Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSERGLLIVLSGPSGVGKGTVRKAIFESEDNDFQYSISMTTRKMREGEVEGVDYFFRSKEEFESMIEAGEMLEYAEYVGNYYGTPLSYVNKTLDEGKDVFLEIEVQGAKQVKEKVPDGVFIFLTPPDLAELKSRIVGRGTDADEVIEERMKVAKEEIEMMALYDYAVVNDEVPLAVERIKNIIASEHFRVDRVIGKYIKMLKEM 2J41 Chain:B ((5-204)) ---KGLLIVLSGPSGVGKGTVRKRIFEDPSTSYKYSISMTTRQMREGEVDGVDYFFKTRDAFEALIKDDQFIEYAEYVGNYYGTPVQYVKDTMDEGHDVFLEIEVEGAKQVRKKFPDALFIFLAPPS----------------------------EVEMMNLYDYVVVNDEVELAKNRIQCIVEAEHLKRERVEAKYRKMILE-

General information: TITO was launched using: RESULT: Template: 2J41.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 736 -81262 -110.41 -472.45 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -110.41 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_2J41.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2J41-query.scw PDB file : Tito_Scwrl_2J41.pdb: