Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKKTIAVIGSGAAALSLAAAFPPSYEVTVITKKSVKNSNSVYAQGGIAAAYAKDDSIEAHLEDTLYAGCGHNNLAIVADVLHDGKMMVQSLLERGFPFDRNERGGVCLGREGAHSYNRIFHAGGDATGRLLIDYLLKRINSK-IKLIENETAADLLIEDGRCIGVMTKDSKGRLKVRHADEVVLAAGGCGNLFLHHTNDLTVTGDGLSLAYRAGAELTDLEFTQFHPTLLVKNGVSYGLVSEAVRGEGGCLVDENGRRIMAERHPLGDLAPRDIVSRVIHEEMAKGNRVYIDFSAISDFETRFPTITAICEKAGIDIHSGKIPVAPGMHFLMGGVSVNRWGETTVPGLYAIGETACSGLHGANRLASNSLLEALVFGKRAAEHIIQKPVYNRQYQSGLETS--VFYEVPDIEGH------ELQSKMTSHMSILREQSSLIELSIWLHTLPFQEVNVKDITIRQMELSHLWQTAKLMTFSALLREESRGAHFRTDFPHAEVSWQGRQIVHTKKGTKIRKNEGIWNNESFTAEKITESLFS 2E5V Chain:A ((2-465)) -----IYIIGSGIAGLSAGVALRRAGKKVTLISKRIDGGSTPIAKGGVAASVGSDDSPELHAQDTIRVGDGLCDVKTVNYVTSEAKNVIETFESWGFEFEEDLR------LEGGHTKRRVLHRT-DETGREIFNFLLKLAREEGIPIIEDRLV-EIRVKDGKVTGFVTEK---RGLVEDVDKLVLATGGYSYLYEYSSTQSTNIGDGMAIAFKAGTILADMEFVQFHPTVTSLDGEVF-LLTETLRGEGAQIINENGERFLFNYDKRGELAPRDILSRAIYIEMLKGHKVFIDLSKIEDFERKFPVVAKYLARHGHN-YKVKIPIFPAAHFVDGGIRVNIRGESNIVNLYAIGEVSDSGLHGANRLASNSLLEGLVFG-------INLPRYVDSSWEGISTDDGIVHSVR-ISGNKTLSLKEIRRINWENVGIIRNEEKL----------------VKAINTYSSSTQNEAIISYLTALAAEIRKESRGNHFREDYPYKDPNWEKR----------------------------------

General information: TITO was launched using: RESULT: Template: 2E5V.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 : 2879 -53459 -18.57 -117.49 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -18.57 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_2E5V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2E5V-query.scw PDB file : Tito_Scwrl_2E5V.pdb: