Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIEIKNLTFGYDSQGTLLFEQANLNFDTQWKLGLIGRNGRGKTTLLNILQN-KLPYQGQVIHQQEFAYFPQQTKDKERLTYYVLNDITDFEIWEIERELQLMQTDPEILW-------------REFSTLSGGEKTKVLLALLFVDDTHFPLIDEPTNHLDISGRKQVAAYL--KKKKQGFIVVSHDRGFIDEVVDHVLAIEKSQLELYQGNFSIYEEQKKLRDEFEMAQNEKLKKEVSRLKKTAAEKAEWSRSREGDKTKKQVGFIDTESRRVNKGAVGADAARTMKRSKAIVNRMETQISEKEKLLKDIEYIDSLTMNSQASHHKRLLSVEDLQLGYENLLFEPIHFTIEPHQRVAISGPNGAGKSSIIHYLLGAFNGKVIGEKYQPKHLSISYASQNYEDNRGTLAEFAEKNQVDYQAFLNNLRKLGMERDVFHNKIEQMSMGQRKKVELAKSLSQPAELYTWDEPLNYLDVFNQEQLEQLILNVKPAMLLVEHDQTFLDKVSTEIISLERI 2NQ2 Chain:C ((5-219)) ---LSVENLGFYYQAEN-FLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLLLGIHRPIQGKIEVYQSIGFVPQFFSSP--FAYSVLDIVLMGRSTHINTFAKPKSHDYQVAMQALDYLNLTHLAKREFTSLSGGQRQLILIARAIASECKLILLDEPTSALDLANQDIVLSLLIDLAQSQNMTVV-----FTTHQPNQVVAIANKTLLLNKQNFKFGETRNILTSE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2NQ2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 968 -25744 -26.60 -129.37 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain C : 0.64 3D Compatibility (PKB) : -26.60 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_2NQ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NQ2-query.scw PDB file : Tito_Scwrl_2NQ2.pdb: