Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAVPHSSLNPVLIQLEQVSVHRDQRDILKKVDFALHENEIVTLIGPNGAGKSTLIKVLLGILKPSSGRVI------------SNKKLKMAYVPQKFNPSHSLP--------LRVQDLLDLEKCSPALRQEIIQDTGIAKLQQSKVQQLSGGERQRVLLARALLRKPDILVLDEPMQGLDIQSEAELYEYVRSLPERYGCAILIVSHDLQWVMQGTQRVVCLNK-HICCSGLPESIQQHPEYQAIFGTHRVFYQHHHDHCAHGDAAHPCPHNNRPHIHPEPEA 4QC2 Chain:A ((16-234)) -------------------------RRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRA-NELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDS-GLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVY-------------------------------------

General information: TITO was launched using: RESULT: Template: 4QC2.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 : 925 -14107 -15.25 -71.24 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -15.25 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.589

(partial model without unconserved sides chains): PDB file : Tito_4QC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QC2-query.scw PDB file : Tito_Scwrl_4QC2.pdb: