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

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 -118880 -120.45 -574.30 target 2D structure prediction score : 0.81 Monomeric hydrophicity matching model chain B : 0.93 3D Compatibility (PKB) : -120.45 2D Compatibility (Sec. Struct. Predict.) : 0.81 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.627

(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: