Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKSGTTRKASFDKETYLKGASFLYKKMISYIKFLRKEWKVMSWFTRAIDAAKRNDPAARSTAEIVLTYPGFHALFWHRFSHFLYQHRLFLLAKINAQFWRFLTGVEIHPGATIGTGVFIDHGMGIVIGETAEIEDDVILFHGVTLGGTGKETGKRHPTVKQGAMLSANAQILGPVTIGKNAKIGAGAVVLKDVPDDATAVGVPAKVVRIKGEKVRRSE 4H7O Chain:C ((77-248)) ----------------------------------------ISEAAACDICATVNRDPAVSMYSMPLLYLKGYHALQGYRVANWLWRQGRKALATYFQNQISVACQVDIHPAARIGRGIMLDHATGIVIGETAVVEDDVSILQDVTLGGTGKECGDRHPKIREGVMIGAGAKILGNIEVGEGAKIGSGSVVLQAVPPHTTVAGVPARIVGRPQ-------

General information: TITO was launched using: RESULT: Template: 4H7O.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 934 -112899 -120.88 -656.39 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : -120.88 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_4H7O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4H7O-query.scw PDB file : Tito_Scwrl_4H7O.pdb: