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: NDP_A_3(1Z82) / Model_1(1Z82/A) = [10.8] Download1393.7526.72MEKQTVAVLGPGSWGTALSQVLNDNGHEVRIWGNLPEQINEINTHHTNKHYFKDVVLDENIIAYTDLAETLKNVDAILFVVPTKVTRLVAQQVAQTLDHKVIIMHASKGLEPDSHKRLSTILEEEIPEHLRSDIVVVSGPSHAEETIVRDLTLITAASKDLQTAQYVQELFSNHYFRLYTNTDVIGVETAGALKNIIAVGAGALHGLGFGDNAKAAIIARGLAEITRLGVALGASPLTYSGLSGVGDLIVTGTSIHSRNWRAGDALGRGESLADIEANMGMVIEGISTTRAAYELAQELGVYMPITQAIYQVIYHGTNIKDAIYDIMNNEFKAENEWS
Complex: G3P_B_6(1Z82) / Model_1(1Z82/A) = [4.7] Download365.643.67MEKQTVAVLGPGSWGTALSQVLNDNGHEVRIWGNLPEQINEINTHHTNKHYFKDVVLDENIIAYTDLAETLKNVDAILFVVPTKVTRLVAQQVAQTLDHKVIIMHASKGLEPDSHKRLSTILEEEIPEHLRSDIVVVSGPSHAEETIVRDLTLITAASKDLQTAQYVQELFSNHYFRLYTNTDVIGVETAGALKNIIAVGAGALHGLGFGDNAKAAIIARGLAEITRLGVALGASPLTYSGLSGVGDLIVTGTSIHSRNWRAGDALGRGESLADIEANMGMVIEGISTTRAAYELAQELGVYMPITQAIYQVIYHGTNIKDAIYDIMNNEFKAENEWS
Consensus
[pKd Mean = 7.75]		-879
(s=514)		15
(s=11)		MEKQTVAVLGPGSWGTALSQVLNDNGHEVRIWGNLPEQINEINTHHTNKHYFKDVVLDENIIAYTDLAETLKNVDAILFVVPTKVTRLVAQQVAQTLDHKVIIMHASKGLEPDSHKRLSTILEEEIPEHLRSDIVVVSGPSHAEETIVRDLTLITAASKDLQTAQYVQELFSNHYFRLYTNTDVIGVETAGALKNIIAVGAGALHGLGFGDNAKAAIIARGLAEITRLGVALGASPLTYSGLSGVGDLIVTGTSIHSRNWRAGDALGRGESLADIEANMGMVIEGISTTRAAYELAQELGVYMPITQAIYQVIYHGTNIKDAIYDIMNNEFKAENEWS



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]
PRO11CD1828[O], 1[P], 7[C], 2[N],
PRO11CG1321[N], 5[C], 1[P], 6[O],
SER13OG2129[O], 2[P], 8[C], 2[N],
TRP14CZ21322[N], 8[C], 3[O],
TRP14CE22122[N], 12[C], 1[P], 6[O],
TRP14CD22226[O], 1[P], 13[C], 2[N],
TRP14CE31422[N], 7[C], 4[O], 1[P],
TRP14CZ3921[O], 6[C], 2[N],
TRP14CD12722[N], 14[C], 10[O], 1[P],
TRP14CG2722[N], 14[C], 1[P], 10[O],
TRP14NE12621[P], 9[O], 14[C], 2[N],
THR16OG1423[O], 1[C],
TRP32CE3421[C], 2[N], 1[O],
TRP32CE2121[C],
TRP32CZ2221[N], 1[C],
TRP32CZ31023[O], 5[C], 2[N],
TRP32CD2121[C],
ASN34ND22026[O], 1[P], 8[C], 5[N],
ASN34CG2028[C], 5[N], 1[P], 6[O],
ASN34OD11724[O], 1[P], 5[N], 7[C],
LEU35CG924[O], 1[P], 1[N], 3[C],
LEU35CD2524[O], 1[P],
LEU35CD1724[O], 1[P], 2[C],
PRO36CD121[O],
GLU37OE2121[O],
GLN38OE1725[O], 1[P], 1[C],
GLN38CG822[C], 1[P], 5[O],
GLN38CD822[C], 1[P], 5[O],
GLN38NE2725[O], 1[P], 1[C],
ASN48OD1222[O],
ASN48ND2423[O], 1[C],
ASN48CG222[O],
HIS50CD219211[O], 3[P], 5[C],
HIS50CG1824[C], 3[P], 11[O],
HIS50NE22021[N], 5[C], 3[P], 11[O],
HIS50CE12121[N], 5[C], 12[O], 3[P],
HIS50ND12025[C], 3[P], 12[O],
TYR51CE2523[O], 1[C], 1[N],
TYR51CD1121[O],
TYR51CE1222[O],
TYR51CZ521[P], 4[O],
VAL80CG2822[C], 1[P], 5[O],
VAL80CG11321[N], 7[C], 4[O], 1[P],
VAL81CG21724[O], 10[C], 3[N],
VAL81CG12325[O], 13[C], 5[N],
PRO82CG3522[P], 13[O], 15[C], 5[N],
PRO82CD3623[P], 13[O], 15[C], 5[N],
THR83OG1825[C], 3[O],
THR83CG2121[O],
LYS84CG824[N], 4[C],
LYS84CD724[C], 3[N],
LYS84CE1024[C], 5[N], 1[O],
LYS84NZ723[N], 4[C],
VAL85CG11421[O], 8[C], 5[N],
VAL85CG21925[N], 11[C], 3[O],
THR86OG1221[C], 1[O],
GLN91NE2121[N],
GLN91CG121[N],
GLN91CD221[N], 1[C],
GLN91OE1522[C], 3[N],
GLN92NE21725[N], 8[C], 4[O],
GLN92CG723[N], 4[C],
GLN92CD1021[O], 5[C], 4[N],
GLN92OE1825[C], 3[N],
SER107OG1621[N], 7[C], 7[O], 1[P],
LYS108NZ2322[N], 12[C], 8[O], 1[P],
LYS108CG2121[N], 13[C], 7[O],
LYS108CE2321[P], 7[O], 13[C], 2[N],
LYS108CD2321[P], 8[O], 13[C], 1[N],
LEU118CD2121[O],
LEU118CG121[O],
LEU118CD1523[C], 2[O],
SER138OG721[N], 4[C], 2[O],
PRO140CD221[O], 1[C],
PRO140CG221[C], 1[O],
SER141OG1624[O], 10[C], 2[N],
HIS142CG1721[N], 8[C], 7[O], 1[P],
HIS142CE11721[N], 8[C], 1[P], 7[O],
HIS142ND11921[P], 7[O], 9[C], 2[N],
HIS142CD21426[O], 1[P], 6[C], 1[N],
HIS142NE21421[N], 6[C], 6[O], 1[P],
GLU144CG321[O], 1[C], 1[N],
GLU144OE21121[P], 5[O], 4[C], 1[N],
GLU144OE11421[N], 7[C], 1[P], 5[O],
GLU144CD821[N], 4[C], 3[O],
THR146OG1423[C], 1[N],
THR152CG2121[O],
ILE154CG2221[C], 1[O],
LYS194NZ2127[O], 1[P], 11[C], 2[N],
LYS194CE19210[C], 1[N], 7[O], 1[P],
LYS194CG724[O], 3[C],
LYS194CD1127[O], 1[P], 3[C],
ASN195CG1828[O], 1[P], 8[C], 1[N],
ASN195ND22221[N], 11[C], 9[O], 1[P],
ASN195OD11727[O], 1[P], 8[C], 1[N],
VAL199CG2121[O],
ASP247OD21121[N], 6[C], 4[O],
ASP247OD11425[O], 1[P], 7[C], 1[N],
ASP247CG923[O], 6[C],
VAL250CG2522[O], 3[C],
VAL250CG1925[O], 1[P], 3[C],
THR251OG11225[C], 1[P], 6[O],
THR251CG21023[C], 1[P], 6[O],
SER254OG322[O], 1[C],
HIS256CG221[N], 1[O],
HIS256ND1221[O], 1[N],
SER257OG1026[O], 1[P], 3[C],
ARG258CD2322[N], 7[C], 3[P], 11[O],
ARG258CG1821[N], 4[C], 3[P], 10[O],
ARG258NE33215[O], 3[P], 13[C], 2[N],
ARG258CZ3622[N], 15[C], 3[P], 16[O],
ASN259ND21426[O], 1[P], 6[C], 1[N],
ASN259CG926[O], 1[P], 2[C],
ASN259OD1621[P], 5[O],
TRP260CG121[O],
MET279SD121[O],
MET279CE423[O], 1[P],
MET281CG1624[C], 10[O], 2[P],
MET281CE1022[C], 2[P], 6[O],
MET281SD1222[P], 7[O], 2[C], 1[N],
VAL282CG12222[N], 10[C], 8[O], 2[P],
VAL282CG23122[P], 11[O], 14[C], 4[N],
ILE283CG1524[O], 1[P],
ILE283CG2421[P], 3[O],
GLU284CG2221[N], 7[C], 3[P], 11[O],
GLU284CD1621[P], 8[O], 6[C], 1[N],
GLU284OE22021[P], 10[O], 8[C], 1[N],
GLU284OE1924[O], 5[C],
THR288OG1222[O],
Total = 129



Download csv file of statistical distribution of contacts