Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTETIKLMKAHTSVRRFKEQEIPQVDLNEILTAAQMASSWKNFQSYSVIVVRSQEKKDALYELV-PQEAIRQSAVFLLFVGDLNRAEKGARLHTDTFQP--QGVEGLLISSVDAALAGQNALLAAESLGYGGVIIGLVRYKSEEVAELFNLPDYTYPVFGMALGVPNQTHDVKPRLPLDNVVFEEEYQ---EQSTEAIQAYDRVQADYAGARAT----TSWSQRLAEQFGQAEPSSTRKNLEQKKLL 5HDJ Chain:A ((2-227)) -NSVIETILNHRSIRKYEDKPLSEEQIQTIVESAQAASTSSYIQAYSIIGVKDKETKRKLAQLAGNQPYVETNGHFFVFCADFHRHDVIAEMEKKDLSTALESTEQFMVAIIDVALAAQNATLAAESMGLGACYIGGLRNELEEVSKLLKLPHHVIPLFGLTVGHPAGITDKKPRLPFKHVYHEETYEPNDEQTKKELTAYNEEISAYYNERTNGKRQDTWTGQMAE--------------------

General information: TITO was launched using: RESULT: Template: 5HDJ.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 : 851 -57421 -67.47 -265.84 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -67.47 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_5HDJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HDJ-query.scw PDB file : Tito_Scwrl_5HDJ.pdb: