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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 6SH_A_2(5LAR) / Model_15(5LAR/A) = [10.8] Download1234.4035.76MILTKVEGPNAAGNKVYVFGVNDYRLEVPERYNVQHFVGRGAYGFVCSAVDAVTNEPVAIKKVTHLFDDAVDAKRVLREVKLLAYLKHPNILSLKDLFKSPDPVDTYSELYVVTDLMESDMDAILRSPRIRLAAGHGQYFTLQLLCALQYIHSAHVLHRDLKPGNLLTDSECNLKLGDFGLARGIGHDDTMTQYVFTRWYRPPELLLVCKHCNYSADMWAVGCLAAEMFTGKPLFPGKDYINQINLIVELLGIPDLARDLPPSTSTEAIHYLSSLPPSKGKKLEEYAPELRRRFDETTFYDSFDTELEEAIAAEGATIARPQPRPPEEYYAEFVDFIFGLLRYNPEKRRTAKESIAHAWLSDVRGPQETIGGCEAERIYRWDADGTAFTIPQLRHLFIDEIGKFASTRGS
Complex: 4WE_A_2(5BYZ) / Model_6(5BYZ/A) = [7.8] Download1302.0920.69MILTKVEGPNAAGNKVYVFGVNDYRLEVPERYNVQHFVGRGAYGFVCSAVDAVTNEPVAIKKVTHLFDDAVDAKRVLREVKLLAYLKHPNILSLKDLFKSPDPVDTYSELYVVTDLMESDMDAILRSPRIRLAAGHGQYFTLQLLCALQYIHSAHVLHRDLKPGNLLTDSECNLKLGDFGLARGIGHDDTMTQYVFTRWYRPPELLLVCKHCNYSADMWAVGCLAAEMFTGKPLFPGKDYINQINLIVELLGIPDLARDLPPSTSTEAIHYLSSLPPSKGKKLEEYAPELRRRFDETTFYDSFDTELEEAIAAEGATIARPQPRPPEEYYAEFVDFIFGLLRYNPEKRRTAKESIAHAWLSDVRGPQETIGGCEAERIYRWDADGTAFTIPQLRHLFIDEIGKFASTRGS
Complex: ANP_A_5(4IC7) / Model_4(4IC7/A) = [5.3] Download1186.0421.24MILTKVEGPNAAGNKVYVFGVNDYRLEVPERYNVQHFVGRGAYGFVCSAVDAVTNEPVAIKKVTHLFDDAVDAKRVLREVKLLAYLKHPNILSLKDLFKSPDPVDTYSELYVVTDLMESDMDAILRSPRIRLAAGHGQYFTLQLLCALQYIHSAHVLHRDLKPGNLLTDSECNLKLGDFGLARGIGHDDTMTQYVFTRWYRPPELLLVCKHCNYSADMWAVGCLAAEMFTGKPLFPGKDYINQINLIVELLGIPDLARDLPPSTSTEAIHYLSSLPPSKGKKLEEYAPELRRRFDETTFYDSFDTELEEAIAAEGATIARPQPRPPEEYYAEFVDFIFGLLRYNPEKRRTAKESIAHAWLSDVRGPQETIGGCEAERIYRWDADGTAFTIPQLRHLFIDEIGKFASTRGS
Consensus
[pKd Mean = 7.97]
-1240
(s=47)
25
(s=7)
MILTKVEGPNAAGNKVYVFGVNDYRLEVPERYNVQHFVGRGAYGFVCSAVDAVTNEPVAIKKVTHLFDDAVDAKRVLREVKLLAYLKHPNILSLKDLFKSPDPVDTYSELYVVTDLMESDMDAILRSPRIRLAAGHGQYFTLQLLCALQYIHSAHVLHRDLKPGNLLTDSECNLKLGDFGLARGIGHDDTMTQYVFTRWYRPPELLLVCKHCNYSADMWAVGCLAAEMFTGKPLFPGKDYINQINLIVELLGIPDLARDLPPSTSTEAIHYLSSLPPSKGKKLEEYAPELRRRFDETTFYDSFDTELEEAIAAEGATIARPQPRPPEEYYAEFVDFIFGLLRYNPEKRRTAKESIAHAWLSDVRGPQETIGGCEAERIYRWDADGTAFTIPQLRHLFIDEIGKFASTRGS



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]
PHE37O531[O], 1[N], 3[C],
PHE37C932[O], 7[C],
VAL38CB4234[O], 11[N], 27[C],
VAL38C4336[O], 11[N], 26[C],
VAL38CG13533[O], 10[N], 22[C],
VAL38CG24333[O], 12[N], 28[C],
VAL38O4336[O], 11[N], 26[C],
VAL38N2032[O], 5[N], 13[C],
VAL38CA3233[O], 8[N], 21[C],
GLY39C3737[O], 8[N], 21[C], 1[P],
GLY39N4435[O], 11[N], 28[C],
GLY39CA4937[O], 10[N], 31[C], 1[P],
GLY39O2836[O], 5[N], 16[C], 1[P],
ARG40CB1336[O], 6[C], 1[N],
ARG40CA30310[O], 14[C], 3[N], 3[P],
ARG40N3739[O], 19[C], 6[N], 3[P],
ARG40CG1035[O], 5[C],
ARG40CD131[C],
ARG40C32313[O], 14[C], 2[N], 3[P],
ARG40O35313[O], 15[C], 4[N], 3[P],
GLY41O1337[O], 2[C], 1[N], 3[P],
GLY41C18310[O], 4[C], 1[N], 3[P],
GLY41CA24312[O], 8[C], 1[N], 3[P],
GLY41N27313[O], 10[C], 1[N], 3[P],
ALA42O18310[O], 3[C], 2[N], 3[P],
ALA42CB1036[O], 2[N], 2[P],
ALA42CA1236[O], 1[C], 2[N], 3[P],
ALA42C18310[O], 3[C], 2[N], 3[P],
ALA42N1739[O], 4[C], 1[N], 3[P],
TYR43O3539[O], 17[C], 6[N], 3[P],
TYR43C31310[O], 13[C], 5[N], 3[P],
TYR43N2037[O], 6[C], 4[N], 3[P],
TYR43CZ4636[O], 28[C], 10[N], 2[P],
TYR43CA3238[O], 15[C], 6[N], 3[P],
TYR43CE14435[O], 28[C], 9[N], 2[P],
TYR43CE24738[O], 27[C], 10[N], 2[P],
TYR43CD245310[O], 24[C], 8[N], 3[P],
TYR43CD14436[O], 28[C], 8[N], 2[P],
TYR43CB4139[O], 22[C], 7[N], 3[P],
TYR43CG4138[O], 23[C], 8[N], 2[P],
GLY44C19310[O], 5[C], 1[N], 3[P],
GLY44O21312[O], 5[C], 1[N], 3[P],
GLY44N21310[O], 5[C], 3[N], 3[P],
GLY44CA1538[O], 3[C], 1[N], 3[P],
PHE45N1136[O], 2[C], 1[N], 2[P],
PHE45O1635[O], 2[N], 8[C], 1[P],
PHE45CB533[O], 2[C],
PHE45CG131[C],
PHE45CA1235[O], 4[C], 1[N], 2[P],
PHE45CD2131[C],
PHE45C2635[O], 5[N], 14[C], 2[P],
VAL46CG26831[F], 11[O], 39[C], 15[N], 2[P],
VAL46C4033[O], 10[N], 27[C],
VAL46O3234[O], 7[N], 21[C],
VAL46CA5031[F], 6[O], 12[N], 30[C], 1[P],
VAL46N3936[O], 10[N], 22[C], 1[P],
VAL46CG16531[F], 9[O], 14[N], 40[C], 1[P],
VAL46CB6331[F], 9[O], 14[N], 38[C], 1[P],
CYS47N3133[O], 9[N], 19[C],
CYS47C1831[O], 7[N], 10[C],
CYS47CA1232[O], 6[C], 4[N],
CYS47O2531[O], 14[C], 10[N],
SER48OG331[C], 2[N],
SER48N1035[C], 5[N],
SER48CB431[N], 3[C],
SER48CA834[C], 4[N],
VAL58O1336[N], 7[C],
VAL58CA935[N], 4[C],
VAL58C1831[F], 6[N], 11[C],
ALA59N2931[F], 1[O], 16[C], 11[N],
ALA59CA3631[F], 1[O], 22[C], 12[N],
ALA59O2931[F], 1[O], 19[C], 8[N],
ALA59CB4531[F], 2[O], 14[N], 28[C],
ALA59C3331[F], 1[O], 19[C], 12[N],
ILE60CA1731[F], 1[O], 11[C], 4[N],
ILE60CB231[C], 1[N],
ILE60N3031[F], 1[O], 10[N], 18[C],
ILE60C2431[F], 1[O], 6[N], 16[C],
ILE60O2431[F], 2[O], 15[C], 6[N],
LYS61CE5231[F], 12[O], 27[C], 9[N], 3[P],
LYS61O732[N], 5[C],
LYS61N2731[F], 2[O], 7[N], 17[C],
LYS61CA3031[F], 5[O], 7[N], 16[C], 1[P],
LYS61CB4831[F], 7[O], 10[N], 28[C], 2[P],
LYS61CD5531[F], 10[O], 32[C], 10[N], 2[P],
LYS61NZ5331[F], 13[O], 27[C], 9[N], 3[P],
LYS61CG4531[F], 8[O], 26[C], 8[N], 2[P],
LYS61C1233[O], 2[N], 7[C],
LYS62N333[C],
LYS62O332[O], 1[P],
VAL63CG2533[O], 1[N], 1[P],
VAL63CB131[O],
VAL63CG1131[O],
VAL63CA131[O],
LEU66CD2131[O],
ARG75CD734[O], 1[N], 2[P],
ARG75CZ1238[O], 1[N], 3[P],
ARG75CA131[O],
ARG75CG433[O], 1[P],
ARG75CB232[O],
ARG75O432[O], 1[N], 1[C],
ARG75C232[O],
ARG75NE936[O], 1[N], 2[P],
VAL76O131[O],
VAL76C131[O],
VAL76CG2131[O],
ARG78CB331[O], 2[C],
ARG78C731[O], 2[N], 4[C],
ARG78O931[O], 2[N], 6[C],
ARG78NE131[O],
ARG78CA331[O], 2[C],
ARG78CG531[O], 1[N], 3[C],
ARG78N131[O],
ARG78CD431[O], 1[N], 2[C],
GLU79OE13531[F], 9[O], 17[C], 5[N], 3[P],
GLU79C1231[O], 2[N], 9[C],
GLU79CG2635[O], 3[N], 17[C], 1[P],
GLU79CD3331[F], 8[O], 17[C], 5[N], 2[P],
GLU79OE23931[F], 9[O], 5[N], 22[C], 2[P],
GLU79CB1734[O], 10[C], 3[N],
GLU79O1532[O], 2[N], 11[C],
GLU79CA1332[O], 2[N], 9[C],
GLU79N731[O], 2[N], 4[C],
VAL80CA331[O], 2[C],
VAL80O232[C],
VAL80N631[O], 1[N], 4[C],
VAL80C331[O], 2[C],
LYS81C333[C],
LYS81O232[C],
LYS81N131[C],
LEU82CD11532[O], 2[N], 11[C],
LEU82N831[O], 1[N], 6[C],
LEU82CG1331[O], 2[N], 10[C],
LEU82C1432[O], 1[N], 11[C],
LEU82CD21131[O], 10[C],
LEU82O1031[N], 9[C],
LEU82CB1532[O], 2[N], 11[C],
LEU82CA1231[O], 1[N], 10[C],
LEU83CB1632[O], 1[N], 13[C],
LEU83CD12731[F], 3[O], 4[N], 19[C],
LEU83CA1732[O], 1[N], 14[C],
LEU83CD22332[O], 3[N], 18[C],
LEU83CG2232[O], 17[C], 3[N],
LEU83N1632[O], 1[N], 13[C],
LEU83C631[N], 5[C],
LEU83O434[C],
ALA84N232[C],
LEU86CA636[C],
LEU86CD11431[O], 1[N], 12[C],
LEU86CD2838[C],
LEU86N434[C],
LEU86CG1231[O], 1[N], 10[C],
LEU86CB838[C],
ASN90O333[C],
ASN90C131[C],
ILE91CA535[C],
ILE91CG2636[C],
ILE91CB737[C],
ILE91C631[O], 5[C],
ILE91CG1333[C],
ILE91CD1636[C],
ILE91N333[C],
ILE91O333[C],
LEU92C2031[F], 1[O], 16[C], 2[N],
LEU92CG5331[F], 3[O], 35[C], 14[N],
LEU92CD25731[F], 5[O], 15[N], 35[C], 1[P],
LEU92CB4531[F], 1[O], 10[N], 33[C],
LEU92N1531[F], 1[O], 12[C], 1[N],
LEU92CA2531[F], 1[O], 19[C], 4[N],
LEU92CD15631[F], 2[O], 37[C], 16[N],
LEU92O1831[F], 1[O], 14[C], 2[N],
SER93C931[F], 7[C], 1[N],
SER93CA431[F], 2[C], 1[N],
SER93N1631[F], 1[O], 13[C], 1[N],
SER93O1531[F], 2[N], 12[C],
LEU94CD1535[C],
LEU94CD2331[F], 1[N], 1[C],
LEU94CG231[F], 1[C],
LEU94N131[F],
LEU94CA231[F], 1[C],
VAL112CA534[C], 1[N],
VAL112N434[C],
VAL112CB1331[F], 3[N], 9[C],
VAL112CG11431[F], 3[N], 10[C],
VAL112O1531[F], 1[O], 10[C], 3[N],
VAL112C931[F], 1[N], 7[C],
VAL112CG2832[N], 6[C],
VAL113CG1231[C], 1[N],
VAL113C1231[F], 9[C], 2[N],
VAL113N631[F], 4[C], 1[N],
VAL113O931[F], 6[C], 2[N],
VAL113CB131[C],
VAL113CA831[F], 5[C], 2[N],
THR114CB3931[F], 2[O], 24[C], 12[N],
THR114C2731[F], 1[O], 17[C], 8[N],
THR114CA2731[F], 1[O], 18[C], 7[N],
THR114CG23831[F], 3[O], 11[N], 23[C],
THR114OG14431[F], 2[O], 27[C], 14[N],
THR114N2531[F], 1[O], 17[C], 6[N],
THR114O2431[F], 1[O], 15[C], 7[N],
ASP115OD2531[F], 2[C], 2[N],
ASP115N2531[F], 16[C], 8[N],
ASP115O4031[F], 1[O], 25[C], 13[N],
ASP115OD1231[C], 1[N],
ASP115CB1631[F], 6[N], 9[C],
ASP115C3231[F], 1[O], 19[C], 11[N],
ASP115CA2031[F], 12[C], 7[N],
ASP115CG931[F], 4[N], 4[C],
LEU116CB2731[F], 9[N], 17[C],
LEU116CG2931[O], 9[N], 19[C],
LEU116CD222313[C], 9[N],
LEU116CD13231[F], 1[O], 10[N], 20[C],
LEU116O2531[F], 8[N], 16[C],
LEU116N3031[F], 1[O], 17[C], 11[N],
LEU116C3331[F], 20[C], 12[N],
LEU116CA3331[F], 1[O], 20[C], 11[N],
MET117CB4531[F], 1[O], 13[N], 30[C],
MET117CG4331[F], 1[O], 28[C], 13[N],
MET117SD2931[F], 9[N], 19[C],
MET117O4731[F], 2[O], 13[N], 31[C],
MET117CE1837[N], 11[C],
MET117CA4031[F], 12[N], 27[C],
MET117C3731[F], 11[N], 25[C],
MET117N3931[F], 1[O], 12[N], 25[C],
GLU118CG731[N], 6[C],
GLU118CA2538[N], 17[C],
GLU118CD433[C], 1[N],
GLU118OE1634[C], 2[N],
GLU118C2738[N], 19[C],
GLU118N3038[N], 22[C],
GLU118OE2333[C],
GLU118O2832[O], 18[C], 8[N],
GLU118CB15311[C], 4[N],
SER119CB1732[N], 15[C],
SER119N2831[O], 8[N], 19[C],
SER119O4032[O], 10[N], 28[C],
SER119C3432[O], 10[N], 22[C],
SER119OG1633[N], 13[C],
SER119CA3032[O], 9[N], 19[C],
ASP120N3332[O], 7[N], 24[C],
ASP120OD24034[O], 6[N], 30[C],
ASP120C1631[O], 2[N], 13[C],
ASP120OD12433[O], 2[N], 19[C],
ASP120CB3933[O], 7[N], 29[C],
ASP120O1332[N], 11[C],
ASP120CA3232[O], 5[N], 25[C],
ASP120CG3533[O], 5[N], 27[C],
MET121O232[C],
MET121C331[N], 2[C],
MET121N731[N], 6[C],
MET121CA232[C],
ASP122CG831[N], 7[C],
ASP122OD1731[N], 6[C],
ASP122CB932[N], 7[C],
ASP122N631[N], 5[C],
ASP122CA731[N], 6[C],
ASP122O531[N], 4[C],
ASP122C932[N], 7[C],
ASP122OD2932[N], 7[C],
ALA123N1032[N], 8[C],
ALA123CB1631[O], 2[N], 13[C],
ALA123O232[C],
ALA123C531[N], 4[C],
ALA123CA1032[N], 8[C],
ILE124N333[C],
ARG126CD232[C],
ARG126NE131[C],
ARG126CB131[C],
ARG126CZ232[C],
ALA147O232[C],
ALA147CB232[C],
ALA147C131[C],
LEU148CD2333[C],
TYR150CD1131[C],
TYR150CE1131[C],
ILE151C232[C],
ILE151CD1737[C],
ILE151CG2636[C],
ILE151O232[C],
ILE151N131[C],
ILE151CA333[C],
ILE151CG1636[C],
ILE151CB535[C],
VAL156CG1737[C],
VAL156C333[C],
VAL156CA333[C],
VAL156O232[C],
VAL156CB434[C],
VAL156CG2333[C],
LEU157N333[C],
LEU157O434[C],
LEU157CA232[C],
LEU157C434[C],
HIS158CB636[C],
HIS158C434[C],
HIS158CA636[C],
HIS158CD21031[O], 9[C],
HIS158NE21431[O], 1[N], 12[C],
HIS158ND1636[C],
HIS158N434[C],
HIS158CG636[C],
HIS158CE1931[O], 1[N], 7[C],
HIS158O535[C],
ARG159N232[C],
ASP160OD2735[O], 1[N], 1[P],
ASP160OD1131[O],
ASP160CB131[O],
ASP160CG332[O], 1[P],
ASP160O131[O],
LEU161CG232[C],
LEU161CD2333[C],
LYS162CD331[O], 2[C],
LYS162CG131[C],
LYS162NZ936[O], 1[C], 1[N], 1[P],
LYS162CE936[O], 2[C], 1[P],
PRO163O631[O], 1[N], 4[C],
PRO163N131[C],
PRO163CA131[C],
PRO163CB232[C],
PRO163C531[N], 4[C],
GLY164CA2033[O], 2[N], 15[C],
GLY164C2935[O], 3[N], 21[C],
GLY164O5137[O], 9[N], 34[C], 1[P],
GLY164N932[O], 1[N], 6[C],
ASN165O2034[O], 3[N], 13[C],
ASN165N1534[O], 1[N], 10[C],
ASN165C1233[O], 1[N], 8[C],
ASN165OD133311[O], 15[C], 4[N], 3[P],
ASN165CB1737[O], 1[N], 8[C], 1[P],
ASN165ND21437[O], 1[N], 5[C], 1[P],
ASN165CG2339[O], 8[C], 3[N], 3[P],
ASN165CA2037[O], 1[N], 11[C], 1[P],
LEU166O1031[O], 9[C],
LEU166C731[O], 6[C],
LEU166CA232[C],
LEU166N932[O], 7[C],
LEU167N3031[O], 9[N], 20[C],
LEU167CA4031[O], 11[N], 28[C],
LEU167O232[C],
LEU167C1936[N], 13[C],
LEU167CD26131[F], 7[O], 14[N], 38[C], 1[P],
LEU167CG6031[F], 7[O], 14[N], 38[C],
LEU167CD16331[F], 7[O], 14[N], 40[C], 1[P],
LEU167CB4831[F], 2[O], 12[N], 33[C],
THR168N1836[N], 12[C],
THR168C832[N], 6[C],
THR168OG1131[C],
THR168CA531[N], 4[C],
THR168O17311[C], 6[N],
LYS175CB431[F], 2[C], 1[N],
LYS175C333[C],
LYS175CE131[N],
LYS175O433[C], 1[N],
LYS175CD731[F], 3[N], 3[C],
LEU176CB731[O], 6[C],
LEU176CG831[O], 7[C],
LEU176N333[C],
LEU176CA731[O], 6[C],
LEU176O2031[F], 1[O], 2[N], 16[C],
LEU176CD2636[C],
LEU176CD1636[C],
LEU176C1831[F], 1[O], 1[N], 15[C],
GLY177O3034[O], 4[N], 21[C], 1[P],
GLY177C4431[F], 8[O], 6[N], 27[C], 2[P],
GLY177CA4931[F], 6[O], 8[N], 33[C], 1[P],
GLY177N3231[F], 3[O], 5[N], 23[C],
ASP178N5331[F], 11[O], 31[C], 7[N], 3[P],
ASP178CA48311[O], 28[C], 6[N], 3[P],
ASP178C41310[O], 23[C], 5[N], 3[P],
ASP178CG43312[O], 23[C], 5[N], 3[P],
ASP178OD140312[O], 20[C], 5[N], 3[P],
ASP178O3839[O], 4[N], 22[C], 3[P],
ASP178OD245314[O], 23[C], 5[N], 3[P],
ASP178CB48312[O], 28[C], 5[N], 3[P],
PHE179CD22032[O], 14[C], 4[N],
PHE179N3339[O], 4[N], 18[C], 2[P],
PHE179O1233[O], 7[C], 2[N],
PHE179CZ2432[O], 18[C], 4[N],
PHE179CG2332[O], 15[C], 6[N],
PHE179CE12532[O], 18[C], 5[N],
PHE179CA2135[O], 3[N], 13[C],
PHE179C1636[O], 8[C], 2[N],
PHE179CE22232[O], 16[C], 4[N],
PHE179CB1832[O], 13[C], 3[N],
PHE179CD12632[O], 17[C], 7[N],
GLY180O1433[O], 2[N], 9[C],
GLY180N1836[O], 2[N], 8[C], 2[P],
GLY180CA1135[O], 3[C], 2[N], 1[P],
GLY180C1235[O], 5[C], 2[N],
LEU181CB432[O], 1[N], 1[C],
LEU181CD1534[O], 1[P],
LEU181O431[O], 1[N], 2[C],
LEU181CD2633[O], 1[N], 1[C], 1[P],
LEU181N733[O], 2[C], 2[N],
LEU181CG835[O], 1[N], 1[C], 1[P],
LEU181CA732[O], 3[C], 2[N],
LEU181C631[O], 3[C], 2[N],
ALA182CA1232[O], 2[N], 8[C],
ALA182O531[O], 1[N], 3[C],
ALA182CB1532[O], 2[N], 11[C],
ALA182C731[O], 1[N], 5[C],
ALA182N1232[O], 2[N], 8[C],
ARG183N731[O], 1[N], 5[C],
ARG183O331[O], 2[C],
VAL195CG2232[O],
ASP217OD2232[C],
Total = 406



Download csv file of statistical distribution of contacts