Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQDSMQFAAVESGLRFYQAYDQSLSLWPIESEAFYVSTRFGKTHIIASGPKDAPSLILLHGGLFSS---AMWYPNIAAWSSQFRTYAVDIIGDKNKSIPSAA--METRADFAEWMKDVFDSLGLETAHLAGLSLGGSHIVNFLLRAPERVERAVVISPAEAFISFHPDVYKYAAELTGARGAESYIKWITGDSYDLHPLLQRQIVAG-----------VEWQDEQRSLKPT-------------ENGFPYVFTDQELKSIQVPVLLMFGEHEAMYHQQMAFERASVLVPGIQAEIVKNAGHLLSLEQPEYVNQRVLSFLCGGIK 4LYE Chain:A ((6-273)) --------------------------------ESKFIDCDGIRTHYIEMGEGD--PLVLVHGGGAGADGRSNFADNFPIFARHMRVIAYDMVGFGQTDAPDPAGFAYTQAARTDHLISFIKALGLSKICLIGNAMGGTTACGAALKAPELIDRLVLMGAA---VNISPD------DMVANRDDLAAVM-----SYDGSEEGMRKIIAALTHSYQPTDDIVHYRHEA-SLRPTTTAAYKATMGWAKQNGLYY--SPEQLASLTMPVLVLGGKNDVMVPVRKVIDQI-LAIPQAIGHVFPNCGHWVMIEYPEEFCTQTLHFF-----

General information: TITO was launched using: RESULT: Template: 4LYE.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 : 1376 -185445 -134.77 -775.92 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -134.77 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_4LYE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LYE-query.scw PDB file : Tito_Scwrl_4LYE.pdb: