Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESKVVENRLKEAKLIAVIRSKDKQEACQQIESLLDKGIRAVEVTYTTPGASDIIESFRN-REDILIGAGTVISAQQAGEAAKAGAQFIVSPGFSADLAEHLSFVKT------HYIPGVLTPSEIMEALTFGFTTLKLFPSG-VFGIPFMKNLAGPFPQVTFIPTGGIHPSEVPDWLRAGAGAVGVGSQLGSCSKEDLQAVFQV 3VCR Chain:A ((11-197)) ----------NTKPLIPVIVIDDLVHAIPMAKALVAGGVHLLEVTLRTEAGLAAISAIKKAVPEAIVGAGTVCTADDFQKAIDAGAQFIVSPGLTPELIEKAKQVKLDGQWQGVFLPGVATASEVMIAAQAGITQLKCFPASAIGGAKLLKAWSGPFPDIQFCPTGGISKDNYKEYLGLPNVICAGGSWLTESKLLI-------

General information: TITO was launched using: RESULT: Template: 3VCR.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 : 936 -58146 -62.12 -324.84 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -62.12 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_3VCR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VCR-query.scw PDB file : Tito_Scwrl_3VCR.pdb: