Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTYEYKSHIYLAETALNVKDLASQTAFYQQVIGLEILSQTETESILGLGGKVLVQLIQAQESGEVREHYGLYHLAILLPTRKALADVLKHLTDLQIPLVGGA-DHGYSEAIYLEDLEGNGIELYRDKPVSTWDIREDGRIIGVTEALAAQDIYELGERVEP-FILAEGTRMGHIHLSVKDSRKSSQFYQKVLGLEDKFSVP-----SASWIAAGDYHHHLAVNEWRGKGLASRKQGLPGLAYYVIEVAHKKELLTIAQRAQEVDAPIKWM-------TSSKLEITDSDGIVTRIRLAR 3LM4 Chain:D ((3-273)) -LDARFDIAHLARAELFSPKPQETLDFFTKFLGMYVTHREGQSVYLRGYEDPYPWSLKITE----APEAGMGHAAMRTSSPEALERRAKSLTDGNVDGTWSEDQFGYGKTFEYQSPDGHNLQLLWEAEKYVA---PP--EL---RSKI-LTRPS-----KKPLQGIPVKRIDHLNLMSSDVTAVKDSFERHLGFRTTERVVDGNVEIGAWMSSNLLGHEVACMRDM-------TGGHGKLHHLAFFYGTGQHNIDAVEMFRDYDIQIEAGPDKHGITQSQFLYVFEPGGNRIELFGE-

General information: TITO was launched using: RESULT: Template: 3LM4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1354 -5583 -4.12 -21.72 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain D : 0.65 3D Compatibility (PKB) : -4.12 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_3LM4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LM4-query.scw PDB file : Tito_Scwrl_3LM4.pdb: