Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSHWVYKLIVYSKLKNKLMLTYDKNEFSLPSYQPELAHVAIVGHINAFVKEHFQLKTTVLRCCRQLENIRIYEVEILEEESVQFANHVWLTLSQPSDLKKLNSDDQTILKSWIDTQRSVGIPWFHVGWRNQMERWAANVLSNSSLTFAQIRSWERSALFRIISDTQNYYFKAVPDVFNHEPLLSDYLFQHYPLYVPEIVQVEPNKNWYIMREIQGS-LLGQT-GK--IAYWRQAIEQLAVMQKQSTRHIDELKKRNCPVRPVAKVIKSYVKCSFDDLYESHHISRETYQKLNTSIPTIINICDKIEKSNIPLALEHGDFFGGNIMVQNGQPVIYDWSDCTLSHPFLSIMVILKEVEQFFSEEVAQSLLNDYLEKWSGFDSKPHLIEEYNWLKVIAPVYYLTIYQTFIFPAFNDNWDKQQIIEGYITEWLTMPML 3DXQ Chain:B ((25-233)) ------------------------------------------------------------------------------------------------------------------------------------------------------RLGGLTNLVFRA----GDLCLRIP--NRANEAVAAREAAKAG-VS-PEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPF-------R-FE---LFAMIDDYLKVLSTKNVTL-PAGYHD---VVREAGGVRSALAAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEGKF--NANQDEELMRAYFGGE-----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DXQ.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 : 857 -27353 -31.92 -138.85 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -31.92 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.184

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: