Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKSGTTRKASFDKETYLKGASFLYKKMISYIKFLRKEWKVMSWFTRAIDAAKRNDPAARSTAEIVLTYPGFHALFWHRFSHFLYQHRLFLLAKINAQFWRFLTGVEIHPGATIGTGVFIDHGMGIVIGETAEIEDDVILFHGVTLGGTGKETGKRHPTVKQGAMLSANAQILGPVTIGKNAKIGAGAVVLKDVPDDATAVGVPAKVVRIKGEKVRRSE 4H7O Chain:C ((85-244)) ------------------------------------------------ICATVNRDPAVSMYSMPLLYLKGYHALQGYRVANWLWRQGRKALATYFQNQISVACQVDIHPAARIGRGIMLDHATGIVIGETAVVEDDVSILQDVTLGGTGKECGDRHPKIREGVMIGAGAKILGNIEVGEGAKIGSGSVVLQAVPPHTTVAGVPARIV-----------

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 : 861 -111957 -130.03 -699.73 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : -130.03 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.586

(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: