Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSADTQHFTGTDQYIATDSLKLAVKAARALQKPLLVKGEPGTGKTLLAEQVAESLGLKLITWHIKSTTKAQQGLYEYDAVSRLRDSQLGDDRVYDIKNYIKPGKLWEAFTSEERCVLLIDEID----KADIEFPND--------LLHELDKMSFYVYETGETITATQRPIVIITSNNEKELPD-AFLRRCFFH---YIEFPDEATMREIISVHFPNISVTLVNEALQVFFKLREIPNLKKPPSTSELIDWLSLLMADDMPEDVLRNRDTSKAIPPLYGALIKNEQDVQLLERLAFMSRR 2R62 Chain:A ((204-386)) -------------------------------KGVLLVGPPGTGKTLLAKAVAGEAHVPFFSMGGSSFIEMFVGL----GASRVRD-------------------LFETAKKQAPSIIFIDEIDAIGK-------NDEREQTLNQLLAEMDGFG-----------SENAPVIVLAATNRPEILDPALMRPGRFDRQVLVDKPDFNGRVEILKVHIK--GVKLAND-----VNLQEVAKLTAGLAGADLANIIN-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2R62.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 : 585 -34533 -59.03 -219.96 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -59.03 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_2R62.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R62-query.scw PDB file : Tito_Scwrl_2R62.pdb: