Binding Site Information :
Doc...
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 :C5_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 C5_S1
Complex: A4P_A_4(1EX8) / Model_17(1EX8/A) = [10.8] Download1774.5330.05MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA
Complex: J1D_A_2(4F7V) / Model_26(4F7V/A) = [9.7] Download1349.5331.53MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA
Complex: J1B_A_2(3UDE) / Model_28(3UDE/A) = [8.8] Download1471.3227.10MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA
Complex: J1C_A_2(3UDV) / Model_27(3UDV/A) = [8.0] Download1472.6725.90MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA
Complex: J1A_A_2(3UD5) / Model_29(3UD5/A) = [7.4] Download1580.0830.89MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA
Consensus
[pKd Mean = 8.94]
-1529
(s=142)
29
(s=2)
MTVTTYIGLGSNLGDSRQILSEAITKLKSLGEVKVSKLYQSPPMGPQDQPNYLNAVAQLKTELLPLELLDQLQRFEQEAGRVRLRHWGERTLDLDLLIYGNEKIQNERLTVPHVGILQRDFVVIPLLDLDADLHINDQPLKNLELIQQPTLTVLADESWA



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]
LEU9C161716[O],
LEU9O161716[O],
GLY10O12171[C], 11[O],
GLY10C241716[O], 8[C],
GLY10CA511715[N], 16[O], 20[C],
GLY10N181716[O], 2[C],
SER11N231716[O], 1[N], 6[C],
SER11CA1171[O],
ASN12CB6172[C], 1[O], 1[N], 1[F],
ASN12ND217171[F], 1[N], 1[O], 14[C],
ASN12CG14171[F], 1[N], 1[O], 11[C],
ASN12OD112179[C], 1[O], 1[N], 1[F],
ASN12N1171[C],
SER41OG581719[C], 37[N], 2[O],
SER41CB601716[C], 44[N],
SER41N161716[N],
SER41O621716[C], 46[N],
SER41C471731[N], 16[C],
SER41CA341718[N], 16[C],
PRO42N321716[N], 16[C],
PRO42CG9179[N],
PRO42CB141714[N],
PRO42O831732[C], 51[N],
PRO42C671721[C], 46[N],
PRO42CA311717[N], 14[C],
PRO42CD161716[N],
PRO43CG31171[F], 17[N], 13[C],
PRO43N651728[C], 37[N],
PRO43O641741[N], 23[C],
PRO43CA1121749[C], 63[N],
PRO43CD30174[C], 26[N],
PRO43CB911741[C], 1[F], 48[N],
PRO43C1031744[C], 59[N],
MET44CG1091763[C], 1[O], 45[N],
MET44CE39172[P], 20[C], 14[N], 3[O],
MET44CA140171[O], 50[N], 89[C],
MET44SD571730[N], 1[O], 26[C],
MET44N17217101[C], 70[N], 1[O],
MET44C1351736[N], 7[S], 2[O], 90[C],
MET44O1571747[N], 7[S], 3[O], 100[C],
MET44CB172172[O], 70[N], 100[C],
GLY45C301726[C], 1[S], 1[O], 2[N],
GLY45CA601715[N], 2[O], 6[S], 37[C],
GLY45O19172[S], 1[O], 16[C],
GLY45N94172[O], 1[S], 30[N], 61[C],
PRO46N241722[C], 1[N], 1[O],
PRO46CG481732[C], 6[N], 2[F], 7[S],
PRO46CB251722[C], 2[F],
PRO46C5175[C],
PRO46O2172[N],
PRO46CD651747[C], 1[O], 7[S], 10[N],
PRO46CA141714[C],
GLN47O6176[C],
GLN47N3173[C],
GLN49NE247174[S], 16[N], 1[F], 26[C],
GLN49CG181716[C], 1[F], 1[N],
GLN49C4171[C], 1[N], 1[F],
GLN49CD281718[C], 7[N], 1[F], 2[S],
GLN49CB16171[N], 1[F], 14[C],
GLN49OE1311719[C], 3[S], 1[F], 8[N],
GLN49CA8176[C], 1[N], 1[F],
PRO50CG3171[F], 1[N],
PRO50CD4171[C], 1[N], 1[F],
PRO50N4171[F], 1[N], 1[C],
PRO50O5172[C], 1[N], 1[F],
ASN51C2172[N],
TYR52CE2233171[F], 83[N], 23[O], 4[S], 121[C],
TYR52C291725[N], 4[C],
TYR52CD11911794[C], 16[O], 80[N], 1[F],
TYR52CG1691776[C], 16[O], 77[N],
TYR52CE1221171[F], 81[N], 4[S], 18[O], 116[C],
TYR52O171716[N], 1[C],
TYR52CZ239171[F], 82[N], 6[S], 21[O], 128[C],
TYR52CB1321716[O], 52[N], 64[C],
TYR52CA651734[N], 5[O], 26[C],
TYR52N501734[N], 16[C],
TYR52CD21931796[C], 18[O], 78[N], 1[F],
LEU53N1171[N],
LEU53O24176[N], 16[O], 2[C],
LEU53C6175[O], 1[N],
ASN54OD11291764[C], 16[O], 49[N],
ASN54CG1011716[O], 37[N], 48[C],
ASN54CB541721[N], 16[O], 17[C],
ASN54N1171[N],
ASN54CA17173[N], 14[O],
ASN54ND21181753[C], 16[O], 49[N],
LEU69CG341710[N], 5[O], 19[C],
LEU69CB3172[N], 1[C],
LEU69CD164177[O], 20[N], 37[C],
LEU69CD2501712[N], 5[O], 33[C],
LEU72C1171[O],
LEU72CD18174[N], 4[C],
LEU72O1171[O],
LEU72CB1171[C],
GLN73CA2171[C], 1[O],
GLN73NE2521727[C], 14[O], 1[S], 10[N],
GLN73N2171[O], 1[C],
GLN73CD211710[C], 10[O], 1[N],
GLN73CG21179[O], 1[N], 11[C],
GLN73OE115177[C], 8[O],
GLN73CB2171[C], 1[O],
GLU76CB2172[O],
GLU76CD12172[O], 10[C],
GLU76OE2231713[C], 3[N], 3[S], 4[O],
GLU76CG5173[C], 2[O],
GLU76OE118171[N], 3[S], 3[O], 11[C],
ARG81CD1171[O],
ARG81NE4171[P], 3[O],
ARG81CZ6175[O], 1[P],
ARG83CG1171[O],
ARG83CZ12172[P], 3[C], 7[O],
ARG83NE5171[P], 1[C], 3[O],
ARG83CD2172[O],
ARG85O8173[O], 5[C],
ARG85C4171[C], 3[O],
HIS86C26172[P], 16[C], 2[S], 6[O],
HIS86O40175[N], 2[S], 8[O], 1[P], 24[C],
HIS86CB10171[C], 3[P], 6[O],
HIS86CE111171[S], 6[O], 2[P], 2[C],
HIS86CD217175[C], 3[P], 8[O], 1[S],
HIS86NE215175[C], 3[P], 1[S], 6[O],
HIS86CG13173[P], 1[C], 1[S], 8[O],
HIS86ND112171[C], 3[P], 1[S], 7[O],
HIS86CA13172[P], 3[C], 8[O],
HIS86N3171[P], 2[O],
TRP87CD131171[F], 6[N], 9[O], 13[C], 2[P],
TRP87CE3461734[C], 6[N], 1[F], 2[O], 3[S],
TRP87CG441730[C], 2[P], 6[O], 5[N], 1[F],
TRP87CD237171[P], 30[C], 2[O], 3[N], 1[F],
TRP87NE126179[C], 2[P], 1[F], 5[N], 9[O],
TRP87N331718[C], 3[P], 8[O], 2[S], 1[F], 1[N],
TRP87CA67171[F], 10[N], 2[S], 13[O], 38[C], 3[P],
TRP87CZ29172[O], 1[F], 1[P], 5[C],
TRP87O60171[P], 41[C], 11[N], 2[F], 2[S], 3[O],
TRP87CE224174[O], 3[N], 1[F], 1[P], 15[C],
TRP87C61172[F], 9[N], 2[S], 7[O], 40[C], 1[P],
TRP87CZ3331725[C], 3[S], 1[F], 4[N],
TRP87CB53171[S], 4[O], 4[N], 1[F], 40[C], 2[P],
GLY88N531735[C], 1[P], 6[N], 2[F], 2[S], 7[O],
GLY88C30173[O], 1[S], 1[N], 2[F], 1[P], 22[C],
GLY88O461730[C], 1[P], 5[N], 2[F], 2[S], 6[O],
GLY88CA381725[C], 1[P], 4[N], 2[F], 1[S], 5[O],
GLU89CB7172[C], 2[O], 1[N], 1[F],
GLU89OE14171[N], 1[F], 1[C],
GLU89OE23171[O], 1[N], 1[C],
GLU89CG7171[P], 1[C], 1[F], 1[N], 2[O],
GLU89N16173[O], 1[N], 1[F], 1[P], 10[C],
GLU89CA13179[C], 2[O], 1[N], 1[F],
GLU89CD4171[N], 1[O], 1[C],
GLU89O4171[N], 1[F], 1[C],
GLU89C9171[O], 1[N], 1[F], 6[C],
ARG90CD77172[F], 16[N], 1[S], 11[O], 46[C],
ARG90CB241714[C], 4[O], 6[N],
ARG90NE961711[O], 2[S], 17[N], 2[F], 1[P], 62[C],
ARG90N8171[F], 1[N], 2[O], 3[C],
ARG90CG451727[C], 7[O], 11[N],
ARG90CZ1231774[C], 2[P], 2[F], 21[N], 16[O], 7[S],
ARG90C3172[C], 1[O],
ARG90CA2171[C], 1[O],
ARG90O4172[C], 2[O],
THR91CB2172[C],
THR91CG22172[C],
THR91CA4172[C], 2[O],
THR91N3172[C], 1[O],
THR91C4172[O], 2[C],
THR91O4172[C], 2[O],
LEU92CA3171[O], 2[C],
LEU92N4172[C], 2[O],
LEU92C4172[O], 2[C],
LEU92O4172[O], 2[C],
ASP93CA19174[O], 2[N], 13[C],
ASP93O2172[C],
ASP93C7176[C], 1[O],
ASP93N7174[C], 3[O],
ASP93OD164173[P], 32[C], 2[S], 17[O], 10[N],
ASP93OD21431778[C], 3[P], 35[O], 2[S], 25[N],
ASP93CB711728[C], 24[O], 19[N],
ASP93CG92171[P], 40[C], 27[O], 1[S], 23[N],
LEU94C281714[C], 12[N], 2[O],
LEU94CA8177[C], 1[O],
LEU94O371722[C], 3[O], 12[N],
LEU94N9176[C], 2[N], 1[O],
LEU94CB1171[O],
ASP95O15178[C], 7[N],
ASP95OD2911718[O], 2[S], 24[N], 45[C], 2[P],
ASP95OD192173[S], 17[O], 22[N], 48[C], 2[P],
ASP95C261711[C], 15[N],
ASP95CA441726[C], 17[N], 1[O],
ASP95CB471729[C], 17[N], 1[O],
ASP95CG78171[P], 45[C], 1[S], 12[O], 19[N],
ASP95N221711[C], 10[N], 1[O],
LEU96CD212174[C], 8[N],
LEU96CB301716[C], 14[N],
LEU96O311716[C], 15[N],
LEU96CG201711[N], 9[C],
LEU96N351720[C], 15[N],
LEU96CA251715[C], 10[N],
LEU96CD19174[N], 5[C],
LEU96C251710[N], 15[C],
LEU97N14174[C], 10[N],
LEU97CA5175[N],
LEU97O5175[N],
LEU97C5175[N],
GLU107O14172[N], 4[O], 8[C],
GLU107C3173[O],
ARG108CG5171[C], 4[O],
ARG108CB9174[O], 5[C],
ARG108C491728[C], 8[O], 13[N],
ARG108N6172[C], 4[O],
ARG108O711740[C], 13[O], 18[N],
ARG108NE4174[O],
ARG108CD3173[O],
ARG108CZ3173[O],
ARG108CA271715[C], 6[N], 6[O],
LEU109CD217179[N], 8[C],
LEU109CG391721[C], 18[N],
LEU109CD1461724[C], 20[N], 2[O],
LEU109N361722[C], 10[N], 4[O],
LEU109O11176[C], 5[N],
LEU109C351715[N], 20[C],
LEU109CA46174[O], 15[N], 27[C],
LEU109CB341715[N], 19[C],
THR110CA271712[N], 15[C],
THR110N391716[N], 23[C],
THR110CB251711[N], 14[C],
THR110C251710[N], 15[C],
THR110CG27176[N], 1[C],
THR110O401720[C], 20[N],
THR110OG116177[N], 9[C],
VAL111CG13173[N],
VAL111CB6171[C], 5[N],
VAL111N14174[C], 10[N],
VAL111CG2241710[C], 14[N],
VAL111CA8172[C], 6[N],
PRO112O5175[N],
PRO112C5175[N],
HIS113CA191711[N], 8[C],
HIS113NE2661720[N], 10[O], 1[S], 2[P], 33[C],
HIS113C5175[N],
HIS113CD2491726[C], 3[O], 20[N],
HIS113CE127176[N], 8[O], 2[P], 11[C],
HIS113CB171710[N], 7[C],
HIS113CG221711[C], 11[N],
HIS113ND110172[C], 6[N], 2[O],
HIS113N7172[C], 5[N],
VAL114CG13171[C], 2[O],
VAL114N9179[N],
VAL114CG23171[C], 2[N],
VAL114O1171[O],
ARG119CD11175[O], 6[C],
ARG119CZ1021762[C], 2[P], 20[N], 14[O], 4[S],
ARG119NE441727[C], 1[P], 8[N], 3[S], 5[O],
ARG119CG5171[O], 4[C],
PHE121CD11521767[C], 67[N], 18[O],
PHE121CB991737[C], 16[O], 46[N],
PHE121CZ21417108[C], 4[S], 20[O], 82[N],
PHE121CG1351764[C], 54[N], 17[O],
PHE121C2172[N],
PHE121CA321726[N], 6[C],
PHE121CD21581769[C], 72[N], 17[O],
PHE121O4172[O], 2[N],
PHE121CE2201171[S], 19[O], 80[N], 101[C],
PHE121N4174[N],
PHE121CE12021721[O], 83[N], 98[C],
VAL122CG24174[O],
Total = 265



Download csv file of statistical distribution of contacts