Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFVARDARGELVNVLEDKLEKQAYTCPACGGQLHLRQGPSVRTHFAHKSLKDCDFFFENESPEHLANKESLYHWLKKETKVQLEYPLSELKQIADVFVNGNLALEVQCSPLPQKVLKERSEGYRSQGYQVLWLLGQKLWLKERLTRLQQGFLYFSQNMGFYVWELDKGKQVLRLKYLIYQDLRGKLHYQIKEFSYGQGSLLEILRLPYKKQKISHFTVSEDKDICRYIRQQLYYQNLFWMKEQAEAYQKGENILTYGLKEWYPQIRPIVGKFFQIEQDLTSYYQHFYTYYQKNPQNDWQKLYPPAFYQQYFLKNMVE 5K2M Chain:E ((20-34)) ---------------------QIVECPVCGAELEVV-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5K2M.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 19 -1547 -81.42 -103.13 target 2D structure prediction score : 0.80 Monomeric hydrophicity matching model chain E : 0.53 3D Compatibility (PKB) : -81.42 2D Compatibility (Sec. Struct. Predict.) : 0.80 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.922

(partial model without unconserved sides chains): PDB file : Tito_5K2M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K2M-query.scw PDB file : Tito_Scwrl_5K2M.pdb: