Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDQAFTFQTLHPDTIMDALFE-QGIR-VDSGLTPLNSYENRVYQFQDEDRQRFVVKFYRPQRWSAEQIQEEHQFAHDLLDDDVPVAAPLKFNNQTLLTHEGFYYAVFPSLGGR-QFEAD-NIDQMEWVARYLGRIHQTGRKEDFIARPTIGIQEYLLEPRQVFETSALIPKALKDNFLNATDKLIDAVKTCWRDEISVLRLHGDCHAGNILWRD--GPLFVDLDDARMGPAVQDLWMLLNGDKAEQRMQLETIIEAYEEFSPFNSDEIVLIEPLRAMRFVYYLAWLIRRWDDPAFPRNFPWLTGEDYWRSQISTFTEQVKVLKEPPLQLTPMY 4R7B Chain:A ((18-304)) --------GSHMEKIIKEKISSLLSQEEEVLSVEQLGGMTNQNYLAKTTN-KQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFD--------IEAGIKVNEYIESAITLDSTSIKTKFDKIAPILQTIHTSAKELRGEFA-PFE---EIKKYESLIEE--QIPYANYESVRNAVFSLEKRLAD---LGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESE-FTSQEEETFLSHYESDQTP--VSHEKIAIYKILQDTIWSLWTVYKEEQG---E-----DFGDYGVNRYQRAVKGLASYG----------

General information: TITO was launched using: RESULT: Template: 4R7B.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 : 1338 41916 31.33 149.17 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 31.33 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.313

(partial model without unconserved sides chains): PDB file : Tito_4R7B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r7b-query.scw PDB file : Tito_Scwrl_4R7B.pdb: