Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNLDGLLSRIQAKTFSLVTHRDGATVYKAQTTQGYVFVKMYTRK-VDHERYCEILDELRA-FSLVPKLLNQFEW------ENYFVVVMSALEGQPVNNILKNCSRTEKLSLLKEAGASLGSFHRAISPSRLFEMKFWKGRDDSSKDPTLWNEHLKLMTTKWMSRIDPTK-----AD-----YKEFSYELSEL---ALYC-K----D--LREPTQFSLLHCDYIGRNLLATSCNKISGVLDYEAARIGDAVYDLAKIVWLDMEFS-----DLELRHAFLQGWEKT-YGEVVPQREFLTYVGIQCLAAIAWTDKHAPIEGNTIFRASAIKALKIVANEL 2Q83 Chain:A ((32-300)) ----------VQAEKIDVIQ----ALVWKVHTDSGAVCLKRIHRPEKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELT--------VKQDLEFIMKGLADFHTASVGYQP------PNGVPIFTKLGRWPNHYTKRCKQM-ETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLG-ENEQIWVIDLDTVSFDLPIRDLRKM-IIPL-LDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMF-----------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q83.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 : 880 2825 3.21 12.23 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 3.21 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.284

(partial model without unconserved sides chains): PDB file : Tito_2Q83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2q83-query.scw PDB file : Tito_Scwrl_2Q83.pdb: