Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASILLIGFMGAGKTTIGKGLAQCLQKEYVDLDTKIEEHIQLSIAEYFHYYGEKSFRKVESDILRKLSN-EDKIIATGGGIVQSAENRRFLKTQPIVLYLEAEADCLVDRIQQDETSIRPLALGK----TREEIKALLAQRLSWYEESATHRINTTNQTPEKIIDTIIERIKSI 3VAA Chain:A ((25-194)) MVRIFLTGYMGAGKTTLGKAFARKLNVPFIDLDWYIEERFHKTVGELFTERGEAGFRELERNMLHEVAEFENVVISTGGGAPCFYDNMEFMNRTGKTVFLNVHPDVLFRRLRIAK-QQRPILQGKEDDELMDFIIQALEKRAPFYTQ-AQYIFNADELEDRWQIESSVQRLQ--

General information: TITO was launched using: RESULT: Template: 3VAA.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 : 750 -26881 -35.84 -162.92 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -35.84 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.700

(partial model without unconserved sides chains): PDB file : Tito_3VAA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VAA-query.scw PDB file : Tito_Scwrl_3VAA.pdb: