Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRFKSTLDVKCPTKEIAMLDEIKMIESVAPDIIEVLQERYKILRNIYWMQPIGRRSLSESMGITERVLRTETDLLKNLNLIDTSKSGMTLTTKGEEVYQSLENFMDQLLGTHQTEQQLAEYFGNQRCIVVSGNSEEQTKVADAFGEALSEALDRLLPEGENIIAVMGGTTMAVVAEQLSNLENKKRHNLFVPARGGIGE--AITVQANSVSARMAAKANGNHRALYVPEQLSLA-TYNSLLNEPSIQEVLNLISEANCVIHSIGRALHMA--ARRKMTEKE-LVMLKQANAVAESFGYFFNEKGEVVYK---VPRIGIELQDLEKVPIIMAIAGGKSKAKAIRAYMKNAPKQTWLITDEAAANEILKGVTL 2W48 Chain:C ((5-315)) ----------------------------------DDIRLIVKIAQLYYE-QDMTQAQIARELGIYRTTISRLLKRGREQGIVTIAINY----------------DY---NENLWLEQQLKQKFGLKEAVVA--------EQLSAMGQHGALLVDRLLEPGD-IIGFSWGRAVRSLVENLPQR-SQSRQVICVPIIGGPSGKLESRYHVNTLTYGAAARLKAESHLADFPALLDNPLIRNGIMQSQHFKTISSYWDSLDVALVGIGSPA--DGANWHAFYGSEESDDLNARHVAGDICSRFYDINGG---TNMSEKTLSIEMAKLRQARYSIGIAMGEEKYSGILGALHGRYIN-CLVTNRETAELLLK----

General information: TITO was launched using: RESULT: Template: 2W48.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1435 -76418 -53.25 -264.42 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain C : 0.66 3D Compatibility (PKB) : -53.25 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_2W48.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W48-query.scw PDB file : Tito_Scwrl_2W48.pdb: