Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIAKDMMVNDGIRARELRLIGSDGEQLGVKTKAEALNIAEQANLDLVLVAPGAKPPVARIMDYGKYRFEQQKKDREARKKQKVINVKEVRLSPTIDLNDFNTKLRNARKFLEKGDKVKASIRFKGRAITHKEIGQKVLNRLAEETADIATVEQKAKMDGRSMFLTLAPKNDSK 5LMP Chain:X ((2-169)) ----KEYLTNERIRAKQVRVVGPDGKQLGIMDTREALRLAQEMDLDLVLVGPNADPPVARIMDYSKWRYEQQMAEKEARKKAKRTEVKSIKFRVKIDEHDYQTKLGHIKRFLQEGHKVKVTIMFRGREVAHPELGERILNRVTEDLKDLAVVEMKPEMLGRDMNMLLAPVKV--

General information: TITO was launched using: RESULT: Template: 5LMP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 587 -67858 -115.60 -403.92 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain X : 0.85 3D Compatibility (PKB) : -115.60 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.606

(partial model without unconserved sides chains): PDB file : Tito_5LMP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LMP-query.scw PDB file : Tito_Scwrl_5LMP.pdb: