RESEARCH FOR STRUCTURAL ALIGNMENT
TARGET AURKB_HUMAN (atomeDB@cbs.cnrs.fr)
AUTHOR Atome2 (http://atome.cbs.cnrs.fr/ATOME_V3/PK_HUMAN_I60_2019M5/AURKB_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=89.09;
# Template:4C2V;B;270(11-280);Experiment=X-ray;
# Alignment:HHSearch=100.00;Identity=80%;Tcoffee_Score=84;
# 3D:Tito_Score=-114.10;Qmean_Score=0.431;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:YJA_B_6;Weight=507.567;Procognate=None;BSite=C1_S1;BSiteConservation=50/57;Info=2-[5-[[7-[3-[ETHYL(2-HYDROXYETHYL)AMINO]PROPOXY]QUINAZOLIN-4-YL]AMINO]-1H-PYRAZOL-3-YL]-N-(3-FLUOROPHENYL)ETHANAMIDE;
>4C2V_B
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
---------------------------------------------------------------------RKFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPPVY-----

# Rank=2;Atome_Score=89.05;
# Template:2VGO;A;267(10-276);Experiment=X-ray;
# Alignment:PsiBlast=458;Identity=80%;Tcoffee_Score=84;
# 3D:Tito_Score=-112.71;Qmean_Score=0.432;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:AD5_A_5;Weight=393.491;Procognate=Base:Pfam,;Kegg:C00008;Score:0.22;BSite=C1_S1;BSiteConservation=34/38;Info=N~6~-CYCLOHEXYL-N~2~-(4-MORPHOLIN-4-YLPHENYL)-9H-PURINE-2,6-DIAMINE;
>2VGO_A
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
----------------------------------------------------------------------KFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=3;Atome_Score=88.75;
# Template:4AF3;A;253(18-286);Experiment=X-ray;
# Alignment:PsiBlast=602;Identity=99%;Tcoffee_Score=88;
# 3D:Tito_Score=-129.31;Qmean_Score=0.404;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AURKB_HUMAN;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:VX6_A_3;Weight=464.587;Procognate=None;BSite=C1_S1;BSiteConservation=46/46;Info=CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE;
>4AF3_A
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
---------------------------------------------------------------------RHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFG----------------LDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPTGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPS------

# Rank=4;Atome_Score=88.50;
# Template:4C2V;B;277(1-278);Experiment=X-ray;
# Alignment:PsiBlast=454;Identity=77%;Tcoffee_Score=82;
# 3D:Tito_Score=-113.45;Qmean_Score=0.423;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:YJA_B_6;Weight=507.567;Procognate=None;BSite=C1_S1;BSiteConservation=50/57;Info=2-[5-[[7-[3-[ETHYL(2-HYDROXYETHYL)AMINO]PROPOXY]QUINAZOLIN-4-YL]AMINO]-1H-PYRAZOL-3-YL]-N-(3-FLUOROPHENYL)ETHANAMIDE;
>4C2V_B
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
-----------------------------------------------------------QNTALAEMPKRKFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=5;Atome_Score=88.45;
# Template:2BFX;A;268(86-353);Experiment=X-ray;
# Alignment:PsiBlast=458;Identity=80%;Tcoffee_Score=84;
# 3D:Tito_Score=-112.11;Qmean_Score=0.420;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
>2BFX_A
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
---------------------------------------------------------------------RKFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=6;Atome_Score=88.32;
# Template:2VGP;B;267(9-276);Experiment=X-ray;
# Alignment:PsiBlast=454;Identity=80%;Tcoffee_Score=84;
# 3D:Tito_Score=-115.84;Qmean_Score=0.420;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:AD6_B_6;Weight=312.184;Procognate=Base:Pfam,;Kegg:C00017;Score:0.22;BSite=C1_S1;BSiteConservation=31/34;Info=4-[(5-BROMO-1,3-THIAZOL-2-YL)AMINO]-N-METHYLBENZAMIDE;
>2VGP_B
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
---------------------------------------------------------------------RKFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=7;Atome_Score=88.20;
# Template:4C2W;B;267(9-276);Experiment=X-ray;
# Alignment:PsiBlast=452;Identity=80%;Tcoffee_Score=84;
# 3D:Tito_Score=-115.31;Qmean_Score=0.410;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:ANP_B_6;Weight=506.199;Procognate=Procognate by similarity with ADN_B_2 from [1MUO];Score:0.80;BSite=C1_S1;BSiteConservation=32/36;Info=PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER;
>4C2W_B
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
---------------------------------------------------------------------RKFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=8;Atome_Score=88.13;
# Template:5EYK;B;267(6-273);Experiment=X-ray;
# Alignment:PsiBlast=449;Identity=80%;Tcoffee_Score=84;
# 3D:Tito_Score=-113.97;Qmean_Score=0.427;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:5U5_B_6;Weight=464.558;Procognate=None;BSite=C1_S1;BSiteConservation=46/52;Info=3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide;
>5EYK_B
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
---------------------------------------------------------------------RKFTIDDFDIVRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=9;Atome_Score=87.90;
# Template:2VGP;A;263(11-276);Experiment=X-ray;
# Alignment:PsiBlast=458;Identity=80%;Tcoffee_Score=84;
# 3D:Tito_Score=-116.50;Qmean_Score=0.430;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:AD6_A_5;Weight=312.184;Procognate=Base:Pfam,;Kegg:C00017;Score:0.22;BSite=C1_S1;BSiteConservation=28/32;Info=4-[(5-BROMO-1,3-THIAZOL-2-YL)AMINO]-N-METHYLBENZAMIDE;
>2VGP_A
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
-----------------------------------------------------------------------FTIDDFDIGRPLGKG---NVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=10;Atome_Score=87.90;
# Template:4B8M;A;267(11-277);Experiment=X-ray;
# Alignment:PsiBlast=459;Identity=77%;Tcoffee_Score=84;
# 3D:Tito_Score=-115.57;Qmean_Score=0.414;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:VX6_A_5;Weight=464.587;Procognate=None;BSite=C1_S1;BSiteConservation=42/46;Info=CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE;
>4B8M_A
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
----------------------------------------------------------------------KFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=11;Atome_Score=87.71;
# Template:3ZTX;A;267(10-276);Experiment=X-ray;
# Alignment:PsiBlast=458;Identity=80%;Tcoffee_Score=84;
# 3D:Tito_Score=-110.70;Qmean_Score=0.411;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:ZTX_A_5;Weight=430.508;Procognate=None;BSite=C1_S1;BSiteConservation=36/41;Info=2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE;
>3ZTX_A
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
----------------------------------------------------------------------KFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=12;Atome_Score=87.69;
# Template:4C2W;A;266(11-276);Experiment=X-ray;
# Alignment:PsiBlast=457;Identity=80%;Tcoffee_Score=84;
# 3D:Tito_Score=-110.57;Qmean_Score=0.421;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:ANP_A_5;Weight=506.199;Procognate=Procognate by similarity with ADN_B_2 from [1MUO];Score:0.64;BSite=C1_S1;BSiteConservation=41/45;Info=PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER;
>4C2W_A
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
-----------------------------------------------------------------------FTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=13;Atome_Score=87.59;
# Template:2BFY;A;268(9-276);Experiment=X-ray;
# Alignment:PsiBlast=455;Identity=79%;Tcoffee_Score=84;
# 3D:Tito_Score=-107.47;Qmean_Score=0.432;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:H1N_A_5;Weight=516.657;Procognate=Base:Cath,Pfam,;Kegg:C00017;Score:0.12;BSite=C1_S1;BSiteConservation=43/47;Info=N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE;
>2BFY_A
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
---------------------------------------------------------------------RKFTIDDFDIVRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=14;Atome_Score=87.54;
# Template:4C2V;A;267(12-278);Experiment=X-ray;
# Alignment:PsiBlast=458;Identity=77%;Tcoffee_Score=84;
# 3D:Tito_Score=-111.88;Qmean_Score=0.418;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:YJA_A_5;Weight=507.567;Procognate=None;BSite=C1_S1;BSiteConservation=52/59;Info=2-[5-[[7-[3-[ETHYL(2-HYDROXYETHYL)AMINO]PROPOXY]QUINAZOLIN-4-YL]AMINO]-1H-PYRAZOL-3-YL]-N-(3-FLUOROPHENYL)ETHANAMIDE;
>4C2V_A
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
----------------------------------------------------------------------KFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=15;Atome_Score=87.27;
# Template:2VRX;A;267(11-277);Experiment=X-ray;
# Alignment:PsiBlast=458;Identity=77%;Tcoffee_Score=84;
# 3D:Tito_Score=-112.23;Qmean_Score=0.412;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:447_A_5;Weight=513.595;Procognate=Base:Pfam,;Kegg:C00017;Score:0.14;BSite=C1_S1;BSiteConservation=48/54;Info=N-(4-{[6-METHOXY-7-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-4-YL]AMINO}PHENYL)BENZAMIDE;
>2VRX_A
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
----------------------------------------------------------------------KFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=16;Atome_Score=86.96;
# Template:4B8M;B;275(2-277);Experiment=X-ray;
# Alignment:PsiBlast=454;Identity=78%;Tcoffee_Score=80;
# 3D:Tito_Score=-116.77;Qmean_Score=0.407;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:VX6_B_6;Weight=464.587;Procognate=None;BSite=C1_S1;BSiteConservation=43/48;Info=CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE;
>4B8M_B
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
-------------------------------------------------------------TALAEMPKRKFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=17;Atome_Score=86.96;
# Template:5EYK;A;262(8-273);Experiment=X-ray;
# Alignment:PsiBlast=454;Identity=79%;Tcoffee_Score=81;
# 3D:Tito_Score=-118.13;Qmean_Score=0.433;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:5U5_A_5;Weight=464.558;Procognate=None;BSite=C1_S1;BSiteConservation=49/55;Info=3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide;
>5EYK_A
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
-----------------------------------------------------------------------FTIDDFDIVRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHA----RRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=18;Atome_Score=86.84;
# Template:2BFY;B;267(9-276);Experiment=X-ray;
# Alignment:PsiBlast=450;Identity=80%;Tcoffee_Score=84;
# 3D:Tito_Score=-107.85;Qmean_Score=0.403;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:H1N_B_6;Weight=516.657;Procognate=Base:Pfam,;Kegg:C00017;Score:0.12;BSite=C1_S1;BSiteConservation=43/48;Info=N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE;
>2BFY_B
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
---------------------------------------------------------------------RKFTIDDFDIVRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=19;Atome_Score=86.56;
# Template:2VRX;B;272(1-277);Experiment=X-ray;
# Alignment:PsiBlast=454;Identity=78%;Tcoffee_Score=82;
# 3D:Tito_Score=-113.23;Qmean_Score=0.410;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:447_B_6;Weight=513.595;Procognate=Base:Pfam,;Kegg:C00017;Score:0.14;BSite=C1_S1;BSiteConservation=49/54;Info=N-(4-{[6-METHOXY-7-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-4-YL]AMINO}PHENYL)BENZAMIDE;
>2VRX_B
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
------------------------------------------------------------NTALAEMPKRKFTIDDFDIGRPLG----GNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=20;Atome_Score=85.95;
# Template:2VGO;B;265(9-276);Experiment=X-ray;
# Alignment:PsiBlast=454;Identity=80%;Tcoffee_Score=84;
# 3D:Tito_Score=-109.94;Qmean_Score=0.396;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:AD5_B_6;Weight=393.491;Procognate=Base:Pfam,;Kegg:C00008;Score:0.22;BSite=C1_S1;BSiteConservation=38/42;Info=N~6~-CYCLOHEXYL-N~2~-(4-MORPHOLIN-4-YLPHENYL)-9H-PURINE-2,6-DIAMINE;
>2VGO_B
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
---------------------------------------------------------------------RKFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEK--VEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------

# Rank=21;Atome_Score=85.75;
# Template:3ZTX;B;262(9-276);Experiment=X-ray;
# Alignment:PsiBlast=454;Identity=80%;Tcoffee_Score=83;
# 3D:Tito_Score=-114.56;Qmean_Score=0.402;3D_Cluster_Num=1;Disulfide=0:;
# Annotation:Uniprot=AUKBA_XENLA;Cath=?;Smart=SM00220;Prosite=PS00108;Pfam=PF00069;EC=2.7.11.1;Taxonomy=HEbav;
# Ligand:ZTX_B_6;Weight=430.508;Procognate=None;BSite=C1_S1;BSiteConservation=37/41;Info=2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE;
>3ZTX_B
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
---------------------------------------------------------------------RKFTIDDFDIGRPLG-----NVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPP-------