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: ANP_B_5(5EQ6) / Model_21(5EQ6/B) = [7.9] Download1173.7410.03MGVDISSTSVKLLELSVKNGKYWVESYALMPLPENSVVEKNILNPEAVAEALERAMNLANPQTTHAAIAVPTSTVIHKTIEMDADMSDDEREVQIRVDAEQYIPFPLDEVSLDFEVLPDRLANPNRVNVLLVATRTENVETRVEVLELADLNPKLADVESYAVERTFSVFADSLPIGANTIGILDIGHTMTTLSVMQNGKIIYTREQVFGGKQLTLEIQSRYGLSLEEASRAKKDRSLPDDYEIEVLDPFLDAVVQQAARSLQFFFSSSQFNEIDHILLAGGNANIPGLAKLLQQKLGYRVTIANPFLQMGFSPQVDVQKIENDASSLMVACGLALRSFD
Complex: ADP_A_3(5EOY) / Model_3(5EOY/A) = [6.0] Download1250.2612.64MGVDISSTSVKLLELSVKNGKYWVESYALMPLPENSVVEKNILNPEAVAEALERAMNLANPQTTHAAIAVPTSTVIHKTIEMDADMSDDEREVQIRVDAEQYIPFPLDEVSLDFEVLPDRLANPNRVNVLLVATRTENVETRVEVLELADLNPKLADVESYAVERTFSVFADSLPIGANTIGILDIGHTMTTLSVMQNGKIIYTREQVFGGKQLTLEIQSRYGLSLEEASRAKKDRSLPDDYEIEVLDPFLDAVVQQAARSLQFFFSSSQFNEIDHILLAGGNANIPGLAKLLQQKLGYRVTIANPFLQMGFSPQVDVQKIENDASSLMVACGLALRSFD
Consensus
[pKd Mean = 6.95]		-1212
(s=38)		11
(s=1)		MGVDISSTSVKLLELSVKNGKYWVESYALMPLPENSVVEKNILNPEAVAEALERAMNLANPQTTHAAIAVPTSTVIHKTIEMDADMSDDEREVQIRVDAEQYIPFPLDEVSLDFEVLPDRLANPNRVNVLLVATRTENVETRVEVLELADLNPKLADVESYAVERTFSVFADSLPIGANTIGILDIGHTMTTLSVMQNGKIIYTREQVFGGKQLTLEIQSRYGLSLEEASRAKKDRSLPDDYEIEVLDPFLDAVVQQAARSLQFFFSSSQFNEIDHILLAGGNANIPGLAKLLQQKLGYRVTIANPFLQMGFSPQVDVQKIENDASSLMVACGLALRSFD



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]
ASP4C222[O],
ASP4CB323[O],
ASP4OD21825[P], 12[O], 1[N],
ASP4CA121[O],
ASP4OD1725[O], 2[P],
ASP4O523[O], 2[P],
ASP4CG1022[P], 8[O],
ILE5CA222[O],
ILE5C926[O], 1[N], 2[P],
ILE5N121[O],
ILE5O921[P], 1[N], 7[O],
SER6N1323[P], 1[N], 9[O],
SER6CB2221[N], 16[O], 5[P],
SER6CA1725[P], 11[O], 1[N],
SER6OG2425[P], 2[C], 1[N], 16[O],
SER6O1123[P], 1[N], 7[O],
SER6C1423[P], 1[N], 10[O],
SER7CA1421[N], 10[O], 3[P],
SER7C14210[O], 1[N], 3[P],
SER7CB1423[P], 10[O], 1[N],
SER7N1725[P], 1[N], 11[O],
SER7O1023[P], 1[N], 6[O],
SER7OG1725[P], 11[O], 1[N],
THR8O1328[O], 1[N], 3[P], 1[C],
THR8CG22721[N], 15[O], 6[C], 5[P],
THR8OG13628[C], 5[P], 1[N], 22[O],
THR8C2022[C], 5[P], 1[N], 12[O],
THR8CB3228[C], 5[P], 1[N], 18[O],
THR8N1921[C], 5[P], 12[O], 1[N],
THR8CA23214[O], 1[N], 5[P], 3[C],
SER9O1524[P], 10[O], 1[N],
SER9C1424[P], 9[O], 1[N],
SER9CB2121[N], 13[O], 3[C], 4[P],
SER9N2225[P], 2[C], 14[O], 1[N],
SER9OG26215[O], 1[N], 5[C], 5[P],
SER9CA1624[P], 1[C], 1[N], 10[O],
VAL10O121[O],
VAL10CA222[O],
VAL10C222[O],
VAL10N621[P], 5[O],
LYS11NZ2726[C], 5[P], 15[O], 1[N],
LYS11CG1424[P], 10[O],
LYS11N323[O],
LYS11CE2424[C], 5[P], 1[N], 14[O],
LYS11CD20213[O], 1[N], 4[P], 2[C],
LYS11CB424[O],
LEU29CB222[O],
LEU29CG922[C], 2[P], 5[O],
LEU29CD22122[N], 10[O], 2[P], 7[C],
LEU29CD11624[P], 2[C], 10[O],
LEU32CD1222[O],
VAL37CB121[O],
VAL37CG1121[O],
VAL37O221[O], 1[P],
VAL37C121[O],
VAL38C121[O],
GLU39O621[N], 4[O], 1[P],
GLU39N121[O],
GLU39CA121[O],
GLU39C322[O], 1[P],
LYS40NZ1323[P], 1[N], 9[O],
LYS40CD621[P], 4[O], 1[N],
LYS40CA121[O],
LYS40CB121[O],
LYS40CG222[O],
LYS40N121[O],
LYS40CE1027[O], 1[N], 2[P],
GLU159OE2422[O], 2[P],
GLU159OE1121[O],
GLU159CD222[O],
ASP185O1022[P], 8[O],
ASP185CA424[O],
ASP185CB525[O],
ASP185OD123215[O], 1[N], 2[C], 5[P],
ASP185CG1525[P], 10[O],
ASP185OD21424[P], 10[O],
ASP185C1022[P], 8[O],
ILE186CG2822[C], 6[O],
ILE186O4425[P], 14[C], 20[O], 5[N],
ILE186N1028[O], 2[P],
ILE186CB1026[O], 2[C], 2[P],
ILE186CA21213[O], 4[P], 4[C],
ILE186C33219[O], 1[N], 8[C], 5[P],
GLY187O42222[O], 4[N], 5[P], 11[C],
GLY187N3428[C], 5[P], 20[O], 1[N],
GLY187C40222[O], 3[N], 5[P], 10[C],
GLY187CA36220[O], 1[N], 5[P], 10[C],
HIS188N4123[N], 22[O], 5[P], 11[C],
HIS188NE225210[C], 2[P], 1[N], 12[O],
HIS188ND140218[O], 4[N], 13[C], 5[P],
HIS188CA41222[O], 3[N], 11[C], 5[P],
HIS188O3321[N], 17[O], 5[P], 10[C],
HIS188CG39222[O], 2[N], 10[C], 5[P],
HIS188CE12722[N], 12[O], 3[P], 10[C],
HIS188C3825[P], 10[C], 22[O], 1[N],
HIS188CB4123[N], 22[O], 5[P], 11[C],
HIS188CD23225[P], 10[C], 1[N], 16[O],
THR189CA18212[O], 1[N], 2[C], 3[P],
THR189CG21222[P], 1[C], 1[N], 8[O],
THR189N29217[O], 1[N], 6[C], 5[P],
THR189O624[O], 1[N], 1[P],
THR189OG11421[N], 10[O], 3[P],
THR189CB1423[P], 1[N], 10[O],
THR189C1223[P], 8[O], 1[N],
MET190CE721[P], 5[O], 1[N],
MET190CG922[P], 1[N], 6[O],
MET190SD621[P], 5[O],
MET190CB1323[P], 9[O], 1[N],
MET190C1323[P], 1[N], 9[O],
MET190CA1221[N], 8[O], 3[P],
MET190O21214[O], 1[N], 5[P], 1[C],
MET190N1624[P], 1[N], 11[O],
THR191CA321[P], 2[O],
THR191N625[O], 1[P],
THR191C121[O],
THR191OG1121[O],
THR192CB121[O],
THR192N121[O],
THR192OG1121[O],
GLN207O121[O],
PHE209C121[O],
PHE209O321[P], 2[O],
GLY210C19210[C], 9[O],
GLY210CA1328[O], 4[C], 1[P],
GLY210O924[O], 5[C],
GLY210N121[O],
GLY211N33213[O], 5[N], 3[P], 12[C],
GLY211CA31210[O], 4[N], 1[P], 16[C],
GLY211O2524[N], 7[O], 14[C],
GLY211C25212[C], 4[N], 9[O],
LYS212CG622[C], 4[O],
LYS212CA1629[C], 7[O],
LYS212CD323[O],
LYS212C724[O], 3[C],
LYS212O424[O],
LYS212N21210[C], 10[O], 1[N],
LYS212CB1125[O], 6[C],
GLN213N424[O],
LEU214CB1729[C], 5[O], 3[N],
LEU214CD1522[N], 1[O], 2[C],
LEU214N424[O],
LEU214C624[O], 1[N], 1[C],
LEU214O121[O],
LEU214CA621[N], 4[O], 1[C],
LEU214CG1627[C], 4[O], 5[N],
LEU214CD22626[O], 6[N], 14[C],
THR215OG124214[C], 4[N], 6[O],
THR215N1126[C], 1[N], 4[O],
THR215CG2824[C], 4[O],
THR215CA924[O], 5[C],
THR215C424[O],
THR215CB1224[O], 8[C],
LEU216N121[O],
ILE218CD1421[C], 2[O], 1[N],
LEU226CD1424[O],
LEU226O222[O],
ALA229O521[N], 2[O], 2[C],
ALA229CB121[O],
ALA229C322[O], 1[C],
SER230N723[C], 4[O],
SER230OG1926[O], 2[N], 11[C],
SER230CA20211[C], 5[N], 4[O],
SER230O3226[O], 10[N], 16[C],
SER230CB2125[O], 3[N], 13[C],
SER230C27215[C], 4[O], 8[N],
ARG231C321[O], 1[N], 1[C],
ARG231O523[N], 2[C],
ARG231CA121[O],
ARG231N522[C], 2[O], 1[N],
ALA232O724[N], 3[C],
ALA232C925[C], 4[N],
LYS233O23210[N], 1[O], 12[C],
LYS233NZ3628[O], 8[N], 20[C],
LYS233N21211[C], 2[O], 8[N],
LYS233CE3529[N], 6[O], 20[C],
LYS233CA26214[C], 10[N], 2[O],
LYS233CG3426[O], 10[N], 18[C],
LYS233C2622[O], 10[N], 14[C],
LYS233CB33217[C], 6[O], 10[N],
LYS233CD36220[C], 10[N], 6[O],
LYS234NZ26214[C], 3[O], 9[N],
LYS234C1628[N], 8[C],
LYS234O1427[N], 7[C],
LYS234CE27210[N], 2[O], 15[C],
LYS234CG25213[C], 10[N], 2[O],
LYS234N26210[N], 2[O], 14[C],
LYS234CB23212[C], 10[N], 1[O],
LYS234CA23212[C], 10[N], 1[O],
LYS234CD26214[C], 10[N], 2[O],
ASP235CA222[N],
ASP235N1025[N], 5[C],
ARG236CD422[C], 2[N],
ARG236CG422[N], 2[C],
ARG236CZ422[C], 2[N],
ARG236NE422[N], 2[C],
TYR242CZ121[C],
LEU247CG121[C],
LEU247CD2523[N], 2[C],
LEU247CD1322[N], 1[C],
PHE250CE2724[C], 2[N], 1[O],
PHE250CD2422[N], 2[C],
PHE250CZ923[O], 2[N], 4[C],
ALA280CB222[O],
ALA280C922[P], 7[O],
ALA280O927[O], 2[P],
ALA280CA222[O],
GLY281N18212[O], 4[P], 2[C],
GLY281CA3123[N], 16[O], 4[P], 8[C],
GLY281C41217[C], 4[P], 6[N], 14[O],
GLY281O4122[P], 18[C], 9[N], 12[O],
GLY282CA5224[P], 20[C], 18[O], 10[N],
GLY282C47214[O], 10[N], 3[P], 20[C],
GLY282O45210[N], 13[O], 20[C], 2[P],
GLY282N53220[C], 4[P], 10[N], 19[O],
ASN283CA4622[P], 20[C], 10[N], 14[O],
ASN283CB4328[N], 13[O], 20[C], 2[P],
ASN283C41220[C], 1[P], 10[O], 10[N],
ASN283N50210[N], 16[O], 4[P], 20[C],
ASN283OD13729[N], 8[O], 20[C],
ASN283O3125[O], 10[N], 16[C],
ASN283ND222210[C], 6[N], 6[O],
ASN283CG36220[C], 8[O], 8[N],
ALA284CA2422[O], 10[N], 12[C],
ALA284O1426[N], 8[C],
ALA284N36218[C], 2[P], 6[O], 10[N],
ALA284C24212[C], 10[N], 2[O],
ALA284CB321[C], 2[O],
ASN285N24212[C], 2[O], 10[N],
ASN285CB25213[C], 2[O], 10[N],
ASN285ND239219[C], 2[P], 8[O], 10[N],
ASN285O20210[N], 10[C],
ASN285C2321[O], 10[N], 12[C],
ASN285OD121210[C], 1[O], 10[N],
ASN285CG25212[C], 10[N], 3[O],
ASN285CA24210[N], 2[O], 12[C],
ILE286CB1728[C], 9[N],
ILE286CG12623[O], 10[N], 13[C],
ILE286N2422[O], 10[N], 12[C],
ILE286C1428[C], 6[N],
ILE286CD12128[N], 3[O], 10[C],
ILE286CA19210[N], 9[C],
ILE286O1026[N], 4[C],
ILE286CG21326[N], 7[C],
PRO287CB421[C], 3[N],
PRO287N1125[C], 6[N],
PRO287CA723[C], 4[N],
PRO287CD1426[N], 8[C],
PRO287CG824[C], 4[N],
LEU289CD2322[C], 1[N],
ASN323C1427[C], 7[N],
ASN323CA925[C], 4[N],
ASN323ND2423[N], 1[C],
ASN323CB1025[C], 5[N],
ASN323N222[N],
ASN323O22211[C], 1[O], 10[N],
ASN323CG623[N], 3[C],
ASN323OD1322[N], 1[C],
ASP324C522[N], 1[O], 2[C],
ASP324O822[N], 4[O], 1[P], 1[C],
ASP324CA1124[N], 1[O], 6[C],
ASP324N1026[C], 4[N],
ASP324CB723[C], 1[O], 3[N],
ASP324CG1226[N], 1[O], 5[C],
ASP324OD12123[O], 7[N], 11[C],
ASP324OD2422[N], 2[C],
SER326C822[P], 6[O],
SER326O1028[O], 2[P],
SER326CA222[O],
SER326CB222[O],
SER326OG2125[N], 7[O], 7[C], 2[P],
SER327CA2524[P], 6[C], 14[O], 1[N],
SER327OG30214[O], 4[N], 4[P], 8[C],
SER327C1822[C], 4[P], 12[O],
SER327N1721[N], 10[O], 4[C], 2[P],
SER327CB36213[C], 4[P], 4[N], 15[O],
SER327O1824[P], 2[C], 12[O],
LEU328CD2222[O],
LEU328CA424[O],
LEU328CG121[O],
LEU328N722[P], 5[O],
MET329N222[O],
VAL330CG2424[O],
VAL330CB222[O],
Total = 283



Download csv file of statistical distribution of contacts