Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MSHNLITTKTEFSQMPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLL---------WFHLT-GSRNF--------------------KAFYLYWAKPF----------LC-------------------SYFTNLPSYSRFIELKAKYAMY------FVALIESLKVHSAGIAFIDSTK------LAVCH--NKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIE------HSKLKGKLFGDRGYVGKNWK---------------------------SRLAEVGVQLITRVKRNMK--PQVLAPFDHAVLKKRGIIEAPFKLMKS------QFDLEHSR-HRSKMGLLT-------TIF-----------AALTLYALVLVNGYKSGIQQILKPIDLNSA- 4UX8 Chain:A ((1-480)) LYFSRDAYWEKLYVDQAA-GTPLLYVHALRDAPEEVPSFRLGQHLYGTYRTRLHENNWIRIQEDTGLLYLQRSLDHSSWEKLSVRNRGFPLLTVYLKVFLSPCQWPGCARVYFSFFNTSFPACSSLKPRELCFPETRPSFRIRENRPPGTFHQFRLLPVQFLCPQISVAYRLLEGEGLPFRSAPDSLEVSTRWA--LDREQREKYELVAVCTVHREEVVMVPFPVTVYDEDDSAPTFPAGVDTASAVVEFKRKEDTVVATLRVFDADVVPASGELVRRYTSTLLPGDTWAQQTFRVEHWPNETSVQANGSFVRATVHDYRLVLNRNLSISENRTMQLAVLVNDSLHLPSTYSLSVSRRARRFAQIGKVCVENCQAFSGINVQYKLHSSGANCSTLGVVTSAEDTSGILFVNDTKALRRPKCAELHYMVVATDQQTSRQAQAQLLVTVEGSY

General information: TITO was launched using: RESULT: Template: 4UX8.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 : 1461 -24968 -17.09 -80.02 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -17.09 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.076

(partial model without unconserved sides chains): PDB file : Tito_4UX8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UX8-query.scw PDB file : Tito_Scwrl_4UX8.pdb: