Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEVRSLEKSFGSKQVLFGIDFQARPGRILGLVGKNGAGKTTIFHSILKFLEYQGEIGLDGQDIRQET--------YAR----IGYLPEERSLMPKLTVLEQVRYLATLKG-MDAKEVKEKLPQWMKRLKVKGKLTDKIKSLSKGNQQKIQLIITLIHEPDLIILDEPFSGLDPVNTELLKQVIFQEKERGATIIFSDHVMTNVEELCDDILMIRDGRVVLHG-PVQDVRNQYGKTRLFVSSERSKEELENLPHVKQVSLTKQGSWKLILEDESAGRELFPILTQGQYIATFDQQAPTIDEIFKLESGVEV 4P32 Chain:A ((3-230)) -LTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVV------GIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVK----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4P32.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 : 1128 -35410 -31.39 -165.47 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -31.39 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_4P32.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P32-query.scw PDB file : Tito_Scwrl_4P32.pdb: