Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVELRVGNRYRIGQKIGSGSFGEIFRGTNIQTGDPVAIKLEQVKTRHPQLTYESRFYRILGSGGGAVGIPMMFYHGVEGEFNVMVIELLGPSLEDLFSFCGRRLSLKTTLMLADQMISRIEFVHSKSVLHRDIKPDNFLMGTGKKGHHVYIIDFGLAKKYRDPRTHAHIPYKEGKSLTGTARYCSINTHMGVEQGRRDDMEGIGYILMYFLRGSLPWQGLKAHTKQEKYNRISERKQTTPVELLCKGFPSEFAAYMNYVRALRFEDKPDYSYLKRMFRDLFVREGYHVDYVFDWTLKRIHESLQEQQSFPGGSNGGGAAGNGSPVNQSPAQGGNGGAPNSANNQESGAQEQQ 5IH6 Chain:A ((2-292)) ---ELRVGNRYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQ---GGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGL------QKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNM--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IH6.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 : 1386 -140772 -101.57 -493.94 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -101.57 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_5IH6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IH6-query.scw PDB file : Tito_Scwrl_5IH6.pdb: