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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NDP_G_7(1PGO) / Model_13(1PGO/A) = [7.7] Download2204.3219.11MSKQQIGVVGMAVMGKNLALNIESRGYSVALFNRTGAKTTAVVEEHPDKNFKATYTIEEFVESIEKPRRILLMVKAGPATDATIQELLPHLDKGDILIDGGNTFFKDTMRRNEELANSGINFIGTGVSGGEEGALKGPSIMPGGQKEAYALVAPILEQISAKAEDGAPCVTYIGPNGAGHYVKMVHNGIEYGDMQLIAESYDLMKNILNLSVEEMADIFKEWNQGELDSYLIEITADILTRKDDEGTGKPVVDVILDAAGNKGTGKWTSQSALDLGVPLPLITESVFARYISAYKEERVQASKILSRTNDFEFTGDKKELVEKIREALYFSKIMSYAQGFAQLRVASKEFDWDLPFGEIAKIWRAGCIIRARFLQKITDAYDKNPEIENLLLDDYFVEITKKYQQSVRDVVALAVQAGVPVPTFSSAIAYFDSYRAERLPANIIQAQRDYFGAHTYERVDKEGIFHYSWYHEE
Complex: ATR_B_4(3FWN) / Model_27(3FWN/B) = [6.0] Download1380.6837.38MSKQQIGVVGMAVMGKNLALNIESRGYSVALFNRTGAKTTAVVEEHPDKNFKATYTIEEFVESIEKPRRILLMVKAGPATDATIQELLPHLDKGDILIDGGNTFFKDTMRRNEELANSGINFIGTGVSGGEEGALKGPSIMPGGQKEAYALVAPILEQISAKAEDGAPCVTYIGPNGAGHYVKMVHNGIEYGDMQLIAESYDLMKNILNLSVEEMADIFKEWNQGELDSYLIEITADILTRKDDEGTGKPVVDVILDAAGNKGTGKWTSQSALDLGVPLPLITESVFARYISAYKEERVQASKILSRTNDFEFTGDKKELVEKIREALYFSKIMSYAQGFAQLRVASKEFDWDLPFGEIAKIWRAGCIIRARFLQKITDAYDKNPEIENLLLDDYFVEITKKYQQSVRDVVALAVQAGVPVPTFSSAIAYFDSYRAERLPANIIQAQRDYFGAHTYERVDKEGIFHYSWYHEE
Complex: 6PG_A_3(2W90) / Model_10(2W90/A) = [4.4] Download663.6211.24MSKQQIGVVGMAVMGKNLALNIESRGYSVALFNRTGAKTTAVVEEHPDKNFKATYTIEEFVESIEKPRRILLMVKAGPATDATIQELLPHLDKGDILIDGGNTFFKDTMRRNEELANSGINFIGTGVSGGEEGALKGPSIMPGGQKEAYALVAPILEQISAKAEDGAPCVTYIGPNGAGHYVKMVHNGIEYGDMQLIAESYDLMKNILNLSVEEMADIFKEWNQGELDSYLIEITADILTRKDDEGTGKPVVDVILDAAGNKGTGKWTSQSALDLGVPLPLITESVFARYISAYKEERVQASKILSRTNDFEFTGDKKELVEKIREALYFSKIMSYAQGFAQLRVASKEFDWDLPFGEIAKIWRAGCIIRARFLQKITDAYDKNPEIENLLLDDYFVEITKKYQQSVRDVVALAVQAGVPVPTFSSAIAYFDSYRAERLPANIIQAQRDYFGAHTYERVDKEGIFHYSWYHEE
Complex: 6PG_B_5(3FWN) / Model_27(3FWN/B) = [4.4] Download856.1912.26MSKQQIGVVGMAVMGKNLALNIESRGYSVALFNRTGAKTTAVVEEHPDKNFKATYTIEEFVESIEKPRRILLMVKAGPATDATIQELLPHLDKGDILIDGGNTFFKDTMRRNEELANSGINFIGTGVSGGEEGALKGPSIMPGGQKEAYALVAPILEQISAKAEDGAPCVTYIGPNGAGHYVKMVHNGIEYGDMQLIAESYDLMKNILNLSVEEMADIFKEWNQGELDSYLIEITADILTRKDDEGTGKPVVDVILDAAGNKGTGKWTSQSALDLGVPLPLITESVFARYISAYKEERVQASKILSRTNDFEFTGDKKELVEKIREALYFSKIMSYAQGFAQLRVASKEFDWDLPFGEIAKIWRAGCIIRARFLQKITDAYDKNPEIENLLLDDYFVEITKKYQQSVRDVVALAVQAGVPVPTFSSAIAYFDSYRAERLPANIIQAQRDYFGAHTYERVDKEGIFHYSWYHEE
Complex: GLO_A_3(2ZYD) / Model_28(2ZYD/B) = [3.2] Download831.2511.24MSKQQIGVVGMAVMGKNLALNIESRGYSVALFNRTGAKTTAVVEEHPDKNFKATYTIEEFVESIEKPRRILLMVKAGPATDATIQELLPHLDKGDILIDGGNTFFKDTMRRNEELANSGINFIGTGVSGGEEGALKGPSIMPGGQKEAYALVAPILEQISAKAEDGAPCVTYIGPNGAGHYVKMVHNGIEYGDMQLIAESYDLMKNILNLSVEEMADIFKEWNQGELDSYLIEITADILTRKDDEGTGKPVVDVILDAAGNKGTGKWTSQSALDLGVPLPLITESVFARYISAYKEERVQASKILSRTNDFEFTGDKKELVEKIREALYFSKIMSYAQGFAQLRVASKEFDWDLPFGEIAKIWRAGCIIRARFLQKITDAYDKNPEIENLLLDDYFVEITKKYQQSVRDVVALAVQAGVPVPTFSSAIAYFDSYRAERLPANIIQAQRDYFGAHTYERVDKEGIFHYSWYHEE
Consensus
[pKd Mean = 5.14]		-1187
(s=562)		18
(s=10)		MSKQQIGVVGMAVMGKNLALNIESRGYSVALFNRTGAKTTAVVEEHPDKNFKATYTIEEFVESIEKPRRILLMVKAGPATDATIQELLPHLDKGDILIDGGNTFFKDTMRRNEELANSGINFIGTGVSGGEEGALKGPSIMPGGQKEAYALVAPILEQISAKAEDGAPCVTYIGPNGAGHYVKMVHNGIEYGDMQLIAESYDLMKNILNLSVEEMADIFKEWNQGELDSYLIEITADILTRKDDEGTGKPVVDVILDAAGNKGTGKWTSQSALDLGVPLPLITESVFARYISAYKEERVQASKILSRTNDFEFTGDKKELVEKIREALYFSKIMSYAQGFAQLRVASKEFDWDLPFGEIAKIWRAGCIIRARFLQKITDAYDKNPEIENLLLDDYFVEITKKYQQSVRDVVALAVQAGVPVPTFSSAIAYFDSYRAERLPANIIQAQRDYFGAHTYERVDKEGIFHYSWYHEE



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]
VAL9CG2251[N], 1[C],
VAL9CG12656[N], 13[C], 7[O],
MET11CG1053[C], 6[O], 1[P],
MET11SD252[O],
MET11CE151[O],
VAL13CG2957[O], 2[P],
VAL13CG1454[O],
MET14SD4251[N], 1[P], 19[O], 21[C],
MET14CE45522[C], 21[O], 1[P], 1[N],
MET14CG4151[N], 1[P], 19[O], 20[C],
PHE32CE2552[N], 2[C], 1[O],
PHE32CD2351[C], 2[N],
PHE32CG151[C],
PHE32CZ351[C], 2[N],
ASN33ND239514[O], 18[C], 2[P], 5[N],
ASN33OD13756[N], 2[P], 16[C], 13[O],
ASN33CG36517[C], 13[O], 4[N], 2[P],
ARG34NE44510[N], 2[P], 13[O], 19[C],
ARG34CG4152[P], 10[N], 11[O], 18[C],
ARG34CZ4753[P], 10[N], 19[C], 15[O],
ARG34CD4152[P], 10[N], 17[C], 12[O],
THR35OG12952[P], 5[N], 10[O], 12[C],
THR35CG21152[P], 1[C], 8[O],
LYS38CG16510[O], 4[C], 2[P],
LYS38NZ2456[C], 14[O], 3[P], 1[N],
LYS38CE2454[P], 14[O], 6[C],
LYS38CD2052[P], 6[C], 12[O],
THR39OG1252[O],
ILE57CG1151[C],
ILE57CD1251[N], 1[C],
LEU72CD2351[C], 2[N],
MET73CE1557[C], 6[O], 1[P], 1[N],
MET73CG451[P], 1[C], 2[O],
MET73SD653[O], 2[C], 1[P],
VAL74CG247514[O], 20[C], 3[P], 10[N],
VAL74CG14854[P], 10[N], 20[C], 14[O],
LYS75CG49519[C], 17[O], 4[P], 9[N],
LYS75NZ3554[P], 5[N], 14[O], 12[C],
LYS75CD4454[P], 7[N], 16[C], 17[O],
LYS75CE40516[C], 15[O], 5[N], 4[P],
PRO78CD451[C], 3[N],
PRO78CG453[N], 1[C],
THR80OG11458[C], 1[O], 5[N],
THR83CG21156[C], 5[N],
THR83OG12659[N], 3[O], 14[C],
GLU86CD754[C], 3[N],
GLU86OE2855[C], 3[N],
GLU86OE1853[N], 5[C],
GLU86CG552[C], 3[N],
ASN102OD15052[N], 27[C], 21[O],
ASN102ND260528[O], 28[C], 2[N], 2[P],
ASN102CG55527[C], 25[O], 2[N], 1[P],
VAL127CG12151[N], 13[C], 7[O],
VAL127CG2951[N], 4[O], 4[C],
SER128OG35515[O], 18[C], 2[N],
GLU131CG251[C], 1[O],
SER139OG151[O],
MET141SD353[O],
MET141CE1155[O], 6[C],
LYS183CD3352[N], 18[C], 13[O],
LYS183NZ5052[N], 27[C], 21[O],
LYS183CE4252[N], 22[C], 18[O],
LYS183CG2752[N], 12[O], 13[C],
HIS186ND12151[N], 10[O], 10[C],
HIS186CG21510[O], 10[C], 1[N],
HIS186CE127512[O], 14[C], 1[N],
HIS186NE233511[O], 20[C], 2[N],
HIS186CD230511[O], 17[C], 2[N],
ASN187ND25852[N], 2[P], 28[O], 26[C],
ASN187CG5452[P], 2[N], 25[O], 25[C],
ASN187OD15352[P], 2[N], 24[O], 25[C],
GLU190CD5251[N], 2[P], 27[O], 22[C],
GLU190CG41520[C], 18[O], 1[N], 2[P],
GLU190OE154526[O], 24[C], 2[P], 2[N],
GLU190OE252522[C], 27[O], 1[N], 2[P],
TYR191CE22152[P], 12[O], 7[C],
TYR191CD13052[P], 1[N], 10[C], 17[O],
TYR191CE138519[O], 16[C], 1[N], 2[P],
TYR191CG2157[C], 12[O], 2[P],
TYR191CD22052[P], 11[O], 7[C],
TYR191CZ3052[P], 1[N], 17[O], 10[C],
MET194CE1959[O], 8[C], 2[P],
MET194CG453[O], 1[C],
MET194SD2159[O], 10[C], 2[P],
ASN261OD11258[O], 2[C], 2[P],
ASN261ND21459[O], 3[C], 2[P],
ASN261CG15510[O], 3[C], 2[P],
LYS262NZ2954[P], 5[C], 20[O],
LYS262CD4354[P], 25[O], 14[C],
LYS262CG46525[O], 17[C], 3[P], 1[N],
LYS262CE3854[P], 11[C], 23[O],
THR264OG148523[O], 21[C], 2[N], 2[P],
THR264CG228513[C], 13[O], 1[N], 1[P],
ARG289CD1359[O], 2[C], 2[P],
ARG289CZ21512[O], 7[C], 2[P],
ARG289NE17511[O], 4[C], 2[P],
ARG289CG551[C], 4[O],
CYS367SG551[C], 4[O],
ILE368CG22951[N], 11[O], 17[C],
ILE368CD140515[O], 23[C], 2[N],
ILE368CG139521[C], 16[O], 2[N],
ILE369CG2555[O],
ILE369CG1252[O],
Total = 103



Download csv file of statistical distribution of contacts