Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFNLLTAEKIKVWKSRKMWVSLGLMVVLPLFYSWNEWYMHTKYGNELNQATDTVINGATGILMVEKMAAWILLAFAAFACFYIGEEFQNGTIRNTLSLGRNRMTYYVSKLLVTLLITTLGVVLITGLAMIAYTLAFGFGEVEGIKNYGNYVLKVFPVLL-------------LLILATLSVPVALTFITRSTSVSLLLSFLYIMGTAFVPGVFAKIKGLEFLTEWFTETWLMYTDFAQQATYSQAPKMILVSLVTIVVSSALGMFIFQKSDIK 3USG Chain:A ((243-336)) -------------------------------------------------------------------------------------------------------------------------VWIAAVGQIFFTLSLGFG---AIITYASYVRKDQDIVLSGLTAATLNEKAEVILGGSISIPAAVAFFGVANAVAIAKAGAFNLGFITLPAIFSQTAG-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3USG.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 : 116 -24769 -213.52 -305.78 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -213.52 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.045

(partial model without unconserved sides chains): PDB file : Tito_3USG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3USG-query.scw PDB file : Tito_Scwrl_3USG.pdb: