Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKSGTTRKASFDKETYLKGASFLYKKMISYIKFLRKEWKVMSWFTRAIDAAKRNDPAARSTAEIVLTYPGFHALFWHRFSHFLYQHRLFLLAKINAQFWRFLTGVEIHPGATIGTGVFIDHGMGIVIGETAEIEDDVILFHGVTLGGTGKETGKRHPTVKQGAMLSANAQILGPVTIGKNAKIGAGAVVLKDVPDDATAVGVPAKVVRIKGEKVRRSE 3GVD Chain:I ((87-251)) -----------------------------------------------DILAVRLRDPAVDKYSTPLLYLKGFHALQAYRIGHWLWAQDRKALAIYLQNQVSVAFGVDIHPAATIGCGIMLDHATGIVIGETAVVENDVSILQSVTLGGTGKTSGDRHPKIREGVMIGAGAKILGNIEVGRGAKIGAGSVVLQSVPAHTTAAGVPARIVGKPE-------

General information: TITO was launched using: RESULT: Template: 3GVD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 895 -110845 -123.85 -671.79 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain I : 0.76 3D Compatibility (PKB) : -123.85 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_3GVD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GVD-query.scw PDB file : Tito_Scwrl_3GVD.pdb: