVVYMSPQGKTLNEQAVQQFVDYDGLIVLCGRYEGVDERLIQHYVDQEWSIGDYVLSGGELPAMVLLDSIIRRLPNVMSDEQSAIQDSFVDGLLDCPQYTKPDQFEGLDVPEILKSGHHANIEKWRFLQRYQRTLERRPELIEQVTLTKQQKKWLSDEQG
Complex: 4G1_A_2(4YQ3) / Model_12(4YQ3/A) = [8.4] Download1072.8929.00MFFAVITLFPEMFEAITAYGISGRAAKRDIVQVTCINPRDFAEGSYRRVDERPFGGGPGMVMMAEPLAKAINHAKQLASQAGCVHVPVVYMSPQGKTLNEQAVQQFVDYDGLIVLCGRYEGVDERLIQHYVDQEWSIGDYVLSGGELPAMVLLDSIIRRLPNVMSDEQSAIQDSFVDGLLDCPQYTKPDQFEGLDVPEILKSGHHANIEKWRFLQRYQRTLERRPELIEQVTLTKQQKKWLSDEQG
Complex: 4GZ_A_2(4YQD) / Model_48(4YQD/A) = [8.3] Download1016.5631.96MFFAVITLFPEMFEAITAYGISGRAAKRDIVQVTCINPRDFAEGSYRRVDERPFGGGPGMVMMAEPLAKAINHAKQLASQAGCVHVPVVYMSPQGKTLNEQAVQQFVDYDGLIVLCGRYEGVDERLIQHYVDQEWSIGDYVLSGGELPAMVLLDSIIRRLPNVMSDEQSAIQDSFVDGLLDCPQYTKPDQFEGLDVPEILKSGHHANIEKWRFLQRYQRTLERRPELIEQVTLTKQQKKWLSDEQG
Complex: SFG_A_2(4YVH) / Model_46(4YVH/A) = [7.8] Download608.3431.71MFFAVITLFPEMFEAITAYGISGRAAKRDIVQVTCINPRDFAEGSYRRVDERPFGGGPGMVMMAEPLAKAINHAKQLASQAGCVHVPVVYMSPQGKTLNEQAVQQFVDYDGLIVLCGRYEGVDERLIQHYVDQEWSIGDYVLSGGELPAMVLLDSIIRRLPNVMSDEQSAIQDSFVDGLLDCPQYTKPDQFEGLDVPEILKSGHHANIEKWRFLQRYQRTLERRPELIEQVTLTKQQKKWLSDEQG
Consensus
[pKd Mean = 8.56]		-936
(s=176)		30
(s=1)		MFFAVITLFPEMFEAITAYGISGRAAKRDIVQVTCINPRDFAEGSYRRVDERPFGGGPGMVMMAEPLAKAINHAKQLASQAGCVHVPVVYMSPQGKTLNEQAVQQFVDYDGLIVLCGRYEGVDERLIQHYVDQEWSIGDYVLSGGELPAMVLLDSIIRRLPNVMSDEQSAIQDSFVDGLLDCPQYTKPDQFEGLDVPEILKSGHHANIEKWRFLQRYQRTLERRPELIEQVTLTKQQKKWLSDEQG



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]
PRO58CB3351[N], 2[C],
PRO58CA2351[C], 1[N],
PRO58C3351[N], 2[C],
PRO58N1351[C],
PRO58CG4351[N], 3[C],
PRO58O4351[N], 3[C],
PRO58CD2351[C], 1[N],
GLY59CA7353[C], 1[S], 2[O], 1[N],
GLY59C3351[O], 1[C], 1[N],
GLY59N4352[C], 1[O], 1[N],
MET60C2352[C],
MET60N1351[O],
MET60O57355[O], 48[C], 4[N],
VAL61C2352[C],
VAL61CG11351[C],
VAL61CB1351[C],
VAL61O1351[C],
VAL61CA4354[C],
VAL61N1351[C],
MET62CG67351[N], 7[O], 59[C],
MET62N18353[O], 15[C],
MET62CB12358[C], 4[O],
MET62CA2352[C],
MET62SD101353[N], 8[O], 90[C],
MET62CE143510[C], 4[O],
MET62C1351[C],
LEU67CD21351[C],
VAL89CG11351[O],
TYR90CB38357[O], 29[C], 2[N],
TYR90CZ391353[S], 303[C], 30[O], 55[N],
TYR90CE13493548[N], 2[S], 25[O], 274[C],
TYR90N1351[O],
TYR90CD122935183[C], 2[S], 22[O], 22[N],
TYR90O1963530[N], 3[S], 38[O], 125[C],
TYR90C19235114[C], 3[S], 40[O], 35[N],
TYR90CE231735249[C], 3[S], 28[O], 37[N],
TYR90CA573517[O], 3[S], 27[C], 10[N],
TYR90CD21943520[N], 3[S], 20[O], 151[C],
TYR90CG1653518[N], 2[S], 21[O], 124[C],
MET91O59835124[N], 61[O], 3[S], 410[C],
MET91C57335123[N], 3[S], 58[O], 389[C],
MET91N337353[S], 43[O], 246[C], 45[N],
MET91CB47935118[N], 307[C], 3[S], 51[O],
MET91CA48235116[N], 312[C], 3[S], 51[O],
MET91CG3043539[O], 3[S], 207[C], 55[N],
MET91CE3123580[N], 193[C], 3[S], 36[O],
MET91SD2243552[N], 3[S], 135[C], 34[O],
SER92C63035128[N], 3[S], 64[O], 435[C],
SER92O53935120[N], 3[S], 57[O], 359[C],
SER92N57535390[C], 3[S], 59[O], 123[N],
SER92CA630353[S], 434[C], 64[O], 129[N],
SER92CB5993560[O], 3[S], 411[C], 125[N],
SER92OG56335122[N], 58[O], 3[S], 380[C],
PRO93CD67635470[C], 4[S], 66[O], 136[N],
PRO93CB640353[S], 442[C], 60[O], 135[N],
PRO93CG678354[S], 66[O], 472[C], 136[N],
PRO93N66235132[N], 64[O], 3[S], 463[C],
PRO93C49635106[N], 3[S], 335[C], 52[O],
PRO93CA619353[S], 60[O], 427[C], 129[N],
PRO93O340353[S], 208[C], 50[O], 79[N],
GLN94O1351[O],
GLN94N50835106[N], 3[S], 346[C], 53[O],
GLN94OE13703563[N], 22[O], 285[C],
GLN94CD18635160[C], 10[O], 16[N],
GLN94NE222235181[C], 14[O], 27[N],
GLN94C523515[N], 13[C], 2[S], 22[O],
GLN94CG97357[N], 85[C], 5[O],
GLN94CB63352[N], 4[O], 57[C],
GLN94CA16735105[C], 2[S], 23[O], 37[N],
GLY95C51352[S], 5[C], 26[O], 18[N],
GLY95CA1063538[C], 3[S], 28[O], 37[N],
GLY95N20835116[C], 3[S], 31[O], 58[N],
GLY95O803533[N], 2[S], 24[C], 21[O],
LYS96O653519[N], 3[S], 28[O], 15[C],
LYS96C143512[O], 2[N],
THR97CG25353[N], 2[C],
THR97CA233515[O], 8[N],
THR97OG11351[N],
LEU98CB373514[N], 22[O], 1[C],
LEU98N343518[O], 16[N],
LEU98CD29353[N], 6[O],
LEU115CA2352[O],
LEU115CD26355[O], 1[C],
LEU115O1763521[N], 128[C], 3[S], 24[O],
LEU115N1351[O],
LEU115CG10354[C], 6[O],
LEU115C46358[O], 35[C], 3[N],
LEU115CB3353[O],
CYS116N50351[N], 12[O], 37[C],
CYS116SG11352[N], 5[C], 4[O],
CYS116CA2243519[O], 3[S], 168[C], 34[N],
CYS116O1403515[O], 121[C], 4[N],
CYS116C2703516[O], 212[C], 42[N],
CYS116CB111358[N], 14[O], 89[C],
GLY117O457353[S], 32[O], 344[C], 78[N],
GLY117CA3723555[N], 20[O], 297[C],
GLY117N377353[S], 26[O], 292[C], 56[N],
GLY117C3963568[N], 21[O], 307[C],
ARG118CB20535162[C], 16[O], 27[N],
ARG118CA33335265[C], 21[O], 47[N],
ARG118CG1743514[O], 137[C], 23[N],
ARG118CZ853518[N], 6[O], 61[C],
ARG118C3123544[N], 247[C], 21[O],
ARG118O3063543[N], 21[O], 242[C],
ARG118N3353546[N], 268[C], 21[O],
ARG118CD1473524[N], 14[O], 109[C],
ARG118NE129359[O], 97[C], 23[N],
TYR119CB1363511[O], 116[C], 9[N],
TYR119CD2283526[C], 2[O],
TYR119N2893518[O], 234[C], 37[N],
TYR119CE21351[C],
TYR119CE11351[O],
TYR119C319351[S], 251[C], 22[O], 45[N],
TYR119CD119351[N], 1[O], 17[C],
TYR119CG483544[C], 2[O], 2[N],
TYR119O392351[S], 294[C], 30[O], 67[N],
TYR119CA271351[S], 220[C], 17[O], 33[N],
GLU120N28835236[C], 1[S], 16[O], 35[N],
GLU120OE21603518[N], 132[C], 1[S], 9[O],
GLU120C3333548[N], 257[C], 1[S], 27[O],
GLU120CD200351[S], 169[C], 10[O], 20[N],
GLU120CB2323521[N], 1[S], 195[C], 15[O],
GLU120CG170351[S], 9[O], 141[C], 19[N],
GLU120OE12323515[O], 1[S], 194[C], 22[N],
GLU120O340351[S], 28[O], 265[C], 46[N],
GLU120CA31535250[C], 1[S], 22[O], 42[N],
GLY121N3233544[N], 1[S], 26[O], 252[C],
GLY121CA3363548[N], 25[O], 1[S], 262[C],
GLY121O1923510[N], 13[O], 169[C],
GLY121C2353517[O], 207[C], 11[N],
VAL122CA933583[C], 9[O], 1[N],
VAL122CG289358[O], 80[C], 1[N],
VAL122C383532[C], 5[O], 1[N],
VAL122CG1118359[O], 106[C], 3[N],
VAL122O583552[C], 5[O], 1[N],
VAL122CB763567[C], 8[O], 1[N],
VAL122N1973514[O], 174[C], 9[N],
ASP123N1351[C],
ILE127CG14353[C], 1[N],
ILE127CD124351[N], 4[O], 19[C],
GLU134CD193516[C], 2[O], 1[N],
GLU134OE11351[C],
GLU134OE270357[O], 58[C], 5[N],
GLU134CG20355[N], 7[C], 8[O],
GLU134C17351[N], 3[S], 4[C], 9[O],
TRP135CG4351[C], 3[O],
TRP135C2403566[N], 3[S], 29[O], 142[C],
TRP135O3373540[O], 3[S], 216[C], 78[N],
TRP135N903528[N], 3[S], 28[O], 31[C],
TRP135CB843526[C], 3[S], 28[O], 27[N],
TRP135CA1303534[N], 65[C], 3[S], 28[O],
SER136CB3173592[N], 3[S], 43[O], 179[C],
SER136OG351353[S], 207[C], 43[O], 98[N],
SER136O203353[S], 28[O], 111[C], 61[N],
SER136CA32835190[C], 3[S], 43[O], 92[N],
SER136N2483528[O], 3[S], 155[C], 62[N],
SER136C2703568[N], 3[S], 36[O], 163[C],
ILE137CD13223591[N], 39[O], 3[S], 189[C],
ILE137CG13343594[N], 3[S], 196[C], 41[O],
ILE137N3303592[N], 3[S], 194[C], 41[O],
ILE137C242353[S], 142[C], 34[O], 63[N],
ILE137CA2513563[N], 3[S], 35[O], 150[C],
ILE137CB2723571[N], 3[S], 36[O], 162[C],
ILE137O1633553[N], 3[S], 79[C], 28[O],
ILE137CG226035161[C], 3[S], 29[O], 67[N],
GLY138O3563596[N], 213[C], 3[S], 44[O],
GLY138CA2363560[N], 3[S], 38[O], 135[C],
GLY138N2713539[O], 3[S], 151[C], 78[N],
GLY138C2813541[O], 3[S], 158[C], 79[N],
ASP139OD2223515[C], 7[N],
ASP139CB593531[N], 28[C],
ASP139N1983551[N], 30[O], 117[C],
ASP139OD1893533[N], 3[O], 53[C],
ASP139O833531[N], 50[C], 2[O],
ASP139C2053532[O], 119[C], 54[N],
ASP139CG513528[N], 23[C],
ASP139CA2013531[O], 119[C], 51[N],
TYR140CD21693592[C], 28[O], 49[N],
TYR140C43735120[N], 44[O], 273[C],
TYR140CD1336351[S], 199[C], 41[O], 95[N],
TYR140CG2293532[O], 129[C], 68[N],
TYR140CE13203588[N], 187[C], 3[S], 42[O],
TYR140CA2923532[O], 189[C], 71[N],
TYR140CB22835132[C], 31[O], 65[N],
TYR140O525353[S], 346[C], 52[O], 124[N],
TYR140CZ2313571[N], 38[O], 122[C],
TYR140CE21653523[O], 92[C], 50[N],
TYR140N2913539[O], 180[C], 72[N],
VAL141CG2459351[S], 25[O], 329[C], 104[N],
VAL141CG158135437[C], 1[S], 30[O], 113[N],
VAL141O4193599[N], 298[C], 22[O],
VAL141CB51935107[N], 385[C], 1[S], 26[O],
VAL141CA591351[S], 405[C], 54[O], 131[N],
VAL141C57135129[N], 1[S], 390[C], 51[O],
VAL141N44735120[N], 38[O], 289[C],
LEU142O618354[S], 41[O], 449[C], 124[N],
LEU142CG506353[S], 51[O], 326[C], 126[N],
LEU142CD240435242[C], 1[S], 44[O], 117[N],
LEU142C58135119[N], 423[C], 2[S], 37[O],
LEU142CD1466353[S], 50[O], 291[C], 122[N],
LEU142CA59735129[N], 54[O], 3[S], 411[C],
LEU142N64335132[N], 4[S], 447[C], 60[O],
LEU142CB57835390[C], 3[S], 57[O], 128[N],
SER143O4053569[N], 302[C], 34[O],
SER143C47535363[C], 35[O], 77[N],
SER143CA4053530[O], 306[C], 69[N],
SER143N4743528[O], 364[C], 82[N],
SER143CB2343563[N], 148[C], 23[O],
SER143OG1693552[N], 10[O], 107[C],
GLY144CA5113584[N], 3[S], 42[O], 382[C],
GLY144O60035128[N], 3[S], 407[C], 62[O],
GLY144C58835415[C], 3[S], 62[O], 108[N],
GLY144N510353[S], 36[O], 386[C], 85[N],
GLY145N57035408[C], 3[S], 61[O], 98[N],
GLY145O4203588[N], 3[S], 50[O], 279[C],
GLY145CA5743558[O], 3[S], 392[C], 121[N],
GLY145C4683555[O], 3[S], 322[C], 88[N],
GLU146CA1173527[N], 3[S], 77[C], 10[O],
GLU146OE118335139[C], 13[O], 31[N],
GLU146C703517[N], 3[S], 6[O], 44[C],
GLU146CD343526[C], 6[O], 2[N],
GLU146OE27353[C], 4[O],
GLU146N3483571[N], 3[S], 25[O], 249[C],
LEU147C2273540[N], 156[C], 3[S], 28[O],
LEU147O653528[O], 3[S], 14[C], 20[N],
LEU147CB673552[C], 15[N],
LEU147CA613515[N], 6[O], 3[S], 37[C],
LEU147N1703537[N], 14[O], 3[S], 116[C],
PRO148O1553593[C], 3[S], 28[O], 31[N],
PRO148CB431353[S], 50[O], 260[C], 118[N],
PRO148C223353[S], 29[O], 140[C], 51[N],
PRO148N376353[S], 46[O], 213[C], 114[N],
PRO148CG47635119[N], 301[C], 3[S], 53[O],
PRO148CA35535104[N], 3[S], 45[O], 203[C],
PRO148CD4543550[O], 3[S], 282[C], 119[N],
ALA149CA443512[C], 3[S], 15[O], 14[N],
ALA149CB15354[N], 3[S], 4[C], 4[O],
ALA149N1913537[N], 3[S], 31[O], 120[C],
ALA149C1351[O],
VAL151CB11359[O], 2[N],
VAL151CG22352[O],
LEU152CD12352[O],
LEU152CB1351[O],
LEU152CD22352[O],
Total = 244



Download csv file of statistical distribution of contacts