Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTIDHVTKTFGDYKAVDGLDLDIPEQQMFGLLGANGAGKTTTFRMILGLLSITEGSISWKGR-----PVNYHISNKIGYLPEERGLYPKMKVRDQLVYLARLK---GMEKREAVKELGTWLERFNITDYENKKVEELSKGNQQKIQFISAVLHKPELLILDEPFSGLDPVNVELLKEAVISLKNSGVSILFSSHRMEHVEELCENLCILQKGKPVVQGKLKEIKRSFGKKNVTIHSDDDLRFLQSHEGILQWKETADGVKLQIANEDISQEIFAMLQGKGFIRKFELEEPSLHDIFIEKVGAVYE 4QC2 Chain:A ((4-236)) -LTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQRE--DRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVYLG----------------------------------------------------------------------

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 : 1144 -129542 -113.24 -575.74 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -113.24 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.492

(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: