Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAFEGLADRLQQTISKIRGKGKVSEQDVKEMMREVRLALLEADVNFKVVKDFVKKVSERAVGQDVMKSLTPGQQVIKVVQEELTELMGGEESKIAVAKRPPTVIMMVGLQGAGKTTTSGKLANLLRKKHNRKPMLVAADIYRPAAIKQLETLGKQLDMPVFSLGDQVSPVEIAKQAIEKAKEEHYDYVILDTAGRLHIDHELMDELTNVKEIANPEEIFLVVDSMTGQDAVNVAKSFNEQLGLTGVVLTKLDGDTRGGAALSIRAVTNTPIKFAGLGEKLDALEPFHPERMASRILGMGDVLTLIEKAQASVDEDKAKELEQKMRTM-SFTLDDFLEQLGQVRNMGPLDELLQMMPGAGKMKGLKNIQVDEKQLNHVEAIIKSMTVLEKEQPDIINASRRKRIAKGSGTSVQEVNRLLKQFDEMKKMMKQMTNMSKGKKKGFKLPFM 2XXA Chain:A ((4-425)) ----NLTDRLSRTLRNISGRGRLTEDNVKDTLREVRMALLEADVALPVVREFINRVKEKAVGHEVNKSLTPGQEFVKIVRNELVAAMGEENQTLNLAAQPPAVVLMAGLQGAGKTTSVGKLGKFLREKHKKKVLVVSADVYRPAAIKQLETLAEQVGVDFFPSDVGQKPVDIVNAALKEAKLKFYDVLLVDTAGRLHVDEAMMDEIKQVHASINPVETLFVVDAMTGQDAANTAKAFNEALPLTGVVLTKVDGDARGGAALSIRHITGKPIKFLGVGEKTEALEPFHPDRIASRILGMGDVLSLIEDIESKVDRAQAEKLASKLKKGDGFDLNDFLEQLRQMKNMGGMASLMGK---------------DDKVLVRMEAIINSMTMKERAKPEIIKGSRKRRIAAGSGMQVQDVNRLLKQFDDMQR---------------------

General information: TITO was launched using: RESULT: Template: 2XXA.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 : 1795 -177672 -98.98 -437.61 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -98.98 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.617

(partial model without unconserved sides chains): PDB file : Tito_2XXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XXA-query.scw PDB file : Tito_Scwrl_2XXA.pdb: