Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPETMNKTLISISKWGKATGILFIIMGAITALSGAFFFLIGAVPGVLQIISGIFLMRSA------REAGQMAE-----HNSGQSEDLMLENYAKFVKMQGIYLIVSIAVSILAIIAFFIFLMLGIADGLFSDTYSTY 2QKW Chain:B ((212-295)) -----------------------YFIKGRLTEKSDVYSF------GV--VLFEVLCARSAIVQSLPREMVNLAEWAVESHNNGQLEQIVDPNLADKIRPESLRKFGDTAVKCLAL-----------------------

General information: TITO was launched using: RESULT: Template: 2QKW.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 : 165 1857 11.25 25.43 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.58 3D Compatibility (PKB) : 11.25 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.173

(partial model without unconserved sides chains): PDB file : Tito_2QKW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QKW-query.scw PDB file : Tito_Scwrl_2QKW.pdb: