Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAVPHSSLNPVLIQLEQVSVHRDQRDILKKVDFALHENEIVTLIGPNGAGKSTLIKVLLGILKPSSGRVI------------SNKKLKMAYVPQKFNPSHSLP--------LRVQDLLDLEKCSPALRQEIIQDTGIAKLQQSKVQQLSGGERQRVLLARALLRKPDILVLDEPMQGLDIQSEAELYEYVRSLPERYGCAILIVSHDLQWVMQGTQRVVCLNK-HICCSGLPESIQQHPEYQAIFGTHRVFYQHHHDHCAHGDAAHPCPHNNRPHIHPEPEA 4P33 Chain:A ((15-233)) -------------------------RRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRA-NELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDQPFAGVDPISVIDIKRIIEHLRDS-GLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVY-------------------------------------

General information: TITO was launched using: RESULT: Template: 4P33.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 : 946 -17664 -18.67 -89.21 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -18.67 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_4P33.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P33-query.scw PDB file : Tito_Scwrl_4P33.pdb: