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 :C7_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 C7_S1
Complex: 2E7_A_4(4MV5) / Model_13(4MV5/A) = [6.2] Download412.637.19MEIVLANPRGFCAGVDRAIAIVNRALECFNPPIYVRHEVVHNKFVVDDLRQRGAVFVDELDQVPDDSIVIFSAHGVSKAVQQEAERRGLKVFDATCPLVTKVHIEVTKYAREGTEAILIGHEGHPEVEGTMGQYDKLKGGDIYLVEDEADVAALEVRHPEKLAFVTQTTLSIDDTAKVIDALRAKFPNIQGPRKDDICYATQNRQDAVRDLAEKCDVVLVVGSPNSSNSNRLRELAERMGKAAYLVDNADQLEQSWFNDTCKIGVTAGASAPEILIKQVIQRLQDWGAQAPKELEGREENITFSLPKELRIHVTQA
Consensus
[pKd Mean = 6.20]		-412
(s=0)		7
(s=0)		MEIVLANPRGFCAGVDRAIAIVNRALECFNPPIYVRHEVVHNKFVVDDLRQRGAVFVDELDQVPDDSIVIFSAHGVSKAVQQEAERRGLKVFDATCPLVTKVHIEVTKYAREGTEAILIGHEGHPEVEGTMGQYDKLKGGDIYLVEDEADVAALEVRHPEKLAFVTQTTLSIDDTAKVIDALRAKFPNIQGPRKDDICYATQNRQDAVRDLAEKCDVVLVVGSPNSSNSNRLRELAERMGKAAYLVDNADQLEQSWFNDTCKIGVTAGASAPEILIKQVIQRLQDWGAQAPKELEGREENITFSLPKELRIHVTQA



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]
PHE11CA111[C],
PHE11C111[C],
CYS12N311[O], 2[C],
CYS12C111[C],
CYS12CA111[C],
CYS12CB511[O], 4[C],
CYS12SG1113[O], 1[P], 6[C], 1[N],
CYS12O111[C],
GLY14O414[C],
GLY14C716[C], 1[O],
GLY14N414[C],
GLY14CA716[C], 1[N],
VAL15CG21411[N], 2[P], 6[C], 5[O],
VAL15CG1713[O], 1[P], 3[C],
VAL15N1012[O], 6[C], 1[P], 1[N],
VAL15CB1011[P], 5[C], 4[O],
VAL15CA812[O], 5[C], 1[P],
VAL15C313[C],
VAL15O212[C],
ASP16N111[C],
ALA18CB212[C],
HIS37NE2313[O],
HIS37CD2212[O],
GLU38C111[O],
GLU38CB111[O],
GLU38CA111[O],
GLU38OE1312[O], 1[P],
GLU38O511[P], 2[C], 2[O],
VAL39N111[O],
VAL39CB111[O],
VAL39CA211[O], 1[C],
VAL39C911[P], 4[C], 4[O],
VAL39O1114[O], 6[C], 1[P],
VAL39CG1111[O],
VAL40N911[P], 4[C], 4[O],
VAL40CA1516[C], 2[P], 1[N], 6[O],
VAL40O913[C], 1[P], 5[O],
VAL40CG11214[O], 6[C], 1[P], 1[N],
VAL40CB1312[P], 6[C], 1[N], 4[O],
VAL40C1412[P], 5[C], 7[O],
VAL40CG2813[C], 1[P], 4[O],
HIS41NE21512[P], 6[C], 7[O],
HIS41ND11712[P], 7[C], 1[N], 7[O],
HIS41N1611[N], 2[P], 6[C], 7[O],
HIS41CG1611[N], 2[P], 6[C], 7[O],
HIS41CB1517[O], 5[C], 2[P], 1[N],
HIS41CD21317[O], 4[C], 2[P],
HIS41CE11712[P], 7[C], 1[N], 7[O],
HIS41C1016[O], 2[P], 2[C],
HIS41CA1317[O], 2[P], 4[C],
HIS41O1117[O], 2[P], 2[C],
ASN42CB413[O], 1[P],
ASN42OD1111[O],
ASN42C212[O],
ASN42N711[C], 1[P], 5[O],
ASN42CG212[O],
ASN42CA413[O], 1[P],
SER72O414[C],
SER72CB312[C], 1[O],
SER72CA212[C],
SER72C514[C], 1[O],
SER72OG514[C], 1[O],
ALA73C1317[C], 1[P], 1[N], 4[O],
ALA73CB1317[C], 1[P], 1[N], 4[O],
ALA73CA1211[P], 7[C], 1[N], 3[O],
ALA73N811[O], 1[N], 6[C],
ALA73O1113[O], 1[N], 7[C],
HIS74CD21717[O], 7[C], 2[P], 1[N],
HIS74ND11717[O], 2[P], 7[C], 1[N],
HIS74CE11711[N], 2[P], 7[C], 7[O],
HIS74CA1515[O], 1[N], 7[C], 2[P],
HIS74O816[C], 1[N], 1[O],
HIS74NE21717[C], 2[P], 1[N], 7[O],
HIS74N1414[O], 7[C], 2[P], 1[N],
HIS74CB1512[P], 7[C], 1[N], 5[O],
HIS74C811[N], 6[C], 1[O],
HIS74CG1717[O], 7[C], 2[P], 1[N],
GLY75C111[C],
GLY75CA313[C],
GLY75N514[C], 1[N],
GLY75O111[C],
ALA94C111[C],
ALA94O212[C],
THR95CB212[C],
THR95CA414[C],
THR95N111[C],
THR95C414[C],
THR95CG2313[C],
CYS96CA615[C], 1[N],
CYS96C414[C],
CYS96CB817[C], 1[N],
CYS96O313[C],
CYS96N615[C], 1[N],
CYS96SG817[C], 1[N],
LEU98C212[C],
LEU98CB212[C],
LEU98N111[C],
LEU98CA111[C],
LEU98O111[C],
VAL99CB615[C], 1[N],
VAL99C111[C],
VAL99CA411[N], 3[C],
VAL99N411[N], 3[C],
VAL99O111[C],
VAL99CG1514[C], 1[N],
VAL99CG2811[O], 6[C], 1[N],
THR100N111[C],
HIS103NE2111[C],
HIS124C212[O],
HIS124CA212[O],
HIS124ND11211[N], 5[C], 2[P], 4[O],
HIS124CE11717[O], 1[N], 2[P], 7[C],
HIS124NE21717[O], 1[N], 2[P], 7[C],
HIS124CD21111[N], 3[C], 2[P], 5[O],
HIS124CG814[O], 2[C], 1[P], 1[N],
HIS124CB312[O], 1[P],
PRO125CD513[O], 1[P],
PRO125CG814[O], 2[C], 1[P],
PRO125O111[C],
PRO125CB312[O],
PRO125C311[C], 1[O],
PRO125N412[O], 1[P],
PRO125CA211[O],
GLU126CB1216[C], 1[P], 1[N], 4[O],
GLU126CD1111[P], 6[C], 1[N], 3[O],
GLU126OE21214[O], 1[N], 1[P], 6[C],
GLU126CG916[C], 1[P], 1[N], 1[O],
GLU126C311[C], 1[O],
GLU126N811[P], 3[C], 1[N], 3[O],
GLU126CA611[N], 1[P], 3[C], 1[O],
GLU126O111[C],
GLU126OE1711[O], 1[N], 5[C],
VAL127N211[O],
THR130OG1111[C],
GLN167O111[C],
GLN167CB311[C], 1[N], 1[O],
GLN167CA211[N], 1[C],
GLN167NE2914[O], 1[N], 3[C], 1[P],
GLN167CD711[N], 2[C], 1[P], 3[O],
GLN167CG711[N], 1[P], 3[C], 2[O],
GLN167C311[N], 2[C],
GLN167OE1111[O],
THR168N611[O], 1[N], 4[C],
THR168C911[N], 1[P], 5[C], 2[O],
THR168CA811[N], 5[C], 2[O],
THR168CG2811[O], 6[C], 1[N],
THR168OG11411[N], 7[C], 1[P], 5[O],
THR168O714[C], 1[N], 2[O],
THR168CB1012[O], 1[N], 1[P], 6[C],
THR169CG21717[C], 2[P], 1[N], 7[O],
THR169O611[N], 1[P], 1[C], 3[O],
THR169CB1717[O], 2[P], 7[C], 1[N],
THR169CA1211[P], 5[C], 1[N], 5[O],
THR169C611[N], 1[C], 1[P], 3[O],
THR169OG11612[P], 7[C], 1[N], 6[O],
THR169N1111[N], 1[P], 5[C], 4[O],
LEU170N312[O], 1[N],
CYS198SG817[C], 1[N],
CYS198CB312[C], 1[N],
ALA200CB212[C],
THR201CG2111[O],
THR201N111[C],
THR201CB311[N], 1[C], 1[O],
THR201OG1911[N], 4[C], 1[P], 3[O],
GLY222CA111[O],
GLY222C111[O],
SER223CA111[O],
SER223C111[O],
SER223O411[P], 3[O],
SER223CB111[O],
SER223OG111[O],
SER223N111[O],
PRO224C111[O],
PRO224O111[O],
ASN225OD1612[P], 4[O],
ASN225C917[O], 2[P],
ASN225O912[P], 7[O],
ASN225ND2614[O], 2[P],
ASN225CG614[O], 2[P],
ASN225CB413[O], 1[P],
ASN225CA612[P], 4[O],
ASN225N212[O],
SER226CA1213[C], 2[P], 7[O],
SER226N912[P], 7[O],
SER226O912[P], 7[O],
SER226C1112[C], 2[P], 7[O],
SER226CB1213[C], 2[P], 7[O],
SER226OG1417[O], 4[C], 2[P], 1[N],
SER227OG1011[N], 1[C], 2[P], 6[O],
SER227CA1111[C], 2[P], 1[N], 7[O],
SER227N1317[O], 1[N], 3[C], 2[P],
SER227CB1414[C], 2[P], 1[N], 7[O],
SER227C1011[N], 2[P], 1[C], 6[O],
SER227O812[P], 6[O],
ASN228CB1511[N], 5[C], 2[P], 7[O],
ASN228OD11317[O], 1[N], 2[P], 3[C],
ASN228N1411[N], 4[C], 2[P], 7[O],
ASN228CG1617[O], 6[C], 2[P], 1[N],
ASN228CA1317[O], 3[C], 2[P], 1[N],
ASN228O514[O], 1[P],
ASN228ND21612[P], 6[C], 1[N], 7[O],
ASN228C1016[O], 2[P], 2[C],
SER229N1012[C], 2[P], 6[O],
SER229CB614[O], 2[P],
SER229CA614[O], 2[P],
SER229C212[O],
SER229OG916[O], 2[P], 1[C],
ASN230CG111[O],
ASN230CB212[O],
ASN230CA111[O],
ASN230OD1411[P], 3[O],
ASN230N413[O], 1[P],
ARG231NE111[O],
ARG231N111[O],
ARG231CG111[O],
ARG231CB111[O],
GLY268N111[O],
GLY268C511[C], 1[P], 3[O],
GLY268O412[O], 1[P], 1[C],
GLY268CA513[O], 1[P], 1[C],
ALA269N1013[C], 2[P], 5[O],
ALA269C1115[O], 2[P], 4[C],
ALA269CB1516[O], 2[P], 6[C], 1[N],
ALA269O914[O], 1[P], 4[C],
ALA269CA1215[O], 4[C], 2[P], 1[N],
SER270O511[C], 1[P], 3[O],
SER270CA1115[O], 2[P], 4[C],
SER270CB1512[P], 5[C], 1[N], 7[O],
SER270N1115[O], 2[P], 4[C],
SER270C712[C], 1[P], 4[O],
SER270OG1417[O], 1[N], 2[P], 4[C],
ALA271CB111[O],
ALA271CA111[O],
ALA271N513[O], 1[P], 1[C],
Total = 234



Download csv file of statistical distribution of contacts