Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPGKSRIIFHIDMNSFYASVEMAYDPALRGKPVAVA--GNVKERKGIVVTCSYEARARGVKTTMPVWQAKRHCPELIVLPPNFDRYRNSSRAMFTILREYTDLVEPVSIDEGYMDMTDTPYSSR-ALETAKEIQSRLQKELLLPSSIGIAPNKFLAKMASDMKKPLGITILRKRQVPDILWPLPVGEMHGVGKKTAEKLKGLGIHTIGELAAADEHSLKRLLG-INGPRLKNKANGIHHAPVDPERIYEFKSVGNSSTLSHDSSDEEELLGVFRKLAASVSDRLQRKEVMASKLFIMIRYADWRTITRSTTLRNPIDQKNDILKEAEHLFFKHWNKNPVRLLGITGTDLVEKEQAYKQLDLFSFNEDAKDEPIQQMMEKLNKKYGTKLIRKGATLKKEESKTKGTSFNKDFFQDEKKS 2R8I Chain:A ((2-261)) ------IVLFVDFDYFYAQVEEVLNPSLKGKPVVVCVFSGRFEDSGAVATANYEARKFGVKAGIPIVEAKKILPNAVYLPMRKEVYQQVSSRIMNLLREYSEKIEIASIDEAYLDISDKVRDYREAYNLGLEIKNKILEKEKITVTVGISKNKVFAKIAADMAKPNGIKVIDDEEVKRLIRELDIADVPGIGNITAEKLKKLGINKLVDTLSIEFDKLKGMIGEAKAKYLISLARDEYNEPI---RTRVRKSIGRIVTMKRNSRNLEEI-----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2R8I.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 : 1214 10645 8.77 41.58 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 8.77 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.605

(partial model without unconserved sides chains): PDB file : Tito_2R8I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R8I-query.scw PDB file : Tito_Scwrl_2R8I.pdb: