Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQDSMQFAAVESGLRFYQAYDQSLSLWPIESEAFYVSTRFGKTHIIASGPKDAPSLILLHGGLFSSAMWYPNIAAWSSQFRTYAVDIIGDKNKSIPSAAMETRADFAEWMKDVFDSLGLETAHLAGLSLGGSHIVNFLLRAPERVERAVVISPAEAFISFHPDVYKYAAELTGARGAESYIKWITGDSYDLHPLLQRQIVAGVEWQDEQRSLKPTENGFPYVFTDQELKSIQVPVLLMFGEHEAMYHQQMAFERASVLVPGIQAEIVKNAGHLLSLEQPEYVNQRVLSFLCGGIK 4CCW Chain:A ((11-292)) ----------SDNGIRYYQTYNESLSLWPVRCKSFYISTRFGQTHVIASGPEDAPPLVLLHGALFSSTMWYPNIADWSSKYRTYAVDIIGDKNKSIPENLSGTRTDYANWLLDVFDNLGIEKSHMIGLSLGGLHTMNFLLRMPERVKSAAILSPAETFLPFHHDFYKYALGLTASNGVEKFLNWMMTDQNVLHPIFVKQFQAGVMWQDGSRNPNPKADGFPYVFTDEELRSARVPILLLLGEHEVIYDPHSALHRASSFVPDIEAEVIKNAGHVLSMEQPAYVNERVMRFFN----

General information: TITO was launched using: RESULT: Template: 4CCW.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 : 1613 -198632 -123.14 -704.37 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -123.14 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_4CCW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CCW-query.scw PDB file : Tito_Scwrl_4CCW.pdb: