Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQNPAAQAGDKVPNMSNARRGETSDDYARHKAAASRAFLENHYQSLLANTRNGVGRAVGPRQKEPSFSDFHLFKCIGRGAFGEVFVCKYKSDKTDTLYALKRLRKSDMITKKQVVHVRSEKDVLAEAAASNPWVVHLYRSFQDSLYLYMVMEYMPGGDMISWLCDKGIFDV--ESTRFYIAELCAAVASVHDMGFVHRDIKPDNILFGESGHIKLSDFGLSKRFVEKRGNLLDYDDPSSSSNGAEASADEKSAYESRTDAPSGSPSGDGAGTGIAHGRVREMFQSIVGSPGYIAPEILLRKP----YGVGCDWWSVGVIMYEMLYGIPPFFSQNPNSTCHKIKNWREHLVFPPQRHIPDDAVDFMKRLICEPEKRM---TYDEICHHDFLK--PMDMNGLLKLQAPYVPALSNRLDTKYFPEIKEPSAPMQQSEEQKVREVDPRGVMFADFRFNYSGDQAGPASA 5BML Chain:A ((54-378)) ---------------------------------------------NFLSRYKDTINKIRDLRMKA---EDYEVVKVIGRGAFGEVQLVRHKS--TRKVYAMKLLSKFEMIKRSDSAFFWEERDIMA--FANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSN---YDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDKSGHLKLADFGTCMKMNKE-------------------------------------------------GMVR--CDTAVGTPDYISPEVLKSQGGDGYYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPD--DISKEAKNLICAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDLSSDIDTSNFDDLEE----------------------------------------

General information: TITO was launched using: RESULT: Template: 5BML.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1443 -75961 -52.64 -247.43 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -52.64 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_5BML.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BML-query.scw PDB file : Tito_Scwrl_5BML.pdb: