Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVEIKNLSLDYGE---EHILDDISLSIAEGECVLFTGKSGNGKSSLINSINGLAVRYDNAKTKGEIIIDGKNIKNLELYQISMLVSTVFQNPKTYFFNVNTTLELLFYLENIGLAREEMDRRLKDMLKIFPI-----------KNLLNRNIFNLSGGEKQILCIAASYIAGTKIIVMDEPSSNLDIKSISVLAKMLKILKEKGISIIVAEHRIYYLMDIVDRVFLIDKGKLKKTYTRSEFLKLDKN---------E---LNAL-------------------------------------------S-LR------------------------------------------------------DKE--LS--KLKVP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------Y------------LKEGGEYQIKNLSYKFTD---DECLSLKDISFKLGKIYGIIGSNGRGKSTLLRCLIGLEKKSKEEIYFKGEKLS---KKERLKNSSLVMQDVNHQLFTDEVFNELRLGVKN--FDEEKAKIILKDLGLD-----------EFIERHPMSLSGGQKQRLAIASVMCKNSPFIFFDEPSSGMDYSNMIKISELINKYKTMDKIIFIVSHDIEFLNEVADEIFEL 5KO2 Chain:B ((388-1208)) -LEFKNIHFSYPSRKEVQILKGLNLKVKSGQTVALVGNSGCGKSTTVQLMQRLYDP-L----DGMVSIDGQDIRTINVRYLREIIGVVSQEPVL--FATTIAENIRYGREDVT--MDE----IEKAVKEANAYDFIMKLPHQFDTLVGERGAQLSGGQKQRIAIARALVRNPKILLLDQATSALDTESEAVVQAALDKAR-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 B - contact count / total energy / energy per contact / energy per residue : 1675 56521 33.74 130.53 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : 33.74 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.494

(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: