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 :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: PEP_A_4(1OFA) / Model_105(1OFA/A) = [5.6] Download250.50-1.08MNALNTLLTQSNTKETPVSLPVQLKAKYPLVQTFARQIAEHRQIIQNILTGKDQRLMVITGPCSIHDPVAVLEYADRLQKLQEKVKDQIFIVMRAYIEKPRTTVGWKGFMYDPNLDGSSNLQLGLEKSRELYLQIIEKGLPIASEILSPMATGYFDDLLAWGAIGARTSESQIHREISSHMPYSIGFKNGTDGSIQIALDAIQSAQNEHQFLGMNQQGLPSVIQSAGNPLSHLILRGANHGPNYDLASIQAIREKHKQNLPALVIDCSHGNSGKDPLRQPEVLQQIVAERLKTQVKGVMIESHLVDGNQKISCEMTYGQSVTDGCLGWDKTEQLLLNVAKQLKASELAHSA
Complex: PGA_A_3(1OFO) / Model_102(1OFO/A) = [4.1] Download274.965.93MNALNTLLTQSNTKETPVSLPVQLKAKYPLVQTFARQIAEHRQIIQNILTGKDQRLMVITGPCSIHDPVAVLEYADRLQKLQEKVKDQIFIVMRAYIEKPRTTVGWKGFMYDPNLDGSSNLQLGLEKSRELYLQIIEKGLPIASEILSPMATGYFDDLLAWGAIGARTSESQIHREISSHMPYSIGFKNGTDGSIQIALDAIQSAQNEHQFLGMNQQGLPSVIQSAGNPLSHLILRGANHGPNYDLASIQAIREKHKQNLPALVIDCSHGNSGKDPLRQPEVLQQIVAERLKTQVKGVMIESHLVDGNQKISCEMTYGQSVTDGCLGWDKTEQLLLNVAKQLKASELAHSA
Consensus
[pKd Mean = 4.85]		-262
(s=12)		2
(s=3)		MNALNTLLTQSNTKETPVSLPVQLKAKYPLVQTFARQIAEHRQIIQNILTGKDQRLMVITGPCSIHDPVAVLEYADRLQKLQEKVKDQIFIVMRAYIEKPRTTVGWKGFMYDPNLDGSSNLQLGLEKSRELYLQIIEKGLPIASEILSPMATGYFDDLLAWGAIGARTSESQIHREISSHMPYSIGFKNGTDGSIQIALDAIQSAQNEHQFLGMNQQGLPSVIQSAGNPLSHLILRGANHGPNYDLASIQAIREKHKQNLPALVIDCSHGNSGKDPLRQPEVLQQIVAERLKTQVKGVMIESHLVDGNQKISCEMTYGQSVTDGCLGWDKTEQLLLNVAKQLKASELAHSA



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]
ILE593HG2222[O],
ILE59HB222[O],
ILE591HG2222[O],
GLY61O121[O],
PRO62C422[C], 2[O],
PRO62O624[O], 2[C],
CYS63HA1126[O], 5[C],
CYS63H222[O],
CYS63CB925[C], 4[O],
CYS63C924[O], 5[C],
CYS63N622[C], 4[O],
CYS63SG1125[C], 6[O],
CYS631HB924[O], 5[C],
CYS63O925[C], 4[O],
CYS632HB422[O], 2[C],
CYS63CA925[C], 4[O],
SER642HB422[O], 2[C],
SER64HA321[C], 2[O],
SER64CB222[O],
SER64H222[O],
SER64CA222[O],
SER64N422[O], 2[C],
SER641HB121[O],
ARG941HH21125[C], 6[O],
ARG94NH21425[C], 2[P], 7[O],
ARG942HB622[C], 4[O],
ARG94CD723[C], 4[O],
ARG94NE1125[C], 6[O],
ARG941HG624[O], 2[C],
ARG941HB222[O],
ARG942HG424[O],
ARG94HE924[O], 5[C],
ARG942HH11925[C], 12[O], 2[P],
ARG94NH11822[P], 11[O], 5[C],
ARG94CG624[O], 2[C],
ARG94CZ1221[P], 6[O], 5[C],
ARG942HD622[C], 4[O],
ARG94CB521[C], 4[O],
ARG941HH11522[P], 8[O], 5[C],
ARG941HD1026[O], 4[C],
ARG942HH21925[C], 12[O], 2[P],
TYR96OH1622[P], 9[O], 5[C],
TYR96HH1725[C], 2[P], 10[O],
TYR96N222[O],
TYR962HB925[C], 4[O],
TYR96HE1622[C], 4[O],
TYR96HD1622[C], 4[O],
TYR961HB924[O], 5[C],
TYR96HE219212[O], 2[P], 5[C],
TYR96CZ1328[O], 5[C],
TYR96CD1824[C], 4[O],
TYR96CA222[O],
TYR96H222[O],
TYR96HD21525[C], 2[P], 8[O],
TYR96O121[O],
TYR96CG925[C], 4[O],
TYR96CB925[C], 4[O],
TYR96CE1924[O], 5[C],
TYR96CE21625[C], 2[P], 9[O],
TYR96C222[O],
TYR96CD21525[C], 2[P], 8[O],
TYR96HA222[O],
GLU98C321[C], 2[O],
GLU98O823[O], 5[C],
GLU98H222[O],
LYS99CB522[O], 3[C],
LYS991HZ1825[C], 11[O], 2[P],
LYS991HG322[O], 1[C],
LYS99N322[O], 1[C],
LYS99O121[C],
LYS99NZ17210[O], 2[P], 5[C],
LYS991HD1025[O], 5[C],
LYS993HZ1925[C], 2[P], 12[O],
LYS992HB622[O], 4[C],
LYS992HG322[O], 1[C],
LYS99HA1227[O], 5[C],
LYS99CE1425[C], 8[O], 1[P],
LYS992HE17210[O], 2[P], 5[C],
LYS99CA722[O], 5[C],
LYS99C422[C], 2[O],
LYS991HB121[C],
LYS99CG422[C], 2[O],
LYS99CD925[C], 4[O],
LYS992HD925[C], 4[O],
LYS991HE1125[C], 6[O],
LYS992HZ1622[P], 9[O], 5[C],
PRO100O1224[C], 2[P], 6[O],
PRO1002HD1725[C], 2[P], 10[O],
PRO100CD18211[O], 2[P], 5[C],
PRO100CB1224[C], 6[O], 2[P],
PRO100CG1925[C], 2[P], 12[O],
PRO100CA724[O], 1[P], 2[C],
PRO1002HG1922[P], 12[O], 5[C],
PRO100N1224[C], 1[P], 7[O],
PRO1002HB822[C], 5[O], 1[P],
PRO1001HB1023[C], 5[O], 2[P],
PRO1001HD19212[O], 2[P], 5[C],
PRO100HA121[C],
PRO100C522[C], 3[O],
PRO1001HG19212[O], 2[P], 5[C],
ARG101HA121[C],
ARG1011HD121[C],
ARG101N121[C],
SER144HA423[O], 1[C],
SER144C423[O], 1[C],
GLU1452HB1425[C], 1[P], 8[O],
GLU145H925[C], 4[O],
GLU145N824[C], 4[O],
GLU1452HG1625[C], 9[O], 2[P],
GLU1451HG1125[C], 6[O],
GLU145CA1025[C], 5[O],
GLU145CB1522[P], 8[O], 5[C],
GLU145OE11925[C], 2[P], 12[O],
GLU145OE219212[O], 2[P], 5[C],
GLU145HA1125[C], 6[O],
GLU1451HB1922[P], 12[O], 5[C],
GLU145CD1925[C], 2[P], 12[O],
GLU145CG1525[C], 2[P], 8[O],
LEU1471HD2422[C], 2[O],
LEU1472HD1322[O], 1[C],
LEU147CD2121[C],
LEU1471HB221[C], 1[O],
TRP161CZ2222[O],
TRP161CZ3624[O], 2[C],
TRP161HH21324[C], 9[O],
TRP161HZ2222[O],
TRP161CH2624[O], 2[C],
TRP161HZ3622[C], 4[O],
ALA163CB1725[C], 2[P], 10[O],
ALA1633HB1722[P], 10[O], 5[C],
ALA1632HB17210[O], 2[P], 5[C],
ALA163C424[O],
ALA163HA222[O],
ALA1631HB1324[C], 9[O],
ALA163CA521[C], 4[O],
ALA163O222[O],
ILE164C1725[C], 2[P], 10[O],
ILE164HB222[O],
ILE164CG2222[O],
ILE164O17210[O], 2[P], 5[C],
ILE164N222[O],
ILE164CA222[O],
ILE1641HG2222[O],
ILE1642HG2222[O],
ILE164CB222[O],
ILE164H222[O],
ILE164HA222[O],
GLY165C1725[C], 10[O], 2[P],
GLY165CA1922[P], 12[O], 5[C],
GLY165H1822[P], 11[O], 5[C],
GLY1651HA1925[C], 12[O], 2[P],
GLY165N1922[P], 12[O], 5[C],
GLY1652HA1925[C], 12[O], 2[P],
GLY165O1328[O], 2[P], 3[C],
ALA166H1925[C], 12[O], 2[P],
ALA166HA1323[C], 2[P], 8[O],
ALA1663HB1323[C], 8[O], 2[P],
ALA166CB1629[O], 2[P], 5[C],
ALA1661HB17210[O], 2[P], 5[C],
ALA166C1228[O], 2[P], 2[C],
ALA166O822[P], 6[O],
ALA1662HB1722[P], 10[O], 5[C],
ALA166N1925[C], 12[O], 2[P],
ALA166CA1323[C], 2[P], 8[O],
ARG167NH21528[O], 2[P], 5[C],
ARG167HE825[O], 2[P], 1[C],
ARG167H1424[C], 8[O], 2[P],
ARG1672HG1323[C], 8[O], 2[P],
ARG1672HB521[P], 4[O],
ARG1671HG722[P], 5[O],
ARG167CB921[C], 6[O], 2[P],
ARG1671HB1323[C], 8[O], 2[P],
ARG1671HD1328[O], 2[P], 3[C],
ARG167CD1322[P], 8[O], 3[C],
ARG1672HD721[C], 4[O], 2[P],
ARG167CG1122[P], 7[O], 2[C],
ARG167CZ1525[C], 2[P], 8[O],
ARG167NE1323[C], 8[O], 2[P],
ARG167HA826[O], 2[P],
ARG1671HH119212[O], 2[P], 5[C],
ARG167CA822[P], 6[O],
ARG1672HH11925[C], 12[O], 2[P],
ARG167N1323[C], 8[O], 2[P],
ARG1672HH21925[C], 2[P], 12[O],
ARG167O121[O],
ARG167C322[O], 1[P],
ARG167NH11922[P], 12[O], 5[C],
ARG1671HH21328[O], 2[P], 3[C],
THR168N422[O], 2[P],
THR168H1027[O], 2[P], 1[C],
THR168HG1222[O],
THR168CB222[O],
THR1682HG2222[O],
THR168OG1321[P], 2[O],
THR168CA222[O],
SER169N222[O],
SER1692HB424[O],
SER169CB121[O],
SER169H624[O], 2[P],
PHE187HA222[O],
PHE187C424[O],
LYS1881HG1922[P], 12[O], 5[C],
LYS1882HE1925[C], 12[O], 2[P],
LYS1882HZ1925[C], 12[O], 2[P],
LYS188NZ1925[C], 12[O], 2[P],
LYS1881HZ1925[C], 12[O], 2[P],
LYS188CG1925[C], 12[O], 2[P],
LYS1881HE1922[P], 12[O], 5[C],
LYS1882HG1925[C], 2[P], 12[O],
LYS188N826[O], 2[P],
LYS1881HB1722[P], 10[O], 5[C],
LYS188CB1722[P], 10[O], 5[C],
LYS1883HZ1925[C], 2[P], 12[O],
LYS1882HB1725[C], 2[P], 10[O],
LYS188C826[O], 2[P],
LYS188H927[O], 2[P],
LYS188CE1922[P], 12[O], 5[C],
LYS188CA1028[O], 2[P],
LYS188HA1129[O], 2[P],
LYS188CD1925[C], 2[P], 12[O],
LYS1882HD19212[O], 2[P], 5[C],
LYS1881HD19212[O], 2[P], 5[C],
LYS188O624[O], 2[P],
ASN189ND2222[O],
ASN189N624[O], 2[P],
ASN189H622[P], 4[O],
ASN189CA222[O],
ASN189HA222[O],
ASN189CG222[O],
ASN189C722[P], 5[O],
ASN1892HD2222[O],
ASN189OD1222[O],
ASN189O1028[O], 2[P],
ASN189CB222[O],
ASN1891HD2421[P], 3[O],
GLY190O323[O],
GLY190C625[O], 1[P],
GLY190N222[O],
GLY1901HA725[O], 2[P],
GLY190CA222[O],
THR191CA722[P], 5[O],
THR1911HG21323[C], 8[O], 2[P],
THR191HB524[O], 1[P],
THR191N822[P], 6[O],
THR191OG1121[O],
THR191HA822[P], 6[O],
THR191H721[P], 6[O],
THR1913HG2822[P], 6[O],
THR1912HG2927[O], 2[P],
THR191CG2922[P], 7[O],
THR191CB822[P], 6[O],
ILE234CG2721[P], 6[O],
ILE2343HG21422[P], 8[O], 4[C],
ILE2341HG2922[P], 7[O],
ILE2343HD1222[O],
ILE2342HD11222[P], 7[O], 3[C],
ILE234O222[O],
ILE234C222[O],
ILE2341HD11121[C], 8[O], 2[P],
ILE234CD1626[O],
ILE234CB222[O],
ILE2342HG2323[O],
ILE234HB1028[O], 2[P],
LEU235C222[O],
LEU235O222[O],
ARG236NE17210[O], 2[P], 5[C],
ARG236H222[O],
ARG2362HH11028[O], 2[P],
ARG236CG1722[P], 10[O], 5[C],
ARG236HE1925[C], 2[P], 12[O],
ARG236NH21725[C], 10[O], 2[P],
ARG236C822[P], 6[O],
ARG236O1022[P], 8[O],
ARG236CA822[P], 6[O],
ARG2361HH21925[C], 2[P], 12[O],
ARG236CZ1722[P], 10[O], 5[C],
ARG2361HD1228[O], 2[P], 2[C],
ARG2362HB1624[C], 2[P], 10[O],
ARG2362HH21528[O], 2[P], 5[C],
ARG236N422[O], 2[P],
ARG236CB1624[C], 10[O], 2[P],
ARG2361HG1825[C], 11[O], 2[P],
ARG2362HD1022[P], 8[O],
ARG2362HG13210[O], 2[P], 1[C],
ARG236NH11228[O], 2[P], 2[C],
ARG236HA822[P], 6[O],
ARG2361HB17210[O], 2[P], 5[C],
ARG2361HH11028[O], 2[P],
ARG236CD1522[P], 10[O], 3[C],
GLY237C222[O],
GLY237O521[P], 4[O],
GLY237N222[O],
GLY237CA121[O],
GLY237H222[O],
ALA238HA424[O],
ALA2381HB323[O],
ASP266HA222[O],
ASP2661HB1422[P], 8[O], 4[C],
ASP266OD11624[C], 10[O], 2[P],
ASP266CG1922[P], 12[O], 5[C],
ASP266CA424[O],
ASP266OD21925[C], 2[P], 12[O],
ASP2662HB1428[O], 2[P], 4[C],
ASP266CB1327[O], 2[P], 4[C],
ASP266H121[O],
SER268CB1026[O], 4[C],
SER268O1222[C], 8[O], 2[P],
SER268C1424[C], 2[P], 8[O],
SER268H621[C], 5[O],
SER268OG1024[C], 6[O],
SER268HG1026[O], 4[C],
SER268N222[O],
SER268CA524[O], 1[C],
SER2681HB523[O], 2[C],
SER2682HB1725[C], 2[P], 10[O],
HIS269CD21925[C], 12[O], 2[P],
HIS269HE119212[O], 2[P], 5[C],
HIS2692HB1922[P], 12[O], 5[C],
HIS269H1725[C], 10[O], 2[P],
HIS269HA1925[C], 2[P], 12[O],
HIS269CE11925[C], 12[O], 2[P],
HIS269CB1925[C], 2[P], 12[O],
HIS269N1725[C], 10[O], 2[P],
HIS269HD21925[C], 12[O], 2[P],
HIS269NE21922[P], 12[O], 5[C],
HIS269ND11922[P], 12[O], 5[C],
HIS2691HB1925[C], 12[O], 2[P],
HIS269O424[O],
HIS269CA1925[C], 12[O], 2[P],
HIS269C1026[O], 2[P], 2[C],
HIS269HD119212[O], 2[P], 5[C],
HIS269CG1925[C], 2[P], 12[O],
GLY270N1022[C], 6[O], 2[P],
GLY270H17210[O], 2[P], 5[C],
GLY2702HA624[O], 2[P],
GLY270CA624[O], 2[P],
GLY2701HA424[O],
ASN271N121[O],
ASN271H525[O],
MET2991HE1024[C], 6[O],
MET299HA121[O],
MET2992HE826[O], 2[C],
MET2991HB322[O], 1[C],
MET299SD17210[O], 2[P], 5[C],
MET2992HG725[O], 2[C],
MET299CB422[O], 2[C],
MET2993HE1725[C], 10[O], 2[P],
MET2992HB622[C], 4[O],
MET299C222[O],
MET2991HG1024[C], 6[O],
MET299CG1026[O], 4[C],
MET299CE1224[C], 8[O],
MET299CA222[O],
MET299O121[O],
ILE300N222[O],
ILE300O222[O],
ILE300C222[O],
ILE300H222[O],
GLU3011HB624[O], 2[C],
GLU3012HG1125[C], 6[O],
GLU301N222[O],
GLU301CB622[C], 4[O],
GLU3012HB624[O], 2[C],
GLU3011HG1125[C], 6[O],
GLU301CA524[O], 1[C],
GLU301CG1125[C], 6[O],
GLU301OE21629[O], 2[P], 5[C],
GLU301H222[O],
GLU301HA622[C], 4[O],
GLU301OE11325[C], 8[O],
GLU301CD1522[P], 8[O], 5[C],
THR3223HG2121[O],
THR322CB121[O],
THR322OG1222[O],
THR322HG1422[C], 2[O],
THR322HB422[O], 2[C],
ASP323OD21025[O], 5[C],
ASP323CG1428[O], 1[P], 5[C],
ASP323OD11925[C], 12[O], 2[P],
ASP323N121[O],
ASP323CB823[O], 5[C],
ASP323H522[O], 3[C],
ASP3231HB1126[O], 5[C],
ASP3232HB725[C], 2[O],
Total = 384



Download csv file of statistical distribution of contacts