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 :C3_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 C3_S1
Complex: ANP_A_3(4KP4) / Model_40(4KP4/A) = [9.5] Download1018.3624.72MSLEPIPPQTFTDYVAYSERKRTRWERFLDKIKPRSAAMRTTILVLLVVLFSLFMSLWFFWRTLYLPEIQQHARYLAVELELVNNPNIRIFHRDSEVDVDTWLRNRVGIEYVTNPKEYPSVRDKIIAEFFTNQVEQKLANEIGAKDVTVYFQFKPSPRIWIQTPEMHGNWVREPLKTYANYSPELLVGWVVGVPLVSAIIILILVRQMNRPLRRLQNAANEYSKSGTAPYLDTNHGPLEIRQVNQAFNRMVYTLEQTERERRIMLAGISHDLRTPLTRIRLTAEMLPDEFLREGLVYDVDDMDAILNQFISYMRDGSDEELKDTNINILLQELVVQFKPLDVRFNMQDVPIIPARSLSLKRLIANLINNAKRYGAEPIELSAKVENEHILITVADHGEGIPEDQIEELMQPFVRGNSARTIQGSGLGLAIVKRIVDIHQGEIQIHNREQGGLEVIISLPIPKPAPDENTTHNPLEKIKQTLSERF
Consensus
[pKd Mean = 9.50]		-1018
(s=0)		24
(s=0)		MSLEPIPPQTFTDYVAYSERKRTRWERFLDKIKPRSAAMRTTILVLLVVLFSLFMSLWFFWRTLYLPEIQQHARYLAVELELVNNPNIRIFHRDSEVDVDTWLRNRVGIEYVTNPKEYPSVRDKIIAEFFTNQVEQKLANEIGAKDVTVYFQFKPSPRIWIQTPEMHGNWVREPLKTYANYSPELLVGWVVGVPLVSAIIILILVRQMNRPLRRLQNAANEYSKSGTAPYLDTNHGPLEIRQVNQAFNRMVYTLEQTERERRIMLAGISHDLRTPLTRIRLTAEMLPDEFLREGLVYDVDDMDAILNQFISYMRDGSDEELKDTNINILLQELVVQFKPLDVRFNMQDVPIIPARSLSLKRLIANLINNAKRYGAEPIELSAKVENEHILITVADHGEGIPEDQIEELMQPFVRGNSARTIQGSGLGLAIVKRIVDIHQGEIQIHNREQGGLEVIISLPIPKPAPDENTTHNPLEKIKQTLSERF



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]
HIS270ND1711[N], 5[O], 1[P],
HIS270C413[O], 1[P],
HIS270CE11111[N], 3[P], 7[O],
HIS270CG611[P], 4[O], 1[N],
HIS270CD21111[N], 7[O], 3[P],
HIS270CB411[P], 3[O],
HIS270CA411[P], 3[O],
HIS270NE21211[N], 3[P], 8[O],
HIS270O411[P], 3[O],
ASP271OD1212[O],
ARG273CB111[O],
ARG273NE111[O],
ARG273CG111[O],
ARG273CZ111[O],
ARG273CD111[O],
THR274CG2212[O],
ASN365ND2212[O],
ASN365CG513[O], 2[P],
ASN365CB715[O], 2[P],
ASN365N111[O],
ASN365C411[N], 3[O],
ASN365CA413[O], 1[P],
ASN365O1212[C], 2[N], 5[O], 3[P],
ASN365OD11111[N], 7[O], 3[P],
LEU366N311[N], 2[O],
LEU366CD2511[O], 2[N], 2[C],
LEU366CA512[C], 2[N], 1[O],
LEU366CB212[N],
LEU366C412[C], 2[N],
LEU366O613[N], 3[C],
ILE367N111[N],
ILE367C111[N],
ILE367CA111[N],
ILE367O111[N],
ASN368CB413[O], 1[P],
ASN368O612[N], 2[C], 2[O],
ASN368ND2812[P], 5[O], 1[N],
ASN368CA111[O],
ASN368OD1212[O],
ASN368C712[N], 3[C], 2[O],
ASN368CG411[P], 3[O],
ASN369ND231110[C], 6[N], 3[P], 12[O],
ASN369CB2718[O], 3[P], 10[C], 6[N],
ASN369CA2216[N], 8[C], 5[O], 3[P],
ASN369OD12919[C], 6[N], 3[P], 11[O],
ASN369C1215[N], 5[C], 2[O],
ASN369CG30110[C], 6[N], 11[O], 3[P],
ASN369N1314[N], 4[C], 3[O], 2[P],
ASN369O1311[O], 7[C], 5[N],
ALA370O613[C], 3[N],
ALA370C613[C], 3[N],
ALA370CA914[N], 5[C],
ALA370CB512[C], 3[N],
ALA370N1015[N], 5[C],
LYS371CA111[N],
LYS371N513[N], 2[C],
LYS371O111[N],
LYS371C211[N], 1[C],
ARG372NE1411[C], 1[N], 3[P], 9[O],
ARG372CZ1411[N], 1[C], 3[P], 9[O],
ARG372CB1612[P], 4[O], 5[N], 5[C],
ARG372N513[N], 2[C],
ARG372CD1919[O], 3[P], 3[N], 4[C],
ARG372C1115[N], 5[C], 1[O],
ARG372CA611[O], 3[N], 2[C],
ARG372O713[N], 4[C],
ARG372CG814[O], 2[P], 2[N],
TYR373CE130111[O], 3[P], 6[N], 10[C],
TYR373CD12716[N], 10[C], 2[P], 9[O],
TYR373CZ3116[N], 10[C], 3[P], 12[O],
TYR373CA1411[O], 5[N], 8[C],
TYR373C1015[N], 5[C],
TYR373CG23110[C], 5[N], 1[P], 7[O],
TYR373N1311[O], 7[C], 5[N],
TYR373CB1814[O], 5[N], 9[C],
TYR373CD22216[O], 1[P], 10[C], 5[N],
TYR373O1015[C], 5[N],
TYR373CE22716[N], 10[C], 9[O], 2[P],
GLY374N814[C], 4[N],
GLY374C312[N], 1[C],
GLY374CA613[C], 3[N],
GLY374O111[N],
VAL393O111[N],
VAL393CB111[N],
VAL393CG2211[C], 1[N],
VAL393C111[N],
ALA394C211[N], 1[C],
ALA394CA111[N],
ALA394O111[N],
ALA394N111[N],
ASP395CA412[C], 2[N],
ASP395OD1914[C], 5[N],
ASP395CG1015[C], 5[N],
ASP395O412[N], 2[C],
ASP395N312[N], 1[C],
ASP395CB714[N], 3[C],
ASP395OD21015[C], 5[N],
ASP395C412[C], 2[N],
HIS396CA111[N],
HIS396N311[C], 2[N],
HIS396O111[N],
HIS396C312[N], 1[C],
GLY397CA714[C], 3[N],
GLY397N512[C], 3[N],
GLY397O513[N], 2[C],
GLY397C613[C], 3[N],
GLU398CD312[N], 1[C],
GLU398CA613[C], 3[N],
GLU398N713[N], 4[C],
GLU398CG311[C], 2[N],
GLU398O513[C], 2[N],
GLU398C713[N], 4[C],
GLU398OE1311[C], 2[N],
GLU398CB513[C], 2[N],
GLY399O1412[O], 7[C], 5[N],
GLY399CA1015[C], 5[N],
GLY399N914[C], 5[N],
GLY399C1415[N], 7[C], 2[O],
ILE400CG21614[N], 10[C], 2[O],
ILE400C815[C], 3[N],
ILE400CG119110[C], 5[N], 4[O],
ILE400CB1619[C], 5[N], 2[O],
ILE400N1215[N], 6[C], 1[O],
ILE400O412[N], 2[C],
ILE400CD121110[C], 5[N], 5[O], 1[P],
ILE400CA1412[O], 5[N], 7[C],
PRO401CD612[N], 3[C], 1[O],
PRO401N311[N], 2[C],
GLN404C111[O],
GLN404O211[O], 1[C],
GLN404CG111[O],
GLN404CB412[O], 2[C],
GLN404OE1111[O],
ILE405CA111[O],
ILE405N111[O],
ILE405O312[C], 1[O],
GLU407C312[C], 1[O],
GLU407O312[C], 1[O],
LEU408CB1917[C], 3[N], 8[O], 1[P],
LEU408CA1416[C], 1[N], 6[O], 1[P],
LEU408CD21617[O], 1[P], 1[N], 7[C],
LEU408O1718[O], 2[P], 6[C], 1[N],
LEU408C1411[P], 6[O], 6[C], 1[N],
LEU408N613[O], 3[C],
LEU408CD11813[N], 9[C], 5[O], 1[P],
LEU408CG1515[O], 1[P], 7[C], 2[N],
MET409N711[P], 4[O], 2[C],
MET409CA714[O], 1[P], 2[C],
MET409O311[C], 1[P], 1[O],
MET409CB211[C], 1[O],
MET409C411[P], 2[O], 1[C],
MET409CG111[O],
GLN410C311[O], 1[P], 1[C],
GLN410CA111[O],
GLN410N311[O], 1[P], 1[C],
GLN410O711[P], 4[O], 2[C],
PRO411O111[O],
PRO411CB111[O],
PRO411CA211[P], 1[O],
PRO411C111[O],
PRO411N111[O],
PHE412O111[O],
PHE412C611[P], 4[O], 1[C],
PHE412CA511[P], 4[O],
PHE412N413[O], 1[P],
PHE412CD1111[O],
PHE412CE1111[O],
VAL413N1112[C], 1[N], 6[O], 2[P],
VAL413O1915[C], 1[N], 3[P], 10[O],
VAL413CA1012[P], 5[O], 3[C],
VAL413C1815[C], 1[N], 2[P], 10[O],
VAL413CG2111[O],
VAL413CB812[C], 5[O], 1[P],
VAL413CG1714[O], 3[C],
ARG414C1712[N], 5[C], 8[O], 2[P],
ARG414N1615[C], 1[N], 8[O], 2[P],
ARG414CA1913[P], 10[O], 1[N], 5[C],
ARG414CG1714[C], 1[N], 3[P], 9[O],
ARG414NE1513[P], 8[O], 3[C], 1[N],
ARG414CZ1811[N], 4[C], 10[O], 3[P],
ARG414CD1511[N], 3[C], 8[O], 3[P],
ARG414O1415[C], 2[P], 7[O],
ARG414CB1815[C], 1[N], 3[P], 9[O],
GLY415N1912[P], 8[O], 7[C], 2[N],
GLY415C915[C], 4[O],
GLY415CA1511[P], 5[O], 7[C], 2[N],
GLY415O914[O], 5[C],
ASN416CA312[O], 1[C],
ASN416C412[O], 2[C],
ASN416N714[C], 3[O],
ASN416O212[O],
ASN416CB111[O],
SER417N513[C], 2[O],
SER417O611[N], 3[C], 2[O],
SER417OG511[O], 1[N], 3[C],
SER417CB1112[N], 6[C], 3[O],
SER417C1015[C], 2[N], 3[O],
SER417CA611[N], 3[C], 2[O],
ALA418CA1716[O], 1[P], 2[N], 8[C],
ALA418N1317[C], 2[N], 4[O],
ALA418C814[C], 1[P], 3[O],
ALA418O813[C], 1[P], 4[O],
ALA418CB2219[C], 4[N], 7[O], 2[P],
ARG419N513[O], 2[C],
ARG419CA212[O],
ARG419CB111[O],
ARG419C111[O],
ILE421O811[N], 2[C], 4[O], 1[P],
ILE421CG2911[N], 2[C], 5[O], 1[P],
ILE421CG1312[O], 1[C],
ILE421CB712[C], 1[P], 4[O],
ILE421N111[O],
ILE421CA212[O],
ILE421C511[N], 1[P], 3[O],
ILE421CD1912[O], 4[C], 3[N],
GLN422CA611[N], 3[O], 2[P],
GLN422CB211[N], 1[O],
GLN422C1011[N], 7[O], 2[P],
GLN422N513[O], 1[P], 1[N],
GLN422O1112[P], 7[O], 1[C], 1[N],
GLY423C1319[O], 3[P], 1[N],
GLY423CA1411[C], 1[N], 3[P], 9[O],
GLY423N1011[N], 2[P], 7[O],
GLY423O1017[O], 2[P], 1[N],
SER424C1713[C], 1[N], 3[P], 10[O],
SER424CA14110[O], 3[P], 1[N],
SER424CB1218[O], 3[P], 1[N],
SER424N1612[C], 1[N], 3[P], 10[O],
SER424OG911[N], 6[O], 2[P],
SER424O1511[C], 1[N], 10[O], 3[P],
GLY425CA1913[P], 11[O], 1[N], 4[C],
GLY425N1811[N], 3[C], 11[O], 3[P],
GLY425O1711[N], 3[C], 3[P], 10[O],
GLY425C1811[N], 3[C], 11[O], 3[P],
LEU426CD11013[P], 6[O], 1[N],
LEU426CA1411[N], 1[C], 9[O], 3[P],
LEU426N1711[N], 3[C], 3[P], 10[O],
LEU426CG1013[P], 6[O], 1[N],
LEU426CB1419[O], 3[P], 1[N], 1[C],
LEU426CD2711[P], 5[O], 1[N],
LEU426C1411[C], 1[N], 3[P], 9[O],
LEU426O1411[N], 1[C], 3[P], 9[O],
GLY427O1111[C], 3[P], 7[O],
GLY427C1613[P], 9[O], 1[N], 3[C],
GLY427CA1613[P], 9[O], 3[C], 1[N],
GLY427N1714[C], 1[N], 9[O], 3[P],
LEU428CA1613[C], 2[N], 3[P], 8[O],
LEU428CG2016[O], 2[P], 9[C], 3[N],
LEU428CB2118[C], 2[N], 2[P], 9[O],
LEU428O511[P], 3[O], 1[C],
LEU428N2014[C], 3[N], 10[O], 3[P],
LEU428CD12112[P], 7[O], 3[N], 9[C],
LEU428C611[P], 4[O], 1[C],
LEU428CD226110[C], 5[N], 9[O], 2[P],
ALA429N812[P], 5[O], 1[C],
ALA429C311[P], 2[O],
ALA429CA611[C], 4[O], 1[P],
ALA429O111[O],
ALA429CB711[P], 5[O], 1[C],
ILE430CG1212[O],
ILE430CD1611[P], 5[O],
ILE430N413[O], 1[P],
ILE430CB313[O],
ILE430CA111[O],
VAL431N212[O],
VAL431CB111[O],
VAL431CG2111[O],
ILE444CD1111[O],
ARG447CG312[N], 1[C],
ARG447CD111[N],
GLY450O211[C], 1[N],
GLY451O412[N], 2[C],
GLY451CA512[C], 3[N],
GLY451C613[N], 3[C],
GLY451N111[N],
LEU452CB1116[C], 5[N],
LEU452O613[C], 3[N],
LEU452CA1015[N], 5[C],
LEU452CG1216[C], 5[N], 1[O],
LEU452N814[C], 4[N],
LEU452CD11211[O], 5[N], 6[C],
LEU452CD21515[N], 8[C], 2[O],
LEU452C814[C], 4[N],
GLU453N513[C], 2[N],
GLU453CA111[N],
GLU453C111[N],
VAL454N111[N],
VAL454CA111[N],
VAL454CG1212[N],
VAL454CG2814[N], 4[C],
VAL454CB412[N], 2[C],
Total = 291



Download csv file of statistical distribution of contacts