RESEARCH FOR STRUCTURAL ALIGNMENT TARGET AKT2_HUMAN (atomeDB@cbs.cnrs.fr) AUTHOR Atome2 (http://atome.cbs.cnrs.fr/ATOME_V3/PK_HUMAN_I60_2019M5/AKT2_HUMAN/atome.html) AUTHOR Pons & Labesse - Nucleic Acids Research, 2009 Jul 1-37 METHOD Consensus of structural alignment (SA) research (Psiblast,Fugue,HHSearch,SP3) METHOD Evaluation by SA & 3D criteria. Annotation & ligands information # Rank=1;Atome_Score=91.04; # Template:6HHJ;A;410(3-444);Experiment=?; # Alignment:PsiBlast=796;Identity=83%;Tcoffee_Score=88; # 3D:Tito_Score=-62.14;Qmean_Score=0.449;3D_Cluster_Num=1;Disulfide=1:[60,77]; # Annotation:Uniprot=?;Cath=?;Smart=?;Prosite=?;Pfam=?;EC=?;Taxonomy=?; # Ligand:G4H_A_2;Weight=612.720;Procognate=None;BSite=C1_S1;BSiteConservation=67/72;Info=~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide; >6HHJ_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHS-RDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE --DVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQ--DQREAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKKQ--------------------------------RVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTA------------------------------------ # Rank=2;Atome_Score=86.96; # Template:6HHG;A;386(3-444);Experiment=?; # Alignment:PsiBlast=796;Identity=83%;Tcoffee_Score=89; # 3D:Tito_Score=-55.07;Qmean_Score=0.436;3D_Cluster_Num=1;Disulfide=1:[60,77]; # Annotation:Uniprot=?;Cath=?;Smart=?;Prosite=?;Pfam=?;EC=?;Taxonomy=?; # Ligand:G4T_A_2;Weight=635.154;Procognate=None;BSite=C1_S1;BSiteConservation=61/66;Info=~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide; >6HHG_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHS-RDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE --DVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQD----EAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKK---------------------------------RVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVI------------------SRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIK---TMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTA------------------------------------ # Rank=3;Atome_Score=86.93; # Template:6HHI;A;389(3-444);Experiment=?; # Alignment:PsiBlast=796;Identity=83%;Tcoffee_Score=88; # 3D:Tito_Score=-56.05;Qmean_Score=0.435;3D_Cluster_Num=1;Disulfide=1:[60,77]; # Annotation:Uniprot=?;Cath=?;Smart=?;Prosite=?;Pfam=?;EC=?;Taxonomy=?; # Ligand:G4N_A_2;Weight=585.695;Procognate=None;BSite=C1_S1;BSiteConservation=62/67;Info=~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide; >6HHI_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHS-RDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE --DVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQD---REAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKK---------------------------------RVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVI----------------QNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIK---TMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTA------------------------------------ # Rank=4;Atome_Score=85.32; # Template:3E88;A;321(1-335);Experiment=X-ray; # Alignment:PsiBlast=690;Identity=99%;Tcoffee_Score=90; # 3D:Tito_Score=-116.56;Qmean_Score=0.368;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:G96_A_5;Weight=465.554;Procognate=Base:Pfam,;Kegg:C00008;Score:0.2;BSite=C1_S1;BSiteConservation=55/55;Info=4-[2-(4-AMINO-2,5-DIHYDRO-1,2,5-OXADIAZOL-3-YL)-6-{[(2R)-2-AMINO-3-PHENYLPROPYL]OXY}-1-ETHYL-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL]-2-METHYLBUT-3-EN-2-OL; >3E88_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITIT--------------QRTHFPQFDYSASIR- # Rank=5;Atome_Score=85.04; # Template:6HHH;A;379(2-439);Experiment=?; # Alignment:PsiBlast=796;Identity=83%;Tcoffee_Score=86; # 3D:Tito_Score=-52.24;Qmean_Score=0.435;3D_Cluster_Num=1;Disulfide=1:[60,77]; # Annotation:Uniprot=?;Cath=?;Smart=?;Prosite=?;Pfam=?;EC=?;Taxonomy=?; # Ligand:G4Q_A_2;Weight=543.658;Procognate=None;BSite=C1_S1;BSiteConservation=55/60;Info=~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide; >6HHH_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHS-RDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE -SDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDV---EAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKK---------------------------------RVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEV--------------RVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEG-----------GTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFD----------------------------------------- # Rank=6;Atome_Score=84.51; # Template:3E8D;B;317(1-335);Experiment=X-ray; # Alignment:PsiBlast=681;Identity=99%;Tcoffee_Score=89; # 3D:Tito_Score=-117.34;Qmean_Score=0.356;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:G98_B_6;Weight=465.554;Procognate=Base:Pfam,;Kegg:C00008;Score:0.2;BSite=C1_S1;BSiteConservation=56/56;Info=4-[2-(4-AMINO-2,5-DIHYDRO-1,2,5-OXADIAZOL-3-YL)-6-{[(1S)-3-AMINO-1-PHENYLPROPYL]OXY}-1-ETHYL-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL]-2-METHYLBUT-3-EN-2-OL; >3E8D_B MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSI-----------------QRTHFPQFDYSASIR- # Rank=7;Atome_Score=84.51; # Template:3D0E;A;324(1-335);Experiment=X-ray; # Alignment:PsiBlast=690;Identity=99%;Tcoffee_Score=90; # 3D:Tito_Score=-117.39;Qmean_Score=0.350;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:G93_A_3;Weight=429.521;Procognate=Base:Pfam,;Kegg:C00008;Score:0.21;BSite=C1_S1;BSiteConservation=61/61;Info=4-{2-(4-AMINO-2,5-DIHYDRO-1,2,5-OXADIAZOL-3-YL)-1-ETHYL-7-[(3S)-PIPERIDIN-3-YLMETHOXY]-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL}-2-METHYLBUT-3-EN-2-OL; >3D0E_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPD-----------QRTHFPQFDYSASIR- # Rank=8;Atome_Score=84.29; # Template:1O6K;A;318(1-334);Experiment=X-ray; # Alignment:PsiBlast=694;Identity=99%;Tcoffee_Score=89; # 3D:Tito_Score=-114.87;Qmean_Score=0.359;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:ANP_A_3;Weight=506.199;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00008;Score:0.81;BSite=C1_S1;BSiteConservation=56/56;Info=PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER; >1O6K_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSIT----------------QRTHFPQFDYSASI-- # Rank=9;Atome_Score=84.20; # Template:4EJN;A;376(4-438);Experiment=X-ray; # Alignment:PsiBlast=796;Identity=83%;Tcoffee_Score=86; # 3D:Tito_Score=-63.16;Qmean_Score=0.404;3D_Cluster_Num=1;Disulfide=2:[60,77][297,311]; # Annotation:Uniprot=AKT1_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:0R4_A_2;Weight=571.612;Procognate=None;BSite=C1_S1;BSiteConservation=56/61;Info=N-(4-{5-[3-(ACETYLAMINO)PHENYL]-2-(2-AMINOPYRIDIN-3-YL)-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL}BENZYL)-3-FLUOROBENZAMIDE; # Ligand:EDO_A_4;Weight=62.068;Procognate=None;BSite=C1_S4;BSiteConservation=13/14;Info=1,2-ETHANEDIOL; # Ligand:SBT_A_3;Weight=74.122;Procognate=None;BSite=C1_S4;BSiteConservation=13/14;Info=2-BUTANOL; >4EJN_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHS-RDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE ---VAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERP-------APLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADG------------------------------------RVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIV-------------VLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIK-----KTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYF------------------------------------------ # Rank=10;Atome_Score=84.20; # Template:3E87;A;323(1-335);Experiment=X-ray; # Alignment:PsiBlast=690;Identity=99%;Tcoffee_Score=90; # 3D:Tito_Score=-113.10;Qmean_Score=0.351;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:G95_A_5;Weight=362.448;Procognate=Base:Pfam,;Kegg:C00017;Score:0.19;BSite=C1_S1;BSiteConservation=51/51;Info=N-[(1S)-2-AMINO-1-PHENYLETHYL]-5-(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)THIOPHENE-2-CARBOXAMIDE; >3E87_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPP------------QRTHFPQFDYSASIR- # Rank=11;Atome_Score=83.96; # Template:2JDO;A;313(6-340);Experiment=X-ray; # Alignment:PsiBlast=667;Identity=97%;Tcoffee_Score=90; # 3D:Tito_Score=-111.86;Qmean_Score=0.379;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:EDO_A_4;Weight=62.068;Procognate=Base:Scop,Pfam,;Kegg:C00017;Score:0.25;BSite=C1_S1;BSiteConservation=27/27;Info=1,2-ETHANEDIOL; # Ligand:I5S_A_3;Weight=419.925;Procognate=Base:Scop,Pfam,;Kegg:C00017;Score:0.22;BSite=C1_S1;BSiteConservation=49/49;Info=ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE; >2JDO_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTH-FPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSIT--------------------MFEDFDYIA---- # Rank=12;Atome_Score=83.29; # Template:3E8D;A;316(1-335);Experiment=X-ray; # Alignment:PsiBlast=690;Identity=99%;Tcoffee_Score=90; # 3D:Tito_Score=-118.19;Qmean_Score=0.339;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:G98_A_5;Weight=465.554;Procognate=Base:Pfam,;Kegg:C00008;Score:0.2;BSite=C1_S1;BSiteConservation=57/57;Info=4-[2-(4-AMINO-2,5-DIHYDRO-1,2,5-OXADIAZOL-3-YL)-6-{[(1S)-3-AMINO-1-PHENYLPROPYL]OXY}-1-ETHYL-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL]-2-METHYLBUT-3-EN-2-OL; >3E8D_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSIT-------------------HFPQFDYSASIR- # Rank=13;Atome_Score=82.92; # Template:1O6L;A;315(1-335);Experiment=X-ray; # Alignment:PsiBlast=667;Identity=97%;Tcoffee_Score=89; # 3D:Tito_Score=-117.35;Qmean_Score=0.348;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:ANP_A_3;Weight=506.199;Procognate=Base:Cath,Scop,Pfam,;Kegg:C00008;Score:0.81;BSite=C1_S1;BSiteConservation=56/56;Info=PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER; >1O6L_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTH---FPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSIT--------------------QEMFEDFDYIA---- # Rank=14;Atome_Score=82.57; # Template:2X39;A;315(6-340);Experiment=X-ray; # Alignment:PsiBlast=667;Identity=97%;Tcoffee_Score=89; # 3D:Tito_Score=-114.61;Qmean_Score=0.349;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:X39_A_3;Weight=384.867;Procognate=None;BSite=C1_S1;BSiteConservation=53/53;Info=4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE; >2X39_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTH---FPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSIT--------------------QEMFEDFDYIA---- # Rank=15;Atome_Score=82.48; # Template:2UW9;A;315(6-340);Experiment=X-ray; # Alignment:PsiBlast=667;Identity=97%;Tcoffee_Score=89; # 3D:Tito_Score=-112.89;Qmean_Score=0.353;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:GVP_A_3;Weight=337.851;Procognate=Base:Scop,Pfam,;Kegg:C00017;Score:0.17;BSite=C1_S1;BSiteConservation=47/47;Info=4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE; >2UW9_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTH---FPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSIT--------------------QEMFEDFDYIA---- # Rank=16;Atome_Score=82.46; # Template:3O96;A;367(5-432);Experiment=X-ray; # Alignment:PsiBlast=789;Identity=82%;Tcoffee_Score=87; # 3D:Tito_Score=-70.16;Qmean_Score=0.390;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT1_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:IQO_A_2;Weight=551.649;Procognate=None;BSite=C1_S1;BSiteConservation=54/60;Info=1-(1-(4-(7-PHENYL-1H-IMIDAZO[4,5-G]QUINOXALIN-6-YL)BENZYL)PIPERIDIN-4-YL)-1H-BENZO[D]IMIDAZOL-2(3H)-ONE; >3O96_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHS-RDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE -SDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDV---EAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTF---TPEEREEWTTAIQTVADGLKKQ---------------------------------VTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVA----------NRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKE--------------PEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQV--------------------------------------------------- # Rank=17;Atome_Score=82.43; # Template:2XH5;A;315(6-340);Experiment=X-ray; # Alignment:PsiBlast=667;Identity=97%;Tcoffee_Score=89; # 3D:Tito_Score=-117.81;Qmean_Score=0.345;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:X37_A_3;Weight=364.513;Procognate=None;BSite=C1_S1;BSiteConservation=55/55;Info=4-(4-TERT-BUTYLBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDIN-4-AMINIUM; >2XH5_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTH---FPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSIT--------------------QEMFEDFDYIA---- # Rank=18;Atome_Score=82.34; # Template:2JDR;A;315(6-340);Experiment=X-ray; # Alignment:PsiBlast=667;Identity=97%;Tcoffee_Score=89; # 3D:Tito_Score=-116.29;Qmean_Score=0.346;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT2_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:L20_A_3;Weight=397.479;Procognate=Base:Scop,Pfam,;Kegg:C00017;Score:0.11;BSite=C1_S1;BSiteConservation=57/57;Info=(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE; >2JDR_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTH---FPQFSYSASIRE -------------------------------------------------------------------------------------------------------------------------------------------------KVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSIT--------------------QEMFEDFDYIA---- # Rank=19;Atome_Score=81.98; # Template:5KCV;A;353(20-452);Experiment=X-ray; # Alignment:Fugue=81.00;Identity=88%;Tcoffee_Score=87; # 3D:Tito_Score=-66.09;Qmean_Score=0.394;3D_Cluster_Num=1;Disulfide=1:[60,77]; # Annotation:Uniprot=AKT1_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:6S1_A_2;Weight=432.520;Procognate=None;BSite=C1_S1;BSiteConservation=46/50;Info=3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine; >5KCV_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSR-DVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE -----IVKEGWLHKRGEYI-TWRPRYFLLKNDGTFIGYKERP-------APLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQ-----------------------------------------RVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKK-----------------VLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLC----------------PEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYF------------------------------------------ # Rank=20;Atome_Score=73.88; # Template:4GV1;A;329(3-337);Experiment=X-ray; # Alignment:PsiBlast=604;Identity=85%;Tcoffee_Score=85; # 3D:Tito_Score=-31.08;Qmean_Score=0.376;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT1_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:0XZ_A_2;Weight=428.921;Procognate=None;BSite=C1_S1;BSiteConservation=53/54;Info=4-AMINO-N-[(1S)-1-(4-CHLOROPHENYL)-3-HYDROXYPROPYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE; # Ligand:GOL_A_3;Weight=92.094;Procognate=None;BSite=C1_S13;BSiteConservation=14/16;Info=GLYCEROL; # Ligand:GOL_A_4;Weight=92.094;Procognate=None;BSite=C1_S1;BSiteConservation=26/29;Info=GLYCEROL; # Ligand:GOL_A_5;Weight=92.094;Procognate=None;BSite=C1_S1;BSiteConservation=17/17;Info=GLYCEROL; # Ligand:GOL_A_6;Weight=92.094;Procognate=None;BSite=C1_S1;BSiteConservation=21/21;Info=GLYCEROL; >4GV1_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHS-RDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE ------------------------------------------------------------------------------------------------------------------------------------------------SRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTAQMITITP-----SMECVDSERRPHFPQFDYSAS--- # Rank=21;Atome_Score=73.36; # Template:4GV1;A;328(5-337);Experiment=X-ray; # Alignment:HHSearch=100.00;Identity=86%;Tcoffee_Score=85; # 3D:Tito_Score=-31.82;Qmean_Score=0.365;3D_Cluster_Num=1;Disulfide=0:; # Annotation:Uniprot=AKT1_HUMAN;Cath=2.30.29.30;Smart=SM00220;Prosite=PS00108;Pfam=PF00433;EC=2.7.11.1;Taxonomy=HE--~; # Ligand:0XZ_A_2;Weight=428.921;Procognate=None;BSite=C1_S2;BSiteConservation=53/54;Info=4-AMINO-N-[(1S)-1-(4-CHLOROPHENYL)-3-HYDROXYPROPYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE; # Ligand:GOL_A_3;Weight=92.094;Procognate=None;BSite=C1_S2;BSiteConservation=14/16;Info=GLYCEROL; # Ligand:GOL_A_4;Weight=92.094;Procognate=None;BSite=C1_S2;BSiteConservation=26/29;Info=GLYCEROL; # Ligand:GOL_A_5;Weight=92.094;Procognate=None;BSite=C1_S1;BSiteConservation=17/17;Info=GLYCEROL; # Ligand:GOL_A_6;Weight=92.094;Procognate=None;BSite=C1_S2;BSiteConservation=21/21;Info=GLYCEROL; >4GV1_A MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHS-RDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE --------------------------------------------------------------------------------------------------------------------------------------------------VTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTAQMITITP-----SMECVDSERRPHFPQFDYSAS---