Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAVPHSSLNPVLIQLEQVSVHRDQRDILKKVDFALHENEIVTLIGPNGAGKSTLIKVLLGILKPSSGRVISNKKLKMAYVPQKFNPSHSLPLRVQDLL---DLEKC-SPALRQEIIQDTGIAKLQQSKVQQLSGGERQRVLLARALLRKPDILVLDEPMQGLDIQSEAELYEYVRSLPERYGCAILIVSHDLQWVMQGTQRVVCLNKHICCSGLPESIQQHPEYQAIFGTHRVFYQHHHDHCAHGDAAHPCPHNNRPHIHPEPEA 3J15 Chain:B ((365-531)) -----------------------------------IRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKV--EWDLTVAYKPQYIKAEYEGT--VYELLSKIDSSKLNSNFYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVF------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3J15.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 725 -25205 -34.76 -154.63 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -34.76 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.653

(partial model without unconserved sides chains): PDB file : Tito_3J15.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J15-query.scw PDB file : Tito_Scwrl_3J15.pdb: