Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLKKMMQVLLAVFFFGLLATNTVFANTTGGRFVDKDNRKYYVKDDHKAIYWHKIDGKTYYFGDIGEMVVGWQYLEIPGTGYRDNLFDNQPVNEIGLQEKWYYFGQDGALLEQTDKQVLEAKTSENTGKVYGEQYPLSAEKRTYYFDNNYAVKTGWIYEDGNWYYLNKLGNFGDDSYNPLPIGEVAKGWTQDFHVTIDIDRSKPAPWYYLDASGKMLTDWQKVNGKWYYFGSSGSMATGWKYVRGKWYYLDNKNGDMKTGWQYLGNKWYYLRS-SGAMVTGWYQDGLTWYYLNAGNGDMKTGWFQVNGKWYYAYS-SGALAVNT-TVDG--YSVNYNGEWVQ 2X8O Chain:A ((179-293)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------APWYYLDASGKMLTDWQKVNGKWYYFGS-SGSMATGWKYVRGKWYYLDNKNGDMKTGWQYLGNKWYYL-RSSGAMVTGWYQDGLTWYYLNAGNGDMKTGWFQVNGKWYYAYSSGALA-

General information: TITO was launched using: RESULT: Template: 2X8O.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 : 372 -35590 -95.67 -323.54 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -95.67 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_2X8O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X8O-query.scw PDB file : Tito_Scwrl_2X8O.pdb: