Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKLEQVSKVYKGGKKAVNSIDLDIAKGEFICFIGPSGCGKTTTMKMINRLIEPSSGRIFIDGENI-MEQDPVELRRKIGYVIQQIGLFPHMTIQQNISLVPKLLK-WPEEKRKERARELLKLVDMGPEYL-DRYPHELSGGQQQRIGVLRALAAEPPLILMDEPFGALDPITRDSLQEEFKKLQRTLNKTIVFVTHDMDEAIKLADRIVILKAGEIVQVGTPDEILRNPANEFVEEFIGKERLIQSRPDIERVEQMMNRTPVTVSADKTLSQAIQLMREKRVDSLLVVDRQNVLKGYVDVEMIDQNRKKASIVGDVYRSDIYTVQKGALLRDTVRKILKQGIKYVPVVDEQNHLAGIVTRASLVDIVYDSIWGDEENQLMTI 4P32 Chain:A ((3-226)) -LTAKNLAKAYKG-RRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELME--EFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHL-RDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQD----------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 1174 -45839 -39.04 -207.41 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -39.04 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.508

(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: