Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTYEYKSHIYLAETALNVKDLASQTAFYQQVIGLEILSQTETESILGLGGKVLVQLIQAQESGEVREHYGLYHLAILLPTRKALADVLKHLTDLQIPLVGGAD-----HGYSEAIYLEDLEGNGIELYRDKPVSTWDIREDGRIIGVTEALAAQDIYELGERVEPFILAEGTRMGHIHLSVKDSRKSSQFYQKVLGLEDKFSVP---------SASWIAAGDYHHHLAVNEWRGKGLASRKQGLPGLAYYVIEVAHKKELLTIAQRAQEVDAPIKWM------TSSKLEITDSDG-IVTRIRLAR 1KW3 Chain:B ((1-264)) ------SIERLGYLGFAVKDVPAWDHFLTKSVGLMAAGSAGDAALYRAD--QRAWRIAVQP----GELDDLAYAGLEVDDAAALERMADKLRQAGVAFTRGDEALMQQRKVMGLLCLQDPFGLPLEIYYGPAEIFH--EPF---------LPSAPV--------SGFVTGDQGIGHFVRCVPDTAKAMAFYTEVLGFVLSDIIDIQMGPETSVPAHFLHCNGRHHTIALAAF---------PIPKRIHHFMLQANTIDDVGYAFDRLDAAGRITSLLGRHTNDQTLSFYADTPSPMIEVEFGWG-

General information: TITO was launched using: RESULT: Template: 1KW3.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 : 1263 -78850 -62.43 -324.48 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -62.43 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.368

(partial model without unconserved sides chains): PDB file : Tito_1KW3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KW3-query.scw PDB file : Tito_Scwrl_1KW3.pdb: