Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSHWVYKLIVYSKLKNKLMLTYDKNEFSLPSYQPELAHVAIVGHINAFVKEHFQLKTTVLRCCRQLENIRIYEVEILEEESVQFANHVWLTLSQPSDLKKLNSDDQTILKSWIDTQRSVGIPWFHVGWRNQMERWAANVLSNSS----LT-FAQIRSWERSALFRIISDTQNYYFKAVPDV-------F-NHEPLLSDYLFQHYPLYVPEIVQVE--------PNKNWYIMREIQGSLLGQT-GKIAYWRQAIEQLAVMQKQSTRHIDELKKRNCPVRPVAKVIKSYVKCSFDDLY-ESHHIS--RETYQKLNTSIPTIINICDKIEKSNIPLALEHGDFFGGNIMVQN---GQPVIYDWSDCTLSHPFLSIMVILKEVEQFF--S------EEVAQSLLNDYLEKWSGFDSKPHLIEEYNWLKVIAPVYYLTIYQTFIFPAFNDNWDKQQIIEGYITEWLTMPML 4OCV Chain:A ((25-298)) -------------------------------------------------------------------------------------------------------------------------------------NEALFDVASHFALEGTVDSIEPYGDGHINTTYLVTTDGPRYILQRMNTGIFPDTVNLMRNVELVTSTLKAQG-KETLDIVRTTSGDTWAEIDGGAWRVYKFIEHTMSYNLVPNPDVFREAGRAFGDFQNFLSGFDANQLTETIAH--FHDTPHRFEDFKKALAADELGRAAGCGPEIEFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDERDLDKVHFSTELFRAYTEGFVG---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4OCV.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 : 958 -6082 -6.35 -25.55 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -6.35 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.263

(partial model without unconserved sides chains): PDB file : Tito_4OCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ocv-query.scw PDB file : Tito_Scwrl_4OCV.pdb: