Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDATLIANDAKNIVQAHLDRLGEPKDNRLSEEAKQQKFAQIEAELKKRDAVLVAHYYCDPDVQELAEKTGGCVSDSLEMARFGRDHAASTLVVAGVKFMGETAKILSPEKTILMPTLEATCSLDLGCSVDEFTAFCDQHPDHTVVVYANTSAAVKARADWVVTSSCAVEIVEHLDSLGEKIIWAPDQHLGRYIQKKTGADMLLW--DGACIVHEEFRARGIANMKALYPDAAVLVHPESPESVVEIADAVGSTSQLIKAAQTLPHQRLIVATDRGIFYKMQQAVPVKILVEAPTAGEGATCRSCAHCPWMAMNELDGILEVLQKGDQEIHVDSALAERAKMPLDRMLAFSASLKR 5KTP Chain:A ((16-302)) ----------------------------------------------EERNAIILAHNYQLPEVQDIADFIG----DSLELARRATRVDADVIVFAGVDFMAETAKILNPDKVVLIPSREATCAMANMLKVEHILEAKRKYPNAPVVLYVNSTAEAKAYADVTVTSANAVEVVKKLDS--DVVIFGPDKNLAHYVAKMTGKKIIPVPSKGHCYVHQKFTLDDVERAKKLHPNAKLMIHPECIPEVQEKADIIASTGGMIKRA--CEWDEWVVFTEREMVYRLRKLYPQKKFYPA---------REDAFCIGMKAITLKNIYESLKDMKYKVEVPEEIARKARKAIERMLEM------

General information: TITO was launched using: RESULT: Template: 5KTP.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 : 1719 -90315 -52.54 -316.89 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -52.54 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_5KTP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KTP-query.scw PDB file : Tito_Scwrl_5KTP.pdb: