Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MVKYQYEFPLDKAGKAGAVKPYRGGKNDFVTPVSNLSGVAEILTNAALKATEAYSQLG-QDRLGAVLISKVKGW-AYADREG-TLFIEESDNNNVWTTTA-AVNVAAGVLTATDWVYLSKRYYRFRYVNGNLQQSEFVLYQSVGAGEMDVR-VNEKTPLQIDFAENQTHDGRLKVEARKTFDF----VFHENAESASE----GA-ALPVDGAAHLLVEVYGTAEMSEVKFWG-KSVSGQKLPIRGVKTDDATTASSTLGKAEAWAFDIKGFKEIIMEIISITGGTLSVKGTAVS 3SPE Chain:A ((7-286)) ANPSRLIVAIEIVEDEIPLTK---------VDGLKARIILIEDNTS---EVGTQRVLPGTLVSDKDGSQSLVYPLFEAPVSFFGKLGDSNGMRVWSTTTADIEEFDEAAMA-----KFKTRQFRIQLIEKPESPVIVKTADQQDYLNITFDKG---VYSDMYNADLYVGDVLVDSYSDDGVVSGLSPLYSPFSQFYVYHENIDLVRQMIYDTEMRVNPAAAAH-------TTAPGEIDFLTFLAVDGD--PYQGIQVLGPLDGGITLGKDGN---------------IYASGGTDG-------

General information: TITO was launched using: RESULT: Template: 3SPE.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 : 1056 -31313 -29.65 -137.34 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -29.65 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.173

(partial model without unconserved sides chains): PDB file : Tito_3SPE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SPE-query.scw PDB file : Tito_Scwrl_3SPE.pdb: