Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEFLKEIIHNSWQEVLSSEFSKDYYLHLREFLKKEYA-SQKIHPDMYHIYEALELTPYEEVKVVILGQDPYHGENQAHGLSFSVQPG-VKIPPSLRNIYKELYDDLGIAPVQHGNLVSWAKQGVLLLNTVLTVREGQAYSHRGKGWERLTDTIIEKLNEREKPIVFILWGKPAQEKIKMIDKSRHIIITSPHPSPLSASRGFFGSKPFSKTNDALLALGEEPIDWQLPETV 4WPK Chain:A ((16-237)) --PLSELVERGWAAALEPVA--DQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFT-FPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRL----

General information: TITO was launched using: RESULT: Template: 4WPK.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 : 1143 -1602 -1.40 -7.28 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -1.40 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.565

(partial model without unconserved sides chains): PDB file : Tito_4WPK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WPK-query.scw PDB file : Tito_Scwrl_4WPK.pdb: