Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESVALYSFQATESDELAFNKGDTLKILNMEDDQNWYKAEL--RGAEGFVPKNYIR----VKPHPWYSGRISRQLAEETLMKR-NHLGAFLIRESESSPGEFSVSVNYG-----DQVQHFKVLREASGKYFLW-EEKFNSLNELVDFYRTTTIAKRRQIFLCDEQPLIKPSRACFAQAQFDFSAQDPSQLSLRRGDIVEVVEREDPHWWRGRAGGRLGFFPRSYVQPVHL 4K11 Chain:A ((2-151)) -TFVALYDYESRTETDLSFKKGERLQIVNNT-EGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHA------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4K11.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 : 514 9323 18.14 68.05 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 18.14 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_4K11.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K11-query.scw PDB file : Tito_Scwrl_4K11.pdb: