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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 3QP_A_15(3QPG) / Model_45(3QPG/A) = [9.8] Download688.1513.29MFQHIPPYAGDPILSLMEQFNADTRSEKVNLSIGLYYNEDSIVPQLETIIEAQKRIEPKNGKTKLYLPMEGFKPYREAIQALLFGANSPAVKAGRAVTIQTLGGSGALKVGADFLKTYFPNSDVWVSQPTWDNHVAIFNGAGIKTHFYPYFDAETRGVDFDGMLSTLKTLPEQSIVLLHPCCHNPTGADLNPAQWDQVIAVLKDRNLIPFLDIAYQGFGDGMEEDAYAIRALDQAGLNFIVSNSFSKIFSLYGERVGGLTFVCDDAEAAQCTFGQLKATVRRIYSSPPTTGAWLVDEVLNDAELNQQWQGEVKEMRERIIKMRSILKDELTKALPDRDFSYLVNQKGMFSYTGLTAEQVDILREEYAIYLVRSGRICVAGLNMNNVYTVAKAMAEVLAKSVEAA
Complex: PGU_C_3(1X28) / Model_53(1X28/A) = [9.8] Download836.5111.19MFQHIPPYAGDPILSLMEQFNADTRSEKVNLSIGLYYNEDSIVPQLETIIEAQKRIEPKNGKTKLYLPMEGFKPYREAIQALLFGANSPAVKAGRAVTIQTLGGSGALKVGADFLKTYFPNSDVWVSQPTWDNHVAIFNGAGIKTHFYPYFDAETRGVDFDGMLSTLKTLPEQSIVLLHPCCHNPTGADLNPAQWDQVIAVLKDRNLIPFLDIAYQGFGDGMEEDAYAIRALDQAGLNFIVSNSFSKIFSLYGERVGGLTFVCDDAEAAQCTFGQLKATVRRIYSSPPTTGAWLVDEVLNDAELNQQWQGEVKEMRERIIKMRSILKDELTKALPDRDFSYLVNQKGMFSYTGLTAEQVDILREEYAIYLVRSGRICVAGLNMNNVYTVAKAMAEVLAKSVEAA
Complex: PMG_D_4(1X29) / Model_50(1X29/B) = [9.8] Download768.778.10MFQHIPPYAGDPILSLMEQFNADTRSEKVNLSIGLYYNEDSIVPQLETIIEAQKRIEPKNGKTKLYLPMEGFKPYREAIQALLFGANSPAVKAGRAVTIQTLGGSGALKVGADFLKTYFPNSDVWVSQPTWDNHVAIFNGAGIKTHFYPYFDAETRGVDFDGMLSTLKTLPEQSIVLLHPCCHNPTGADLNPAQWDQVIAVLKDRNLIPFLDIAYQGFGDGMEEDAYAIRALDQAGLNFIVSNSFSKIFSLYGERVGGLTFVCDDAEAAQCTFGQLKATVRRIYSSPPTTGAWLVDEVLNDAELNQQWQGEVKEMRERIIKMRSILKDELTKALPDRDFSYLVNQKGMFSYTGLTAEQVDILREEYAIYLVRSGRICVAGLNMNNVYTVAKAMAEVLAKSVEAA
Complex: PY5_C_3(1CQ7) / Model_55(1CQ7/A) = [9.5] Download748.9310.78MFQHIPPYAGDPILSLMEQFNADTRSEKVNLSIGLYYNEDSIVPQLETIIEAQKRIEPKNGKTKLYLPMEGFKPYREAIQALLFGANSPAVKAGRAVTIQTLGGSGALKVGADFLKTYFPNSDVWVSQPTWDNHVAIFNGAGIKTHFYPYFDAETRGVDFDGMLSTLKTLPEQSIVLLHPCCHNPTGADLNPAQWDQVIAVLKDRNLIPFLDIAYQGFGDGMEEDAYAIRALDQAGLNFIVSNSFSKIFSLYGERVGGLTFVCDDAEAAQCTFGQLKATVRRIYSSPPTTGAWLVDEVLNDAELNQQWQGEVKEMRERIIKMRSILKDELTKALPDRDFSYLVNQKGMFSYTGLTAEQVDILREEYAIYLVRSGRICVAGLNMNNVYTVAKAMAEVLAKSVEAA
Complex: PY6_C_3(1CQ8) / Model_54(1CQ8/A) = [9.5] Download677.6910.78MFQHIPPYAGDPILSLMEQFNADTRSEKVNLSIGLYYNEDSIVPQLETIIEAQKRIEPKNGKTKLYLPMEGFKPYREAIQALLFGANSPAVKAGRAVTIQTLGGSGALKVGADFLKTYFPNSDVWVSQPTWDNHVAIFNGAGIKTHFYPYFDAETRGVDFDGMLSTLKTLPEQSIVLLHPCCHNPTGADLNPAQWDQVIAVLKDRNLIPFLDIAYQGFGDGMEEDAYAIRALDQAGLNFIVSNSFSKIFSLYGERVGGLTFVCDDAEAAQCTFGQLKATVRRIYSSPPTTGAWLVDEVLNDAELNQQWQGEVKEMRERIIKMRSILKDELTKALPDRDFSYLVNQKGMFSYTGLTAEQVDILREEYAIYLVRSGRICVAGLNMNNVYTVAKAMAEVLAKSVEAA
Consensus
[pKd Mean = 9.68]		-744
(s=57)		10
(s=1)		MFQHIPPYAGDPILSLMEQFNADTRSEKVNLSIGLYYNEDSIVPQLETIIEAQKRIEPKNGKTKLYLPMEGFKPYREAIQALLFGANSPAVKAGRAVTIQTLGGSGALKVGADFLKTYFPNSDVWVSQPTWDNHVAIFNGAGIKTHFYPYFDAETRGVDFDGMLSTLKTLPEQSIVLLHPCCHNPTGADLNPAQWDQVIAVLKDRNLIPFLDIAYQGFGDGMEEDAYAIRALDQAGLNFIVSNSFSKIFSLYGERVGGLTFVCDDAEAAQCTFGQLKATVRRIYSSPPTTGAWLVDEVLNDAELNQQWQGEVKEMRERIIKMRSILKDELTKALPDRDFSYLVNQKGMFSYTGLTAEQVDILREEYAIYLVRSGRICVAGLNMNNVYTVAKAMAEVLAKSVEAA



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]
ASP11OD25142[C], 3[O],
ASP11OD13142[O], 1[C],
ASP11CG1141[O],
ILE13C7141[C], 6[O],
ILE13CG278143[N], 31[O], 44[C],
ILE13CD1741431[O], 37[C], 6[N],
ILE13CB541428[O], 26[C],
ILE13CG1481422[C], 26[O],
ILE13N2142[O],
ILE13CA10141[C], 9[O],
LEU14CG261417[C], 9[O],
LEU14CA2141[O], 1[C],
LEU14N10145[C], 5[O],
LEU14CD2331423[C], 10[O],
LEU14CB7144[C], 3[O],
LEU14CD1261416[C], 10[O],
SER32O19147[C], 12[O],
SER32C9149[O],
ILE33CG1321412[O], 20[C],
ILE33C481417[O], 31[C],
ILE33CG2491432[C], 16[O], 1[N],
ILE33O171410[O], 7[C],
ILE33CA471416[O], 31[C],
ILE33CD1251410[O], 15[C],
ILE33N13149[O], 4[C],
ILE33CB401431[C], 9[O],
GLY34N69146[N], 41[C], 22[O],
GLY34CA67147[N], 20[O], 40[C],
GLY34C561414[O], 39[C], 3[N],
GLY34O71149[N], 15[O], 47[C],
LEU35CG5145[C],
LEU35CA1141[C],
LEU35CD2101410[C],
LEU35CD11141[C],
LEU35N191410[C], 9[O],
LEU102C171417[O],
LEU102O231421[O], 2[P],
GLY103CA641413[P], 51[O],
GLY103O391413[P], 26[O],
GLY103N35149[P], 26[O],
GLY103C751452[O], 10[C], 13[P],
GLY104N1021452[O], 37[C], 13[P],
GLY104CA107141[N], 13[P], 52[O], 41[C],
GLY104O881437[C], 37[O], 13[P], 1[N],
GLY104C981413[P], 40[O], 41[C], 4[N],
SER105N1071413[P], 41[C], 52[O], 1[N],
SER105CB1031452[O], 38[C], 13[P],
SER105C17141[P], 13[O], 3[C],
SER105CA921439[C], 40[O], 13[P],
SER105O5145[O],
SER105OG135143[N], 62[C], 57[O], 13[P],
GLY106N141414[O],
LEU108CD139148[N], 31[C],
LEU108CG191414[C], 5[N],
LEU108CD2181414[C], 4[N],
THR130OG12142[C],
TRP131CZ31601431[O], 108[C], 21[N],
TRP131CZ224114152[C], 61[O], 5[P], 23[N],
TRP131CD119914132[C], 45[O], 22[N],
TRP131NE12201422[N], 46[O], 152[C],
TRP131CA311411[O], 20[C],
TRP131CE31451419[O], 105[C], 21[N],
TRP131CB1051422[O], 64[C], 19[N],
TRP131CG1711423[N], 117[C], 31[O],
TRP131CD21881435[O], 130[C], 23[N],
TRP131CE22341451[O], 160[C], 23[N],
TRP131N131413[C],
ASN133OD13143[C],
ASN133CG3143[C],
ASN133CB7145[O], 2[C],
ASN133ND23142[C], 1[O],
HIS134CD2431411[N], 32[C],
HIS134ND127147[N], 20[C],
HIS134CG9146[C], 3[N],
HIS134CE1521440[C], 12[N],
HIS134NE2541442[C], 12[N],
LEU178CD23141[N], 2[C],
LEU178CG1141[C],
LEU178CD11141[C],
HIS179ND1201420[C],
HIS179CB7147[C],
HIS179NE2141414[C],
HIS179CD2131413[C],
HIS179CE1211421[C],
HIS179CG121412[C],
CYS182O9149[C],
ASN184OD1521428[C], 24[O],
ASN184CB64142[N], 39[C], 23[O],
ASN184ND21541422[N], 36[O], 96[C],
ASN184N15142[O], 13[C],
ASN184C111411[C],
ASN184CA251413[C], 12[O],
ASN184O131413[C],
ASN184CG901424[O], 57[C], 9[N],
ASP212CG811469[C], 12[N],
ASP212C15146[C], 9[N],
ASP212OD1971484[C], 1[O], 12[N],
ASP212CB501411[N], 39[C],
ASP212OD21031412[N], 86[C], 5[O],
ASP212CA121410[N], 2[C],
ASP212O141410[C], 4[N],
ILE213C1141[N],
ILE213N4144[N],
ALA214CA931412[N], 74[C], 7[O],
ALA214N501438[C], 12[N],
ALA214O4141[O], 3[C],
ALA214C5141[O], 4[C],
ALA214CB152141[P], 106[C], 33[O], 12[N],
TYR215CE21261487[C], 18[O], 21[N],
TYR215CG10142[C], 8[O],
TYR215CE169147[N], 16[O], 46[C],
TYR215CD2611413[O], 43[C], 5[N],
TYR215CD1101410[O],
TYR215CZ1371416[N], 24[O], 97[C],
ASN243C2142[O],
ASN243O101410[O],
SER244CA341412[P], 1[C], 21[O],
SER244C131413[O],
SER244N131413[O],
SER244CB1071452[O], 42[C], 13[P],
SER244OG1021413[P], 37[C], 52[O],
PHE245C6146[O],
PHE245N131413[O],
SER246CB69144[C], 52[O], 13[P],
SER246CA381426[O], 12[P],
SER246C6146[O],
SER246OG751410[C], 52[O], 13[P],
SER246N291420[O], 9[P],
LYS247CB1141[C],
LYS247CD111149[N], 54[C], 39[O], 9[P],
LYS247CG171413[C], 4[O],
LYS247CE1741412[N], 99[C], 52[O], 11[P],
LYS247NZ2021412[P], 111[C], 64[O], 15[N],
LYS247N1141[O],
TYR252CB3143[O],
TYR252CD1111410[O], 1[C],
TYR252C9149[O],
TYR252CA111411[O],
TYR252O23145[P], 18[O],
ARG255CZ671413[P], 2[C], 52[O],
ARG255CA2142[O],
ARG255CD101410[O],
ARG255NE491436[O], 13[P],
VAL256C111411[O],
VAL256N8148[O],
VAL256O131413[O],
GLY257N3143[O],
GLY257CA5145[O],
MET348SD1141[C],
MET348CE3143[C],
PHE349CG5145[O],
PHE349CE2681433[O], 26[C], 9[N],
PHE349CD2181415[O], 3[C],
PHE349CE1391419[C], 20[O],
PHE349CZ71149[N], 33[O], 29[C],
PHE349CD115143[C], 12[O],
VAL371CG21141[O],
ARG375CD121412[O],
ARG375NE281419[O], 9[C],
ARG375CZ421421[C], 21[O],
Total = 160



Download csv file of statistical distribution of contacts