Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVYIDPKHLELEDRVVAINRVTKVVKGGRRLRFAALVVVGDKNGHVGFGTGKAQEVPEAIRKAIEDAKKNLVEVPMVGSTIPHEVIGAFSGGRILMKPAVEGSGVAAGGPVRAVLELAGVADITSKSLGSNTPINVVRATVEGLKQLKRAEEVAELRGKSVEELIG 1PKP Chain:A ((4-148)) ---INPNKLELEERVVAVNRVAKVVKGGRRLRFSALVVVGDKNGHVGFGTGKAQEVPEAIRKAIEDAKKNLIEVPIVGTTIPHEVIGHFGAGEIILKPASEGTGVIAGGPARAVLELAGISDILSKSIGSNTPINMVRATFDGLKQLK------------------

General information: TITO was launched using: RESULT: Template: 1PKP.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 : 827 -78378 -94.77 -540.54 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.92 3D Compatibility (PKB) : -94.77 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_1PKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PKP-query.scw PDB file : Tito_Scwrl_1PKP.pdb: