Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNKYHLVGQIDLENLNKIIIPVTKNVFNSRISEIKRFPTGSCHFVYDAVLESWENLVFRIGYSDSNKAKIGWSVFWHGKLKEL--GIKIPALLYHDVSCIEYGKPFTVSERIRWDDIWN-AIDSLTDENLDLIAKEIAGIQNRISTLEPWRWFWEMTSYDDANLKGKWREFVLEKFEKAKMALSEGGIFDDSYIERVREALDRNSWY--LENVKGTMFFDDITSKNIIVDNSEFSWVVDFDTMTCWDRLYWLGLCNMAF---IYLE-REIYISYLIRYLGCSEDDISAMNLYTLLFCLDFMSEIGQKFNKEEAIIDYIKAERYKSIFERICNNIK 4DCA Chain:A ((25-296)) --------------LDAEIYEHLNK---QIKINELRYLSSGDDSDTFLC----NEQYVVKVPKRDSVRISQKRELELYRFLENCKLSYQIPAVVYQS-------DRFNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSI-EIDCSVSLFSD---ALVNKKD-KFLQDKKLLISILEKEQLLTDEMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIFRNNRLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAPEV--AERKAELNDVYWSIDQIIYGYE-----------------------------

General information: TITO was launched using: RESULT: Template: 4DCA.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 : 1100 -59102 -53.73 -224.72 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -53.73 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.268

(partial model without unconserved sides chains): PDB file : Tito_4DCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dca-query.scw PDB file : Tito_Scwrl_4DCA.pdb: