Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEVKDLVKTFGNYTAVDHVSFQIPDGKIMGLIGQNGAGKTTTFRLILDFLTQDQGEVLWNGHH-----LGEKDYDVIGYLPEERGLYPKVTIQDQLLYFAELRGK-SRKEIEPKIDFWMEKFQVKGKKTDKVKSLSKGNQQKVQLIATLIHEPKLIILDEPFSGLDPVNAELLKDGILELKKHGSCVIFSSHNMDNVEKICDHLIMLRNGKMVLNGKVHEIRESFGRTKLFLESGLSQQEVEEIEGVKKVILHEDNTLEITLEDPEAGKEIFTRATQFGYIPMFNQQPPTLEEIFKLKAGEIDA 4P33 Chain:A ((3-223)) -LTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDQPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEI-----------------------------------------------------------------------------------

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 : 1109 -2897 -2.61 -13.47 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -2.61 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.553

(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: