Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIILLGPPGAGKGTQAQLICKRYNIPQISTGDMLRAAIREGTELGLKAKSVMESGGLVSDELIIGLVKERIAQPDCVNGCIFDGFPRTIPQAEALEKE----GISIDHVIEIDVPDEEIVKRLSGRRQHPASGRVYHVVYNPPKVEGKDDETGEDLVQRPDDQEETIRKRLASYHTETEQLVGFYQGRAASGENAPTYDKLDGLRTIEDVQKDLFNILDK 3DKV Chain:A ((1-212)) MNIVLMGLPGAGKGTQAERIVEKYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVRERLSKSDCERGFLLDGFPRTVAQAEALEEILEEMGRPIDYVINIQVDKEELMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVTKRLEVNMKQTAPLLAFYDSKEV-------LVNVNGQQDIQDVFADVKVIL--

General information: TITO was launched using: RESULT: Template: 3DKV.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 : 971 -48644 -50.10 -233.87 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -50.10 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_3DKV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DKV-query.scw PDB file : Tito_Scwrl_3DKV.pdb: