Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVEIKNLSLDYGE---EHILDDISLSIAEGECVLFTGKSGNGKSSLINSINGLAVRYDNAKTKGEIIIDGKNIKNLELYQISMLVSTVFQNPKTYFFNVNTTLELLFYLENIGLAREEMDRR-----LKDMLKIFP--IKNLLNRNIFNLSGGEKQILCIAASYIAGTKIIVMDEPSSNLDIKSISVLAKMLKILKEKGISIIVAEHRIYYLMDIVDRVFLIDKGKLKKTYTRSEFLKLDKN---------E---LNAL-------------------------------------------SLRD-------------------------------------------------------KE--LS--KLKVP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------Y------------LKEGGEYQIKNLSYKFTD---DECLSLKDISFKLGKIYGIIGSNGRGKSTLLRCLIGLEKKSKEEIYFKGEKLS---KKERLKNSSLVMQDVNHQLFTDEVFNELRLGVKN--FDEEKAKIILKDLGLDE-----------FIERHPMSLSGGQKQRLAIASVMCKNSPFIFFDEPSSGMDYSNMIKISELINKYKTMDKIIFIVSHDIEFLNEVADEIFEL 5KO2 Chain:A ((388-1208)) -LEFKNIHFSYPSRKEVQILKGLNLKVKSGQTVALVGNSGCGKSTTVQLMQRLYDP-L----DGMVSIDGQDIRTINVRYLREIIGVVSQEPVL--FATTIAENIRYGREDVTM--DEIEKAVKEANAYDFIMKLPHQFDTLVGERGAQLSGGQKQRIAIARALVRNPKILLLDQATSALDTESEAVVQAALDKAR-EGRTTIVIAHRLSTVR-NADVIAGFDGGVIVEQGNHDELMREKGIYFKLVMTQT-DVPPASFWRILKLNSTEWPYFVVGIFCAIINGGLQPAFSVIFSKVVGVFTNGGPPETQRQNSNLFSLLFLILGIISFITFFLQGFTFGKAGEILTKRLRYMVFKSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGATGSRLAVIFQNIANLGTGIIISLIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEAIENFRTVVSLTREQKFETMYAQSLQIPYRNAMKKAHVFGITFSFTQAMMYFSYAACFRFGAYLVTQQLMTFENVLLVFSAIVFGAMAVGQVSSFAPDYAKATVSASHIIRIIEKTPEIDSYSTQGLKPNMLEGNVQFSGVVFNYPTRPSIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQLLERFYDPMAGSVFLDGKEIKQLNVQWLRAQLGIVSQEPIL--FDCSIAENIAYGDNSRVVSYEEIVRAAKEANIHQFIDSLPDKYNTRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDQATSALDTESEKVVQEALDKARE-GRTCIVIAHRLSTIQN-ADLIVVI

General information: TITO was launched using: RESULT: Template: 5KO2.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 : 1636 48128 29.42 110.13 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 29.42 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_5KO2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KO2-query.scw PDB file : Tito_Scwrl_5KO2.pdb: