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 :C9_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 C9_S1
Complex: DAS_B_6(1HG1) / Model_93(1HG1/B) = [4.8] Download349.642.33MLTKTVKSFGLAMGLLACSLPLYAKNNVVVVATGGTIAGAGASSANSATYTAAKVPVDALINAVPQIQDLANVSGIQALQVASESITDKELLQIARQVNELVKKPTVNGVVITHGTDTLEETAFFLNLVVHTDKPIVLVGSMRPSTALSADGPLNLYSAVALAASDDAKNKGVMVLMNDSIFAARDVTKGINIHTNAFVSQWGALGTLVEGKPYWFRQSVKRHTNASEFNIENIKGDALPTVQIVYGSDSMLPDAYEAYAKAGAKAIIHAGTGNGSVAKYIVPTLQNLHDQNGIQIIRSSRVPQGFVLRDAEQPDSKYGWVAAHDLNPQKARLLAALALTKTNDAKEIQRMFWQY
Complex: GLU_D_8(5HW0) / Model_67(5HW0/D) = [4.5] Download4487.4028.72MLTKTVKSFGLAMGLLACSLPLYAKNNVVVVATGGTIAGAGASSANSATYTAAKVPVDALINAVPQIQDLANVSGIQALQVASESITDKELLQIARQVNELVKKPTVNGVVITHGTDTLEETAFFLNLVVHTDKPIVLVGSMRPSTALSADGPLNLYSAVALAASDDAKNKGVMVLMNDSIFAARDVTKGINIHTNAFVSQWGALGTLVEGKPYWFRQSVKRHTNASEFNIENIKGDALPTVQIVYGSDSMLPDAYEAYAKAGAKAIIHAGTGNGSVAKYIVPTLQNLHDQNGIQIIRSSRVPQGFVLRDAEQPDSKYGWVAAHDLNPQKARLLAALALTKTNDAKEIQRMFWQY
Consensus
[pKd Mean = 4.65]		-2418
(s=2068)		15
(s=13)		MLTKTVKSFGLAMGLLACSLPLYAKNNVVVVATGGTIAGAGASSANSATYTAAKVPVDALINAVPQIQDLANVSGIQALQVASESITDKELLQIARQVNELVKKPTVNGVVITHGTDTLEETAFFLNLVVHTDKPIVLVGSMRPSTALSADGPLNLYSAVALAASDDAKNKGVMVLMNDSIFAARDVTKGINIHTNAFVSQWGALGTLVEGKPYWFRQSVKRHTNASEFNIENIKGDALPTVQIVYGSDSMLPDAYEAYAKAGAKAIIHAGTGNGSVAKYIVPTLQNLHDQNGIQIIRSSRVPQGFVLRDAEQPDSKYGWVAAHDLNPQKARLLAALALTKTNDAKEIQRMFWQY



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]
THR33OG1222[O],
THR33O423[O], 1[C],
THR33C323[O],
GLY34C1528[C], 7[O],
GLY34O1427[O], 7[C],
GLY34CA724[O], 3[C],
GLY34N423[O], 1[C],
GLY35N1929[C], 8[O], 2[N],
GLY35CA1928[O], 9[C], 2[N],
GLY35O1929[C], 8[O], 2[N],
GLY35C1922[N], 8[O], 9[C],
THR36OG11929[C], 8[O], 2[N],
THR36CB1922[N], 8[O], 9[C],
THR36N1928[O], 9[C], 2[N],
THR36C1728[O], 9[C],
THR36O1327[C], 6[O],
THR36CG21922[N], 8[O], 9[C],
THR36CA1929[C], 8[O], 2[N],
ILE37C322[O], 1[C],
ILE37CG1121[O],
ILE37N1729[C], 8[O],
ILE37CB523[O], 2[C],
ILE37CG2724[O], 3[C],
ILE37CD1121[O],
ILE37CA824[O], 4[C],
ALA38CB121[O],
ALA38CA121[O],
ALA38N523[C], 2[O],
ALA38O121[O],
ALA38C121[O],
GLY39CA121[C],
GLY39N221[C], 1[O],
SER47O121[O],
TYR50CZ1025[C], 4[O], 1[N],
TYR50CG521[O], 4[C],
TYR50CE2721[N], 4[C], 2[O],
TYR50CE11025[C], 4[O], 1[N],
TYR50CD1923[O], 5[C], 1[N],
TYR50CD2521[O], 4[C],
THR51C421[O], 3[C],
ALA52N721[N], 5[C], 1[O],
ALA52C621[N], 4[C], 1[O],
ALA52CB1021[N], 5[C], 4[O],
ALA52O322[C], 1[O],
ALA52CA923[O], 5[C], 1[N],
ALA53N521[O], 4[C],
ALA53CA121[O],
ALA53CB221[O], 1[C],
GLN80CG121[O],
GLN80C121[O],
VAL81N423[O], 1[C],
VAL81O1626[O], 8[C], 2[N],
VAL81CG2421[C], 3[O],
VAL81CB421[C], 3[O],
VAL81C1425[O], 7[C], 2[N],
VAL81CA523[O], 2[C],
VAL81CG1321[C], 2[O],
ALA82O1628[C], 6[O], 2[N],
ALA82CB1722[N], 9[C], 6[O],
ALA82C1722[N], 9[C], 6[O],
ALA82CA1827[O], 9[C], 2[N],
ALA82N1622[N], 8[C], 6[O],
SER83OG1929[C], 8[O], 2[N],
SER83CB1929[C], 8[O], 2[N],
SER83C1622[N], 6[O], 8[C],
SER83O1122[N], 4[O], 5[C],
SER83N1928[O], 9[C], 2[N],
SER83CA1827[O], 9[C], 2[N],
GLU84C822[C], 4[O], 2[N],
GLU84CB1427[C], 5[O], 2[N],
GLU84N1622[N], 8[C], 6[O],
GLU84CG1425[O], 7[C], 2[N],
GLU84CD1628[C], 6[O], 2[N],
GLU84OE11928[O], 9[C], 2[N],
GLU84OE21628[C], 6[O], 2[N],
GLU84CA1427[C], 5[O], 2[N],
GLU84O322[N], 1[O],
SER85CA222[O],
SER85CB222[O],
SER85OG322[O], 1[C],
SER85N924[O], 3[C], 2[N],
ILE86N222[O],
ILE86CD1222[O],
ILE86CG1521[C], 4[O],
HIS114C1821[N], 9[C], 8[O],
HIS114CA1225[C], 7[O],
HIS114CE1722[C], 5[O],
HIS114N424[O],
HIS114NE2424[O],
HIS114CG822[C], 6[O],
HIS114CD2222[O],
HIS114O1729[C], 8[O],
HIS114ND11125[C], 6[O],
HIS114CB626[O],
GLY115N1922[N], 8[O], 9[C],
GLY115O1922[N], 8[O], 9[C],
GLY115CA1922[N], 9[C], 8[O],
GLY115C1922[N], 8[O], 9[C],
THR116O1627[C], 7[O], 2[N],
THR116CB1829[C], 7[O], 2[N],
THR116CG21822[N], 9[C], 7[O],
THR116OG11922[N], 9[C], 8[O],
THR116C1822[N], 9[C], 7[O],
THR116N1922[N], 9[C], 8[O],
THR116CA1928[O], 9[C], 2[N],
ASP117O1022[N], 4[C], 4[O],
ASP117CB1922[N], 9[C], 8[O],
ASP117CG1922[N], 8[O], 9[C],
ASP117OD11922[N], 9[C], 8[O],
ASP117N1922[N], 8[O], 9[C],
ASP117OD21929[C], 8[O], 2[N],
ASP117CA1827[O], 9[C], 2[N],
ASP117C1627[C], 7[O], 2[N],
THR118O222[O],
THR118OG1722[C], 4[O], 1[N],
THR118CB523[O], 2[C],
THR118CA722[C], 5[O],
THR118N1727[O], 8[C], 2[N],
THR118CG2822[C], 4[O], 2[N],
THR118C422[O], 2[C],
LEU119CA222[O],
LEU119CD2121[O],
LEU119CB521[C], 4[O],
LEU119N725[O], 2[C],
VAL139C121[O],
VAL139O121[O],
GLY140O321[C], 2[O],
GLY140N221[C], 1[O],
GLY140CA623[C], 3[O],
GLY140C523[O], 2[C],
SER141OG523[O], 2[C],
SER141CA723[O], 4[C],
SER141CB522[C], 3[O],
SER141C1024[O], 6[C],
SER141O1829[C], 8[O], 1[N],
SER141N824[C], 4[O],
MET142N724[C], 3[O],
MET142CE724[C], 3[O],
MET142CG623[C], 3[O],
MET142C923[O], 6[C],
MET142CB623[C], 3[O],
MET142CA825[C], 3[O],
MET142O1027[C], 3[O],
MET142SD1125[O], 6[C],
ARG143C522[C], 3[O],
ARG143O522[C], 3[O],
ARG143N623[C], 3[O],
ARG143CB121[O],
ARG143CA422[O], 2[C],
PRO144CA523[C], 2[O],
PRO144CD221[C], 1[O],
PRO144N422[C], 2[O],
ASP151CG121[O],
ASP151OD1222[O],
ASP151OD2322[O], 1[C],
MET177SD321[C], 2[O],
MET177CE322[O], 1[C],
LYS189CG121[O],
LYS189CD924[C], 5[O],
LYS189CE1422[N], 7[C], 5[O],
LYS189NZ1622[N], 8[C], 6[O],
ASN192C121[O],
ASN192O321[O], 2[C],
ILE193CA121[O],
PHE198CE2421[C], 3[O],
PHE198CZ521[C], 4[O],
Total = 166



Download csv file of statistical distribution of contacts