Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAVTESVLESIISPVTMSEFLEEYWPVKPLVARGEVERFTSIPGFEKVRTLENVLAIYNNPVMVVGDAVIEESEGITDRFLVSPAEALEWYEKGAALEFDFTDLFIPQVRRWIEKLKAELRLPAGTSSKAIVYAAKNGGGFKAHFDAYTNLIFQIQGEKTWKLAKNENVSNPMQHYDLSEAPYYP-DDLQSYWKGDPPKEDLPDAEIVNLTPGTMLYLPRGLWHSTKSDQATLALNI---TFGQPAWLDLMLAALRKKLISDNRFRELAVNHQSLHESSKSELNGYLESLIQTLSENAETLTPEQIFQSQDSDFDPYQSTQLVFRQLLTSYKF 4CCO Chain:A ((102-256)) ------------------------------------------------------------------------------------PAAAWSLYQAGCSLRLLCPQAFSTTVWQFLAVLQEQFGSMAGSN---VYLTPPNSQGFAPHYDDIEAFVLQLEGRKLWRVYRPR---APTEELALTCSPNFSQDDL-----GEPVLQTV-------LEPGDLLYFPRGFIHQAECQDGVHSLHLTLSTYQRNTWGDFLEAIL------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CCO.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 : 655 -20071 -30.64 -133.81 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -30.64 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.482

(partial model without unconserved sides chains): PDB file : Tito_4CCO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CCO-query.scw PDB file : Tito_Scwrl_4CCO.pdb: