Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLKKMMQVLLAVFFFGLLATNTVFANTTGGRFV-DKDNRKYYVK---DDHKAIYWHKIDGKTYYFGDIGEMVV-GWQYLEIPGTGYRDNLFDNQPVNEIGLQEKWYYFGQDGALLEQTDKQVLEAKTSENTGKVYGEQYPLSAEKRTYYFDNNYAVKTGWIYEDGNWYYLNKLGNFGDDSYNPLPIGEVAKGWTQDFHVTIDIDRSKPAPWYYLDASGKMLTDWQKVNGKWYYFGSSGSMATGWKYVRGKWYYLDNKNGDMKTGWQYLGNKWYYLRSSGAMVTGWYQDGLTWYYLNAGNGDMKTGWFQVNGKWYYAYSSGALAVNTTVDGYSVNYNGEWVQ 2BIB Chain:A ((311-536)) ------------------------------QAGWHKSAYGNWWYQAPDSTGEYAVGWNEIEGEWYYFNQTGILLQNQWK--KWNNHWF---YLTDSGASA--------------------------------KN-------WKKIDGIWYYFNKENQMEIGWVQDKEQWYYLDVDGS-------------MKTGWLQY-----------MGQWYYFAPSGEMKMGWVKDKETWYYMDSTGVMKTGEIEVAGQHYYLED-SGAMKQGWHKKANDWYFYKTDGSRAVGWIKDKDKWYFL-KENGQLLVNGKTPEG--YTVDSSGAWLVDV---------------

General information: TITO was launched using: RESULT: Template: 2BIB.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 : 860 70914 82.46 320.88 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 82.46 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.389

(partial model without unconserved sides chains): PDB file : Tito_2BIB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BIB-query.scw PDB file : Tito_Scwrl_2BIB.pdb: