Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKVLYITAHPHDEATSYSMATGKAFIESYKEANPNDEVVHIDLYKENIPHIDADVFSGWGKLQSGTGFEELSESEKAKVGRLGELSDQFASADKYVFVTPLWNFSFPPVMKAYLDSVAVAGKSFKYTEQGPVGLLTDKKAIHIQARGGYYSEGPAAEMEMGHRYIGIMMNFFGVPSFDGIFVEGHNAEPDKAQQIKEDAIARAKEAGKTF 3W77 Chain:B ((2-208)) -ATVLFVKANNRPAEQAVSVKLYEAFLANYKEAHPNDTVVELDLYKEELPYVGVDMING--TFKAGKGFD-LTEEEAKAVAVADKYLNQFLEADKVVFGFPLWNLTIPAVLHTYIDYLNRAGKTFKYTPEGPVGLIGDKKIALLNARGGVYSEGPAAEVEMAVKYVASMMGFFGATNMETVIIEGHNQFPDKAEEIIAAGLEEAAKVASKF

General information: TITO was launched using: RESULT: Template: 3W77.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 : 987 -100808 -102.14 -487.00 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -102.14 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_3W77.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W77-query.scw PDB file : Tito_Scwrl_3W77.pdb: