Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERTAIVIQDLSAAYQGKTVLKTINLTINPQKITGIIGPNGAGKSTFMKSLLELIPATTGKVTFSGQSVN------SVRKKIAYVEQRSELDLSFPI-DVLGVVLLGTYPSLRIGQRPGKKEKERARQALKKVGMEEYAKRQISELSGGQLQRVFIARALAQGAEWIFLDEPFVGIDALSERKIFDILQELKNSGKTILIVHHDLHKVEEYFDEVILLNK-QLIASGPVQEVFTSKNLQLAY-GEIIRHLVKGGEKK 4P31 Chain:A ((3-234)) -----LTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVL-QIRDDLSAEQR-----EDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVYL--------------

General information: TITO was launched using: RESULT: Template: 4P31.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 : 1175 -44591 -37.95 -199.96 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -37.95 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_4P31.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P31-query.scw PDB file : Tito_Scwrl_4P31.pdb: