Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNWKPLVSVITPSYNARDYIEDTVHSVLDQSHPH---WEMIIVDDCSTD--GTRDILQQYEKIDERIHVVYLEENSGAAVARNKALERA----QGRYVAFLDSDDKWKKDKLEKQLEFMMER-SCAFSFTGYSLMAQDGTPLD--KFIH---A-----PES-------------L-----TYDDALKNTIIGCLTVMIDREQT---GQIQMPN-IRTRQDLATWLSLLKKGFTAYGMNECLAEYRLVNNSISSNKWKAAKKTWFVYREIERLHFMKATWCFVQYAKNAVKKRL 4FIX Chain:A ((177-422)) --PGTANIAVGIPTFNRPADCVNALRELTADPLVDQVIGAVIVPDQGERKVRDHPDFPAAAARLGSRLSI-HDQPNLGGSGGYSRVMYEALKNTDCQQILFMDDDIRLEPDSILRVLAMHRFAKAPMLVGGQMLNLQEPSHLHIMGEVVDRSIFMWTAAPHAEYDHDFAEYPLNDNNSRSKLLHRRIDVDYNGWWTCMIPRQVAEELG-QP-LPLFIKWDDADYGLRAAEHGYPTVTLPGAAIWHMAWSDK-------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FIX.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 : 952 17255 18.13 84.58 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 18.13 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_4FIX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FIX-query.scw PDB file : Tito_Scwrl_4FIX.pdb: