Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALLEVKQLTKHFGGLTAVGDVTLELNEGELVGLIGPNGAGKTTLFNLLTGVYEPSEGTVTLDGHLLNGKSPYKIASLGLGRTFQNIRLFKDLTVLDNVLIAFGNHHKQHVFTSFLRLPAFYKSEKELKAKALELLKIFDLDGDAETLAKNLSYGQQRRLEIVRALATEPKILFLDEPAAGMNPQETAELTELIRRIKDEFKITIMLIEHDMNLVMEVTERIYVLEYGRLIAQGTPDEIKTNKRVIEAYLGGEA 4P33 Chain:B ((1-235)) -ATLTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLM-------------AVLQIRDDLSAEQR-EDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDQPFAGVDPISVIDIKRIIEHLRDS-GLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVYLG---

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 B - contact count / total energy / energy per contact / energy per residue : 1218 -143723 -118.00 -611.59 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -118.00 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.636

(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: