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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: GDP_A_2(2DBY) / Model_85(2DBY/A) = [8.0] Download776.6818.21MVFMGFNCGIVGLPNVGKSTLFNALTKAAIAAENFPFCTIEPNTGIVPVPDPRLDKLAAIVNPQRVLPTTMEFVDIAGLVAGASKGEGLGNQFLANIRETDAIAHVVRCFEDENVIHVNGKIDPLDDIATINTELALADLETVAKAILRLTKVAKGGDKEAVATKAVLEKIQPLLDEGKPARAADLSDDERKLIRGFGLMTLKPTMYIANVAEDGFENNPHLEAVKKLAAEENAIVVPLCNQIEAEISLLEDEDRAEFLEAMGMEEPGLNVVIRAGYKLLGLQTYFTAGVQEVRAWTLKVGATAPQAAGVIHTDFEKGFIRAEVVAYDDFVQYNGENGAKEAGKWRLEGKTYVVQDGDVMHFRFNV
Complex: ANP_B_9(5EE3) / Model_22(5EE3/B) = [6.7] Download1612.0116.08MVFMGFNCGIVGLPNVGKSTLFNALTKAAIAAENFPFCTIEPNTGIVPVPDPRLDKLAAIVNPQRVLPTTMEFVDIAGLVAGASKGEGLGNQFLANIRETDAIAHVVRCFEDENVIHVNGKIDPLDDIATINTELALADLETVAKAILRLTKVAKGGDKEAVATKAVLEKIQPLLDEGKPARAADLSDDERKLIRGFGLMTLKPTMYIANVAEDGFENNPHLEAVKKLAAEENAIVVPLCNQIEAEISLLEDEDRAEFLEAMGMEEPGLNVVIRAGYKLLGLQTYFTAGVQEVRAWTLKVGATAPQAAGVIHTDFEKGFIRAEVVAYDDFVQYNGENGAKEAGKWRLEGKTYVVQDGDVMHFRFNV
Complex: GNP_A_3(5EE9) / Model_6(5EE9/A) = [5.8] Download1129.0718.52MVFMGFNCGIVGLPNVGKSTLFNALTKAAIAAENFPFCTIEPNTGIVPVPDPRLDKLAAIVNPQRVLPTTMEFVDIAGLVAGASKGEGLGNQFLANIRETDAIAHVVRCFEDENVIHVNGKIDPLDDIATINTELALADLETVAKAILRLTKVAKGGDKEAVATKAVLEKIQPLLDEGKPARAADLSDDERKLIRGFGLMTLKPTMYIANVAEDGFENNPHLEAVKKLAAEENAIVVPLCNQIEAEISLLEDEDRAEFLEAMGMEEPGLNVVIRAGYKLLGLQTYFTAGVQEVRAWTLKVGATAPQAAGVIHTDFEKGFIRAEVVAYDDFVQYNGENGAKEAGKWRLEGKTYVVQDGDVMHFRFNV
Consensus
[pKd Mean = 6.83]		-1172
(s=342)		17
(s=1)		MVFMGFNCGIVGLPNVGKSTLFNALTKAAIAAENFPFCTIEPNTGIVPVPDPRLDKLAAIVNPQRVLPTTMEFVDIAGLVAGASKGEGLGNQFLANIRETDAIAHVVRCFEDENVIHVNGKIDPLDDIATINTELALADLETVAKAILRLTKVAKGGDKEAVATKAVLEKIQPLLDEGKPARAADLSDDERKLIRGFGLMTLKPTMYIANVAEDGFENNPHLEAVKKLAAEENAIVVPLCNQIEAEISLLEDEDRAEFLEAMGMEEPGLNVVIRAGYKLLGLQTYFTAGVQEVRAWTLKVGATAPQAAGVIHTDFEKGFIRAEVVAYDDFVQYNGENGAKEAGKWRLEGKTYVVQDGDVMHFRFNV



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]
ILE10CD1131[O],
ILE10CB131[O],
ILE10CG2634[O], 2[P],
ILE10O333[O],
VAL11O232[O],
VAL11C333[O],
GLY12O2132[N], 14[O], 5[P],
GLY12CA932[P], 7[O],
GLY12N631[P], 5[O],
GLY12C17310[O], 2[N], 5[P],
LEU13N1236[O], 1[N], 5[P],
LEU13C2335[P], 2[N], 16[O],
LEU13CB636[O],
LEU13CA1435[P], 2[N], 7[O],
LEU13O2837[P], 2[N], 19[O],
PRO14CD1835[P], 11[O], 2[N],
PRO14N2335[P], 16[O], 2[N],
PRO14CB2536[P], 2[N], 17[O],
PRO14C44326[O], 3[N], 8[P], 7[C],
PRO14CA3232[C], 8[P], 2[N], 20[O],
PRO14CG1835[P], 2[N], 11[O],
PRO14O40323[O], 3[N], 8[P], 6[C],
ASN15CA68320[C], 8[P], 8[N], 32[O],
ASN15CG6438[P], 17[C], 32[O], 7[N],
ASN15OD162317[C], 8[P], 7[N], 30[O],
ASN15ND259326[O], 7[N], 8[P], 18[C],
ASN15N5338[P], 13[C], 28[O], 4[N],
ASN15CB6636[N], 33[O], 19[C], 8[P],
ASN15O75324[C], 8[P], 12[N], 31[O],
ASN15C74324[C], 8[P], 10[N], 32[O],
VAL16CB48323[O], 7[N], 8[P], 10[C],
VAL16CG12833[C], 6[P], 4[N], 15[O],
VAL16O7336[P], 28[C], 24[O], 15[N],
VAL16CG24035[N], 22[O], 5[C], 8[P],
VAL16N69322[C], 8[P], 10[N], 29[O],
VAL16C76328[C], 8[P], 13[N], 27[O],
VAL16CA68326[O], 10[N], 8[P], 24[C],
GLY17CA82314[N], 31[O], 29[C], 8[P],
GLY17O64322[C], 6[P], 9[N], 27[O],
GLY17N8038[P], 28[C], 31[O], 13[N],
GLY17C69329[O], 8[N], 8[P], 24[C],
LYS18CB3833[C], 8[P], 2[N], 25[O],
LYS18C4138[P], 5[C], 24[O], 4[N],
LYS18CD2937[P], 20[O], 2[N],
LYS18CE3037[P], 2[N], 21[O],
LYS18CG3332[N], 23[O], 8[P],
LYS18NZ2736[P], 1[C], 18[O], 2[N],
LYS18O3432[N], 22[O], 2[C], 8[P],
LYS18N6238[P], 17[C], 29[O], 8[N],
LYS18CA4238[P], 6[C], 24[O], 4[N],
SER19CA4038[P], 5[C], 25[O], 2[N],
SER19OG4733[N], 28[O], 8[C], 8[P],
SER19C4034[N], 21[O], 7[C], 8[P],
SER19O27319[O], 1[N], 6[P], 1[C],
SER19N4638[C], 8[P], 4[N], 26[O],
SER19CB4136[C], 8[P], 2[N], 25[O],
THR20CA56320[C], 6[P], 7[N], 23[O],
THR20N59317[C], 8[P], 8[N], 26[O],
THR20CG266328[C], 3[P], 11[N], 24[O],
THR20CB73311[N], 28[O], 6[P], 28[C],
THR20C3336[P], 6[C], 17[O], 4[N],
THR20OG17936[P], 29[C], 30[O], 14[N],
THR20O1438[O], 1[N], 2[C], 3[P],
LEU21C434[O],
LEU21CB1131[N], 8[O], 1[P], 1[C],
LEU21CA1031[N], 6[O], 2[P], 1[C],
LEU21N34319[O], 4[N], 5[C], 6[P],
PHE22CD1131[O],
PHE22CB535[O],
PHE22N837[O], 1[P],
PHE22CA333[O],
ASN23ND215310[O], 3[P], 2[C],
ASN23OD1434[O],
ASN23N333[O],
ASN23CG534[O], 1[P],
ASN23CB333[O],
ASP75OD121314[O], 2[N], 5[P],
ASP75O131[O],
ASP75OD218311[O], 2[N], 5[P],
ASP75CB434[O],
ASP75CG1238[O], 4[P],
ASP75C232[O],
ASP75CA232[O],
ILE76CB131[O],
ILE76C1131[N], 7[O], 3[P],
ILE76CA434[O],
ILE76N333[O],
ILE76O1032[P], 7[O], 1[N],
ALA77CA1634[P], 2[N], 10[O],
ALA77O1433[P], 2[N], 9[O],
ALA77N15310[O], 2[N], 3[P],
ALA77CB1734[P], 11[O], 2[N],
ALA77C1534[P], 9[O], 2[N],
GLY78C835[O], 1[N], 2[P],
GLY78N1533[P], 10[O], 2[N],
GLY78O634[O], 1[N], 1[P],
GLY78CA1331[N], 9[O], 3[P],
LEU79C131[O],
LEU79CA231[P], 1[O],
LEU79O131[O],
LEU79N731[N], 5[O], 1[P],
LEU79CB131[O],
VAL80CG2331[P], 2[O],
VAL80CB232[O],
VAL80N131[O],
ALA81O131[O],
ALA81CB131[O],
ALA81C131[O],
ALA81N433[O], 1[P],
ALA81CA331[P], 2[O],
LEU89CD1131[O],
PHE93CD2331[P], 2[O],
PHE93CE2534[O], 1[P],
PHE93CZ232[O],
PHE93CE1131[O],
VAL106O333[O],
VAL106C333[O],
VAL106CB433[O], 1[P],
VAL106CG11639[O], 3[N], 3[P], 1[C],
VAL106CG2333[O],
VAL106CA131[O],
VAL107O331[O], 2[N],
ARG108NE45310[N], 14[O], 2[P], 19[C],
ARG108CA532[C], 1[O], 2[N],
ARG108CZ4239[N], 16[O], 2[P], 15[C],
ARG108CD23311[C], 8[N], 4[O],
ARG108CG27315[C], 3[O], 9[N],
ARG108CB733[C], 2[N], 2[O],
CYS109N533[C], 1[N], 1[O],
CYS109C533[N], 1[O], 1[C],
CYS109O332[N], 1[C],
PHE110CZ6332[P], 29[C], 15[N], 17[O],
PHE110O2132[O], 9[N], 10[C],
PHE110CE255311[O], 15[N], 29[C],
PHE110CA23311[C], 2[O], 10[N],
PHE110CE152326[C], 15[N], 11[O],
PHE110N1737[N], 2[O], 8[C],
PHE110CD244315[N], 7[O], 22[C],
PHE110C1939[N], 1[O], 9[C],
PHE110CB30314[C], 14[N], 2[O],
PHE110CG39319[C], 5[O], 15[N],
PHE110CD141322[C], 4[O], 15[N],
GLU111N1538[N], 7[C],
GLU111CA933[C], 6[N],
GLU111C1839[N], 1[O], 8[C],
GLU111O25310[N], 1[O], 14[C],
GLU111CB131[N],
ASP112CB19310[C], 7[N], 2[O],
ASP112CA1336[C], 1[O], 6[N],
ASP112C733[C], 3[N], 1[O],
ASP112CG23312[C], 4[O], 7[N],
ASP112OD223312[C], 5[O], 6[N],
ASP112N1035[N], 1[O], 4[C],
ASP112OD11839[C], 6[N], 3[O],
ASP112O131[N],
GLU113N431[O], 1[N], 2[C],
GLU113OE2131[O],
GLU113CB131[O],
GLU113C131[O],
GLU113CD131[O],
GLU113CA131[O],
GLU113O131[O],
GLU113CG131[O],
GLU113OE1131[O],
ALA209C231[O], 1[N],
ALA209O231[O], 1[N],
ASN210CG40318[C], 7[O], 15[N],
ASN210CB28315[C], 11[N], 2[O],
ASN210C2432[O], 10[N], 12[C],
ASN210O24312[C], 2[O], 10[N],
ASN210OD136315[N], 4[O], 17[C],
ASN210CA19310[C], 7[N], 2[O],
ASN210N833[C], 2[O], 3[N],
ASN210ND263326[C], 4[P], 15[N], 18[O],
VAL211O28313[C], 2[O], 13[N],
VAL211CG2732[C], 3[N], 2[O],
VAL211CA2332[O], 9[N], 12[C],
VAL211C27312[N], 2[O], 13[C],
VAL211CB932[O], 3[N], 4[C],
VAL211CG1431[C], 2[N], 1[O],
VAL211N26313[C], 11[N], 2[O],
ALA212N23310[C], 2[O], 11[N],
ALA212CA22310[C], 10[N], 2[O],
ALA212CB20310[C], 8[N], 2[O],
ALA212C1832[O], 7[N], 9[C],
ALA212O1135[C], 2[O], 4[N],
GLU213CB934[C], 4[N], 1[O],
GLU213OE2232[N],
GLU213CD532[N], 1[O], 2[C],
GLU213CA934[C], 4[N], 1[O],
GLU213N1837[N], 2[O], 9[C],
GLU213C433[N], 1[O],
GLU213CG532[C], 1[O], 2[N],
GLU213OE1532[C], 1[O], 2[N],
ASP214N333[N],
PHE216CB131[N],
LEU239CD1532[C], 1[O], 2[N],
LEU239CB231[N], 1[O],
LEU239O1235[C], 2[O], 5[N],
LEU239C1032[O], 4[N], 4[C],
LEU239CG231[N], 1[O],
LEU239N231[N], 1[O],
LEU239CA231[O], 1[N],
LEU239CD2131[O],
CYS240SG25312[C], 11[N], 2[O],
CYS240C25311[N], 2[O], 12[C],
CYS240CA21311[C], 8[N], 2[O],
CYS240O1532[O], 5[N], 8[C],
CYS240CB1932[O], 8[N], 9[C],
CYS240N1134[C], 5[N], 2[O],
ASN241O26313[C], 11[N], 2[O],
ASN241CB49311[O], 13[N], 3[P], 22[C],
ASN241OD12639[N], 5[O], 12[C],
ASN241CA32317[C], 4[O], 11[N],
ASN241CG48313[N], 12[O], 20[C], 3[P],
ASN241ND263313[N], 21[O], 6[P], 23[C],
ASN241C35319[C], 4[O], 12[N],
ASN241N29315[C], 2[O], 12[N],
GLN242CA38314[N], 4[O], 20[C],
GLN242CD43321[C], 7[O], 15[N],
GLN242N41320[C], 15[N], 6[O],
GLN242OE14431[P], 21[C], 14[N], 8[O],
GLN242CG42322[C], 5[O], 15[N],
GLN242CB4135[O], 15[N], 21[C],
GLN242O1832[O], 7[N], 9[C],
GLN242NE235318[C], 13[N], 4[O],
GLN242C26312[C], 3[O], 11[N],
ILE243CG1934[C], 1[O], 4[N],
ILE243CD1731[O], 4[N], 2[C],
ILE243CA934[C], 4[N], 1[O],
ILE243CG2131[O],
ILE243N22310[C], 10[N], 2[O],
ILE243C331[O], 1[N], 1[C],
ILE243CB733[C], 3[N], 1[O],
GLU244CB131[O],
GLU244N532[C], 2[N], 1[O],
GLU244CG131[O],
GLU244CA131[O],
ALA245N131[O],
ALA245CB232[N],
GLU246OE2432[C], 2[N],
Total = 241



Download csv file of statistical distribution of contacts