Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRFAINGYGEAQDVFEEI-DAHPR-EVGSGHVRVEIKAFSVNPYDVALRLGEMKEIRTLKFPYVPGNDGAGIVTEIGSDVTTVHVGDRVAVHA-VGGTYGEEVVLPSAKVAKIPDKMSWEEAAGMVTPGITAYNLINHLTEIQPTDTVMILGASGAVGSSLIQLLHEKGIRILTSASS-KNEEKVKKLGASAFAAYDKTNPGLQFA-----DQADLVIDATKGSIKGETGIQIMKPGGRYVALNDLPDLD---LRQKKEGFYE-SFVPR--KEYLDAEAFAGIIKAYQKGAFHVFISMNLSASLKHVIQAHQLVEG-HPPAGKIILSFEK 1YB5 Chain:A ((30-351)) MRAVRVFEFGGP-EVLKLRSDI-AVPIPKDHQVLIKVHACGVNPVETYIRSGTYSR--KPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVN-LSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQY--PLEKVAEAHENIIHGSGATGKMILLL--

General information: TITO was launched using: RESULT: Template: 1YB5.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 : 1785 -13254 -7.43 -43.31 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -7.43 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_1YB5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YB5-query.scw PDB file : Tito_Scwrl_1YB5.pdb: