Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVIQVKGNVTYPITIDPSVWIFDDRKFSFDRKGDSQDTYLQSAGDESDLDPERVIREGRIAPPTLKTEKQYEKQKLMNGSFAMRLGTVLKNAEPNSSATQCVFVTSSGKAAVSLE------TALNSIVHFSEAGKPIQE---GGPVHIYFEDPVHHKQPITDVKEIEII 1WSC Chain:A ((22-100)) ---------------------------------------------------------------------------KIARDSIANKLGILKINLEDYLSSLNDPILNKKGLAFVTLETYYGNSTSLRGCIGYVEAVAPLKEIVSKAAIAAAFSDP----------------

General information: TITO was launched using: RESULT: Template: 1WSC.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 : 227 -14699 -64.75 -209.98 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -64.75 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.040

(partial model without unconserved sides chains): PDB file : Tito_1WSC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WSC-query.scw PDB file : Tito_Scwrl_1WSC.pdb: