Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLKKMMQVLLAVFFFGLLATNTVFANTTGGRFVDKDNRKYYVKDDHKAIYWHKIDGKTYYFGDIGEMVVGWQYLEIPGTGYRDNLFDNQPVNEIGLQEKWYYFGQDGALLEQTDKQVLEAKTSENTGKVYGEQYPLSAEKRTYYFDNNYAVKTGWIYEDGNWYYLNKLGNFGDDSYNPLPIGEVAKGWTQDFHVTIDIDRSKPAPWYYLDASGKMLTDWQKVNGKWYYFGSSG-SMATGWKYVRGKWYYLDNKNGDMKTGWQYLGNKWYYLRSSGAMVTGWYQDGLTWYYLNAGNGDMKTGWFQVNGK-WYYAYSSGALAVNTTVDGYSVNYNGEWVQ 2IXU Chain:A ((223-327)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------WEKIGGVWYYFDSKGYCLTSEWLKDNEKWYYLKD-NGAMATGWVLVGSEWYYMDDSGAMVTGWVKYKNNWYYMTNERGNMVSNEFIKSGKGWYFMNTNGELADNPS--------------

General information: TITO was launched using: RESULT: Template: 2IXU.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 : 365 -23502 -64.39 -228.17 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -64.39 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_2IXU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IXU-query.scw PDB file : Tito_Scwrl_2IXU.pdb: