Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQDSMQFAAVESGLRFYQAYDQSLSLWPIESEAFYVSTRFGKTHIIASGPKDAPSLILLHGGLFSSAMWYPNIAAWSSQFRTYAVDIIGDKNKSIPSAAMETRADFAEWMKDVFDSLGLETAHLAGLSLGGSHIVNFLLRAPERVERAVVISPAEAFISFHPDVYKYAAELTGARGAESYIKWITGDSYDLHPLLQRQIVAGVEWQDEQRSLKPTENGFPYVFTDQELKSIQVPVLLMFGEHEAMYHQQMAFERASVLVPGIQAEIVKNAGHLLSLEQPEYVNQRVLSFLCGGIK 4CCY Chain:A ((11-295)) ----------VESGLRFYQAYDQSLSLWPIESEAFYVSTRFGKTHIIASGPKDAPSLILLHGGLFSSAMWYPNIAAWSSQFRTYAVDIIGDKNKSIPSAAMETRADFAEWMKDVFDSLGLETAHLAGLSLGGSHIVNFLLRAPERVERAVVISPAEAFISFHPDVYKYAAELTGARGAESYIKWITGDSYDLHPLLQRQIVAGVEWQDEQRSLKPTENGFPYVFTDQELKSIQVPVLLMFGEHEAMYHQQMAFERASVLVPGIQAEIVKNAGHLLSLEQPEYVNQRVLSFLCGGI-

General information: TITO was launched using: RESULT: Template: 4CCY.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 : 1683 -207010 -123.00 -726.35 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.98 3D Compatibility (PKB) : -123.00 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.98 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_4CCY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CCY-query.scw PDB file : Tito_Scwrl_4CCY.pdb: