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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAP_A_4(4NHE) / Model_1(4NHE/A) = [9.0] Download1708.5621.53MINLGIIGTNWITHQFVQAALSTKKYELTAVYSRHLEKAQEFGSHYEGDIEFATDLKTFFNITHMDTIYIASPNSLHFSQAKQAILAGKNVIVEKPAFSTPKEMDEIIHLANEHNVYFFEAARNIHESGFKKIADYLPLKDEIIGANFSYMKYSSRYDQVLDGEEPNIFSTHFSGGALMDLGVYLVYAAVAWFGMPKEVHYFPRKISTGVDGLGWGILRYENFDVSIQPGKIGDSYLPSEIYFDSGTLVMNGVNAIEQAQFHDRAHKEIIDLAVTAAENPMADEAEDFANVMAHPKDPAWGLLYEEWIELARNVNQVIYDLRKNGGIKFDADNEEDF
Complex: FMT_A_5(4NHE) / Model_1(4NHE/A) = [3.2] Download454.0722.36MINLGIIGTNWITHQFVQAALSTKKYELTAVYSRHLEKAQEFGSHYEGDIEFATDLKTFFNITHMDTIYIASPNSLHFSQAKQAILAGKNVIVEKPAFSTPKEMDEIIHLANEHNVYFFEAARNIHESGFKKIADYLPLKDEIIGANFSYMKYSSRYDQVLDGEEPNIFSTHFSGGALMDLGVYLVYAAVAWFGMPKEVHYFPRKISTGVDGLGWGILRYENFDVSIQPGKIGDSYLPSEIYFDSGTLVMNGVNAIEQAQFHDRAHKEIIDLAVTAAENPMADEAEDFANVMAHPKDPAWGLLYEEWIELARNVNQVIYDLRKNGGIKFDADNEEDF
Consensus
[pKd Mean = 6.10]		-1081
(s=627)		21
(s=1)		MINLGIIGTNWITHQFVQAALSTKKYELTAVYSRHLEKAQEFGSHYEGDIEFATDLKTFFNITHMDTIYIASPNSLHFSQAKQAILAGKNVIVEKPAFSTPKEMDEIIHLANEHNVYFFEAARNIHESGFKKIADYLPLKDEIIGANFSYMKYSSRYDQVLDGEEPNIFSTHFSGGALMDLGVYLVYAAVAWFGMPKEVHYFPRKISTGVDGLGWGILRYENFDVSIQPGKIGDSYLPSEIYFDSGTLVMNGVNAIEQAQFHDRAHKEIIDLAVTAAENPMADEAEDFANVMAHPKDPAWGLLYEEWIELARNVNQVIYDLRKNGGIKFDADNEEDF



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]
ILE7CG21424[O], 1[P], 7[C], 2[N],
THR9OG11829[O], 1[P], 7[C], 1[N],
THR9CG21226[O], 1[P], 5[C],
ASN10ND229212[O], 2[P], 14[C], 1[N],
ASN10OD122211[O], 2[P], 9[C],
ASN10CG27213[C], 2[P], 1[N], 11[O],
TRP11CG121[O],
TRP11CD1222[C],
ILE12CG12422[N], 12[C], 1[P], 9[O],
ILE12CG230214[C], 2[P], 2[N], 12[O],
ILE12CD12227[O], 12[C], 1[P], 2[N],
THR13OG11427[O], 1[P], 6[C],
GLN15NE2521[O], 4[C],
GLN15CG521[O], 4[C],
GLN15CD721[O], 1[N], 5[C],
GLN15OE11123[O], 2[N], 6[C],
PHE16CD1121[N],
VAL31CG1121[O],
TYR32CG322[O], 1[P],
TYR32CD1222[O],
TYR32CD2621[P], 1[C], 1[N], 3[O],
TYR32CZ623[O], 1[N], 1[C], 1[P],
TYR32CE1222[O],
TYR32CE21125[O], 1[P], 4[C], 1[N],
SER33OG1226[O], 1[N], 4[C], 1[P],
ARG34CD2125[N], 9[C], 1[P], 6[O],
ARG34NE2327[O], 5[N], 10[C], 1[P],
ARG34CG2025[O], 5[N], 9[C], 1[P],
ARG34CZ2327[O], 5[N], 10[C], 1[P],
HIS35ND1222[O],
HIS35NE2423[O], 1[P],
HIS35CG423[O], 1[P],
HIS35CD2524[O], 1[P],
HIS35CE1121[O],
LYS38CG721[P], 1[C], 5[O],
LYS38CD1125[O], 1[N], 4[C], 1[P],
LYS38CE1121[N], 4[C], 1[P], 5[O],
LYS38NZ1623[N], 7[C], 1[P], 5[O],
PHE42CD2121[O],
PHE42CE1222[O],
PHE42CD1323[O],
PHE42CG222[O],
TYR69CE2721[O], 4[C], 2[N],
TYR69CD1121[O],
TYR69CD2121[O],
TYR69CE1825[C], 2[N], 1[O],
TYR69CZ1128[C], 2[N], 1[O],
ILE70CG2221[C], 1[O],
SER72OG1925[O], 3[N], 11[C],
PRO73CD35214[O], 3[P], 13[C], 5[N],
PRO73CG3325[N], 3[P], 13[C], 12[O],
ASN74ND21225[O], 1[N], 6[C],
ASN74CG1426[O], 1[N], 6[C], 1[P],
ASN74OD11828[O], 2[P], 7[C], 1[N],
SER75OG723[N], 4[C],
LEU76CD21326[C], 5[N], 2[O],
LEU76CG1221[O], 6[C], 5[N],
LEU76CD11322[O], 5[N], 6[C],
HIS77NE21727[O], 1[N], 1[P], 8[C],
HIS77CE11321[N], 7[C], 5[O],
HIS77ND1823[O], 5[C],
HIS77CD21025[C], 5[O],
HIS77CG825[C], 3[O],
GLN80CG221[N], 1[C],
GLN80CD621[O], 2[N], 3[C],
GLN80NE21025[C], 3[N], 2[O],
GLN80OE1521[N], 3[C], 1[O],
VAL93CG1121[O],
GLU94CD2026[O], 2[N], 12[C],
GLU94OE22127[O], 12[C], 2[N],
GLU94CG2026[O], 1[P], 11[C], 2[N],
GLU94OE12022[N], 12[C], 6[O],
LYS95CD2127[O], 12[C], 2[N],
LYS95CE19211[C], 2[N], 6[O],
LYS95NZ2127[O], 2[N], 12[C],
LYS95CG1926[O], 2[N], 11[C],
PRO96CG622[O], 4[C],
PRO96CD1428[C], 1[N], 5[O],
ARG123CG923[O], 1[N], 5[C],
ARG123NE1222[N], 7[C], 3[O],
ARG123CZ1026[C], 1[N], 3[O],
ARG123CD1123[O], 6[C], 2[N],
TYR150CE2522[C], 3[O],
TYR150CG322[O], 1[C],
TYR150CE1321[C], 2[O],
TYR150CD1221[O], 1[C],
TYR150CD2322[O], 1[C],
TYR150CZ421[C], 3[O],
LYS152CG221[C], 1[O],
LYS152CD221[C], 1[O],
LYS152NZ522[O], 3[C],
LYS152CE422[C], 2[O],
SER155OG121[O],
ARG156NE822[P], 6[O],
ARG156CZ822[P], 6[O],
ARG156CG323[O],
ARG156CD423[O], 1[P],
ASN167ND22825[N], 2[P], 11[C], 10[O],
ASN167CG2326[O], 5[N], 10[C], 2[P],
ASN167OD11524[O], 5[C], 1[P], 5[N],
ILE168CG1522[P], 3[O],
ILE168CG21822[P], 7[C], 9[O],
ILE168CD1222[O],
PHE173CD11322[O], 5[N], 1[P], 5[C],
PHE173CD2923[N], 5[C], 1[O],
PHE173CG1322[O], 5[N], 1[P], 5[C],
PHE173CZ1125[N], 5[C], 1[O],
PHE173CE11326[C], 5[N], 2[O],
PHE173CE21025[C], 4[N], 1[O],
ASP180CG1921[P], 10[C], 1[N], 7[O],
ASP180OD11525[O], 1[N], 9[C],
ASP180OD22429[O], 12[C], 1[P], 2[N],
LEU181CD21127[C], 4[O],
LEU181CG322[O], 1[C],
LEU181CD1322[O], 1[C],
TYR184CE11023[O], 2[N], 5[C],
TYR184CD2925[C], 1[N], 3[O],
TYR184CG622[C], 1[N], 3[O],
TYR184CE21424[O], 8[C], 2[N],
TYR184CD1821[N], 4[C], 3[O],
TYR184CZ1428[C], 2[N], 4[O],
LYS231NZ421[C], 3[O],
LYS231CE221[C], 1[O],
ASN254OD1121[O],
PRO280CD121[O],
PRO280CG523[C], 1[N], 1[O],
MET281CG621[O], 1[N], 4[C],
MET281CE1222[N], 7[C], 3[O],
MET281SD821[O], 5[C], 2[N],
GLU284CD321[O], 1[N], 1[C],
GLU284OE2521[N], 3[C], 1[O],
GLU284CG121[N],
GLU284OE1321[N], 1[C], 1[O],
Total = 133



Download csv file of statistical distribution of contacts