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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: NAP_B_2(1A80) / Model_17(1A80/A) = [8.3] Download1601.2127.46MLIHLFFRNNKKSKMHLKLNNYLISGEYMNIPRFGLGTFRLKEQAVIDSVKNALDVGYRAIDTAQIYENEAAIGQAIAESGVSRQDLFLTTKIWVDNFAQDKFIPSLKESLQKLRTDHVDLTLIHWPAPDLGVSIPEIMQLLLEAKQQGLTKQIGISNFNIALTQQAIDTIGVEHIATNQIELSPYLQNHKLVNFLQEKNIDVTSYMTLAYGKVLQDPVLAEIAAANKATTAQIALAWALQRGFAVIPSSTKRENLISNLKAQDIELTAAEMQMIAELDRNSREVSPEPWAPVWD
Consensus
[pKd Mean = 8.30]		-1601
(s=0)		27
(s=0)		MLIHLFFRNNKKSKMHLKLNNYLISGEYMNIPRFGLGTFRLKEQAVIDSVKNALDVGYRAIDTAQIYENEAAIGQAIAESGVSRQDLFLTTKIWVDNFAQDKFIPSLKESLQKLRTDHVDLTLIHWPAPDLGVSIPEIMQLLLEAKQQGLTKQIGISNFNIALTQQAIDTIGVEHIATNQIELSPYLQNHKLVNFLQEKNIDVTSYMTLAYGKVLQDPVLAEIAAANKATTAQIALAWALQRGFAVIPSSTKRENLISNLKAQDIELTAAEMQMIAELDRNSREVSPEPWAPVWD



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]
PHE34CZ111[N],
GLY35O212[C],
LEU36CB212[O],
LEU36CD1111[O],
LEU36O815[C], 3[O],
LEU36C915[C], 4[O],
LEU36CG212[O],
LEU36N211[O], 1[C],
LEU36CA612[O], 4[C],
GLY37N1311[N], 6[O], 1[P], 5[C],
GLY37O1616[C], 8[O], 1[N], 1[P],
GLY37C1511[N], 1[P], 7[O], 6[C],
GLY37CA1617[C], 1[N], 1[P], 7[O],
THR38CB513[C], 2[O],
THR38N1417[C], 1[N], 5[O], 1[P],
THR38CA1114[O], 1[N], 1[P], 5[C],
THR38OG1614[C], 2[O],
THR38CG2412[C], 2[O],
THR38C1416[C], 6[O], 1[N], 1[P],
THR38O714[C], 3[O],
PHE39CG2111[N], 8[O], 1[P], 11[C],
PHE39O2512[P], 1[N], 11[O], 11[C],
PHE39N19110[C], 1[N], 1[P], 7[O],
PHE39CE22212[P], 1[N], 8[O], 11[C],
PHE39C1711[N], 1[P], 7[O], 8[C],
PHE39CD22511[N], 2[P], 10[O], 12[C],
PHE39CB24112[C], 8[O], 2[N], 2[P],
PHE39CD119111[C], 1[N], 1[P], 6[O],
PHE39CZ1619[C], 1[N], 1[P], 5[O],
PHE39CA19110[C], 7[O], 1[N], 1[P],
PHE39CE11511[P], 1[N], 4[O], 9[C],
ARG40NE1314[C], 8[O], 1[P],
ARG40O111[O],
ARG40CZ1615[C], 9[O], 2[P],
ARG40CD2018[C], 2[P], 10[O],
ARG40CB1417[O], 1[P], 6[C],
ARG40C313[O],
ARG40CA612[C], 3[O], 1[P],
ARG40CG1719[C], 7[O], 1[P],
ARG40N1014[O], 1[P], 5[C],
LEU41CB111[O],
LEU41CD2911[P], 6[O], 2[C],
LEU41CA111[O],
LEU41N212[O],
LEU41CD1212[O],
LEU41CG313[O],
ILE61C111[O],
ILE61CG2111[O],
ILE61CA111[O],
ILE61O111[O],
ASP62N713[O], 4[C],
ASP62OD21313[O], 2[N], 8[C],
ASP62CB1318[C], 3[O], 2[N],
ASP62OD118111[C], 5[O], 2[N],
ASP62CA915[C], 3[O], 1[N],
ASP62CG1613[O], 2[N], 11[C],
ASP62C913[O], 1[N], 5[C],
ASP62O1117[C], 1[N], 3[O],
THR63CB211[O], 1[C],
THR63CA512[O], 3[C],
THR63CG2111[O],
THR63OG1111[O],
THR63N714[C], 2[O], 1[N],
THR63C611[O], 2[N], 3[C],
THR63O811[O], 2[N], 5[C],
ALA64CB1012[N], 2[O], 6[C],
ALA64CA311[N], 1[O], 1[C],
ALA64N211[O], 1[C],
ILE66CG2211[O], 1[C],
TYR67CE21812[N], 5[O], 11[C],
TYR67CZ1916[O], 2[N], 11[C],
TYR67CD11312[O], 2[N], 9[C],
TYR67CB211[C], 1[O],
TYR67CE116110[C], 2[N], 4[O],
TYR67CD21319[C], 3[O], 1[N],
TYR67CG1112[O], 1[N], 8[C],
THR90CG2211[N], 1[O],
THR90O111[O],
LYS92CD1218[C], 2[O], 2[N],
LYS92NZ16110[C], 4[O], 2[N],
LYS92CB411[O], 1[N], 2[C],
LYS92CG812[N], 2[O], 4[C],
LYS92CE15110[C], 2[N], 3[O],
LYS92CA111[N],
TRP94CZ3311[N], 1[O], 1[C],
TRP94CE3111[O],
LEU123CB111[N],
LEU123CD1511[N], 1[O], 3[C],
LEU123CG111[N],
ILE124C311[N], 1[O], 1[C],
ILE124O311[C], 1[O], 1[N],
HIS125CG715[C], 1[O], 1[N],
HIS125C412[C], 1[N], 1[O],
HIS125CA412[C], 1[O], 1[N],
HIS125CB412[C], 1[O], 1[N],
HIS125O614[C], 1[O], 1[N],
HIS125ND1815[C], 2[N], 1[O],
HIS125N311[N], 1[O], 1[C],
HIS125NE21112[N], 1[O], 8[C],
HIS125CE11118[C], 1[O], 2[N],
HIS125CD2916[C], 2[N], 1[O],
TRP126N311[N], 1[O], 1[C],
TRP126CB211[O], 1[C],
TRP126CZ3511[O], 1[N], 3[C],
TRP126CE3311[C], 1[N], 1[O],
TRP126NE1715[C], 1[N], 1[O],
TRP126CZ2711[N], 1[O], 5[C],
TRP126CD2513[C], 1[N], 1[O],
TRP126CA311[C], 1[N], 1[O],
TRP126CE2715[C], 1[O], 1[N],
TRP126CD1511[O], 1[N], 3[C],
TRP126CG311[C], 1[N], 1[O],
ILE156C111[N],
ILE156O111[N],
SER157CB614[C], 1[N], 1[O],
SER157OG1011[O], 2[N], 7[C],
SER157N311[C], 1[N], 1[O],
SER157O311[C], 1[O], 1[N],
SER157C412[C], 1[N], 1[O],
SER157CA412[C], 1[O], 1[N],
ASN158CB513[C], 1[N], 1[O],
ASN158C111[O],
ASN158ND2912[N], 1[O], 6[C],
ASN158CG711[N], 1[O], 5[C],
ASN158N411[N], 1[O], 2[C],
ASN158OD1815[C], 1[O], 2[N],
ASN158CA311[C], 1[N], 1[O],
ASN179C111[N],
GLN180N311[C], 1[N], 1[O],
GLN180OE118111[C], 2[N], 5[O],
GLN180NE215110[C], 3[O], 2[N],
GLN180CD1612[N], 3[O], 11[C],
GLN180O711[O], 2[N], 4[C],
GLN180CA613[C], 2[N], 1[O],
GLN180C714[C], 1[O], 2[N],
GLN180CB915[C], 2[O], 2[N],
GLN180CG1412[N], 3[O], 9[C],
ILE181O1117[C], 2[N], 2[O],
ILE181N711[O], 2[N], 4[C],
ILE181CB311[O], 1[N], 1[C],
ILE181C1016[C], 2[O], 2[N],
ILE181CA714[C], 1[O], 2[N],
ILE181CG2211[O], 1[N],
GLU182OE1212[C],
GLU182CB511[O], 4[C],
GLU182CA911[O], 2[N], 6[C],
GLU182CG212[C],
GLU182N916[C], 1[O], 2[N],
LEU183C111[O],
LEU183O111[O],
SER184OG111[O],
SER184CB111[O],
THR204C311[N], 1[O], 1[C],
THR204O714[C], 1[O], 2[N],
THR204CB311[C], 1[N], 1[O],
THR204CG2814[C], 2[O], 2[N],
SER205O21111[C], 2[N], 2[P], 6[O],
SER205CB111[O],
SER205C1811[P], 2[N], 4[O], 11[C],
SER205CA711[N], 2[O], 4[C],
SER205N111[O],
TYR206CA25110[O], 2[N], 2[P], 11[C],
TYR206CZ1012[O], 2[N], 6[C],
TYR206CD21412[N], 3[O], 9[C],
TYR206CB25110[O], 2[N], 2[P], 11[C],
TYR206CE11417[C], 1[P], 2[N], 4[O],
TYR206O23111[C], 9[O], 1[N], 2[P],
TYR206C26111[C], 11[O], 2[N], 2[P],
TYR206N2212[N], 7[O], 2[P], 11[C],
TYR206CE21112[O], 2[N], 7[C],
TYR206CD12011[P], 2[N], 6[O], 11[C],
TYR206CG2011[P], 2[N], 6[O], 11[C],
MET207C1911[N], 2[P], 8[O], 8[C],
MET207CG25112[C], 2[P], 1[N], 10[O],
MET207SD21110[C], 2[P], 1[N], 8[O],
MET207CB2218[O], 1[N], 2[P], 11[C],
MET207CA2419[O], 1[N], 2[P], 12[C],
MET207CE22111[C], 2[N], 2[P], 7[O],
MET207N2712[N], 11[O], 2[P], 12[C],
MET207O1418[O], 2[P], 4[C],
THR208N1817[C], 1[N], 2[P], 8[O],
THR208OG11113[C], 6[O], 2[P],
THR208CA1318[O], 2[P], 3[C],
THR208CG2715[O], 1[P], 1[C],
THR208CB1012[C], 6[O], 2[P],
THR208O611[P], 5[O],
THR208C912[C], 2[P], 5[O],
LEU209C1913[N], 7[O], 2[P], 7[C],
LEU209O24110[C], 4[N], 8[O], 2[P],
LEU209N1917[C], 8[O], 2[N], 2[P],
LEU209CD21918[C], 5[N], 1[P], 5[O],
LEU209CB26111[C], 5[N], 2[P], 8[O],
LEU209CD128111[C], 5[N], 10[O], 2[P],
LEU209CA2019[C], 2[P], 3[N], 6[O],
LEU209CG24111[C], 6[O], 5[N], 2[P],
ALA210N1213[C], 7[O], 2[P],
ALA210CB511[P], 4[O],
ALA210CA1112[C], 2[P], 7[O],
ALA210C1313[C], 2[P], 8[O],
ALA210O1112[P], 7[O], 2[C],
TYR211O1815[C], 2[P], 1[N], 10[O],
TYR211CD227113[C], 1[N], 2[P], 11[O],
TYR211CZ2612[N], 10[O], 2[P], 12[C],
TYR211CB1716[C], 9[O], 2[P],
TYR211CE227113[C], 1[N], 11[O], 2[P],
TYR211CE123111[C], 1[N], 9[O], 2[P],
TYR211CG2112[P], 1[N], 9[O], 9[C],
TYR211CD11911[N], 8[O], 2[P], 8[C],
TYR211N1812[P], 1[N], 9[O], 6[C],
TYR211C2016[C], 2[N], 10[O], 2[P],
TYR211CA1819[O], 1[N], 2[P], 6[C],
GLY212N2218[C], 2[N], 10[O], 2[P],
GLY212CA1717[C], 2[N], 7[O], 1[P],
GLY212C1011[P], 5[O], 4[C],
GLY212O613[C], 3[O],
LYS213CE212[O],
LYS213CG212[O],
LYS213NZ111[O],
LYS213CD212[O],
LYS213N812[C], 1[P], 5[O],
VAL214CB312[N], 1[C],
VAL214CG1714[C], 3[N],
VAL214CG2211[N], 1[C],
THR230CG2312[N], 1[C],
THR230O111[N],
THR230CA111[N],
THR230OG1513[C], 2[N],
THR230C111[N],
THR230CB312[N], 1[C],
THR231C412[N], 2[C],
THR231OG1412[C], 2[N],
THR231N312[N], 1[C],
THR231CB111[N],
THR231O312[N], 1[C],
THR231CA212[N],
ALA232CB1215[N], 1[O], 6[C],
ALA232CA1015[N], 5[C],
ALA232O714[C], 3[N],
ALA232N814[N], 4[C],
ALA232C713[N], 4[C],
GLN233C111[N],
GLN233NE2111[N],
GLN233CA211[C], 1[N],
GLN233CB111[N],
GLN233CD111[N],
GLN233OE1111[N],
GLN233N512[C], 3[N],
GLN233CG211[C], 1[N],
LEU236CD1612[N], 2[O], 1[P], 1[C],
LEU236CG312[N], 1[O],
LEU236CD2613[C], 2[N], 1[O],
VAL246CB211[C], 1[O],
VAL246CA311[O], 2[C],
VAL246O111[C],
VAL246C412[C], 2[O],
VAL246CG1312[O], 1[C],
ILE247O2118[C], 1[N], 2[P], 10[O],
ILE247C1916[C], 1[N], 10[O], 2[P],
ILE247CA1312[P], 6[O], 5[C],
ILE247CG21211[N], 6[O], 5[C],
ILE247CG1815[C], 3[O],
ILE247CB1216[O], 1[N], 5[C],
ILE247N1115[C], 5[O], 1[P],
ILE247CD1715[C], 2[O],
PRO248C29113[C], 2[N], 12[O], 2[P],
PRO248CA28113[C], 2[N], 2[P], 11[O],
PRO248N1911[N], 9[O], 2[P], 7[C],
PRO248O2512[N], 2[P], 11[O], 10[C],
PRO248CB27112[C], 9[O], 4[N], 2[P],
PRO248CD1217[O], 1[N], 1[P], 3[C],
PRO248CG1717[C], 3[N], 6[O], 1[P],
SER249C34113[C], 3[P], 4[N], 14[O],
SER249OG32111[C], 16[O], 2[N], 3[P],
SER249O35113[C], 5[N], 14[O], 3[P],
SER249N33115[O], 2[N], 3[P], 13[C],
SER249CB3613[N], 3[P], 16[O], 14[C],
SER249CA34113[C], 2[N], 16[O], 3[P],
SER250CA2615[N], 2[P], 9[O], 10[C],
SER250CB25110[C], 5[N], 2[P], 8[O],
SER250OG22110[C], 5[N], 1[P], 6[O],
SER250C1818[C], 1[P], 6[O], 3[N],
SER250O1411[P], 4[O], 2[N], 7[C],
SER250N3013[N], 12[O], 3[P], 12[C],
THR251C611[C], 1[P], 4[O],
THR251OG11013[C], 1[P], 1[N], 5[O],
THR251CA1114[C], 5[O], 1[P], 1[N],
THR251N1818[C], 1[P], 6[O], 3[N],
THR251CB812[C], 1[P], 5[O],
THR251CG2812[C], 1[P], 5[O],
THR251O514[O], 1[P],
LYS252CB1517[C], 1[P], 3[N], 4[O],
LYS252CG1316[C], 4[O], 1[P], 2[N],
LYS252CD1611[P], 4[N], 4[O], 7[C],
LYS252CE1214[C], 4[O], 1[P], 3[N],
LYS252N1215[C], 2[N], 1[P], 4[O],
LYS252O1214[C], 4[O], 1[P], 3[N],
LYS252CA714[O], 1[P], 2[C],
LYS252NZ1214[C], 4[O], 1[P], 3[N],
LYS252C411[P], 3[O],
ARG253N111[O],
GLU254OE1111[O],
GLU254O312[N], 1[C],
GLU254C511[O], 2[N], 2[C],
GLU254N111[O],
ASN255CB1817[C], 5[N], 1[P], 5[O],
ASN255C1115[N], 1[O], 5[C],
ASN255OD11817[C], 1[P], 5[O], 5[N],
ASN255CA1412[O], 5[N], 1[P], 6[C],
ASN255CG1911[P], 5[N], 5[O], 8[C],
ASN255ND22111[P], 6[O], 5[N], 9[C],
ASN255N1111[O], 1[P], 4[N], 5[C],
ASN255O1015[C], 4[N], 1[O],
LEU256CA412[N], 2[C],
LEU256O212[N],
LEU256CG312[O], 1[N],
LEU256N811[O], 3[N], 4[C],
LEU256CD2512[O], 1[N], 1[P], 1[C],
LEU256C212[N],
ILE257C111[N],
SER258CA312[N], 1[C],
SER258C412[C], 2[N],
SER258CB513[N], 2[C],
SER258O211[N], 1[C],
SER258N211[C], 1[N],
SER258OG512[C], 3[N],
ASN259N613[C], 3[N],
ASN259CB814[N], 4[C],
ASN259ND22315[N], 6[O], 2[P], 10[C],
ASN259CA613[C], 3[N],
ASN259OD11211[O], 5[N], 6[C],
ASN259C212[N],
ASN259O111[N],
ASN259CG1416[C], 5[N], 3[O],
LEU260N111[N],
VAL285CG1313[O],
SER286OG712[O], 5[C],
SER286CB614[C], 2[O],
PRO287CG413[C], 1[O],
PRO287O111[O],
PRO287CD312[C], 1[O],
Total = 340



Download csv file of statistical distribution of contacts