Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQHVFIVGLGLIGASMALCIRQTNPELIVVGWDSQSKTREQAVEQQIVDYVASDFETGAEQADVILLAVPVRTTLAYLDVLERI-NLSDHVIITDVSSTKQQVVTSAEQ----KNLRFVGGHPMAGSHKSGIQAADAKLFENAYYIFTPLEKT-KKDVEKLQELFCGTKAKYVTLTAREHDRITGMLSHFPHILAAGLVNQAEQFNQEYPRAKQLAAGGFRDITRIASSDPVMWTDILLSNKQILLERLADWQQEMTQIAEWIMTENQSEIFSFFNRAKESRDQLPVHKQGAIPAFFDLFIDVPDEPGVIAEVTGLIGKAGVSLINLKIQETREDILGILQISFKNQQDLLQAKRIIMSNTSYHCWIK 3B1F Chain:A ((5-289)) EEKTIYIAGLGLIGASLALGIKRDHPHYKIVGYNRSDRSRDIALERGIVDEATADFKVFAALADVIILAVPIKKTIDFIKILADLDL-KEDVIITDAGSTKYEIVRAAEYYLKDKPVQFVGSHPMA----SGAVAANVNLFENAYYIFSPSCLTKPNTIPALQDLLSGLHARYVEIDAAEHDCVTSQISHFPHIIASSLMKQAGDFSESHEMTKHFAAGGFRDMTRIAESEPGMWTSILLTNQEAVLDRIENFKQRLDEVSNLIKARDENAIWAFFNQSRQIRKNM-----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3B1F.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 : 1287 -64645 -50.23 -235.07 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -50.23 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_3B1F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B1F-query.scw PDB file : Tito_Scwrl_3B1F.pdb: