Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------MVKYQYEFPLDKAGKAGAVKPYRGGKNDFVTPVSN-----LSGVAEILTNAALKATEAYSQLGQDRLGA------VLISKVKGWAYADRE--GTLFIEESDNNNVWTTTAAVNVAAG--------VLTA----TDWVYLSKRY---YRFRYVN-GNLQQSEFVLYQSVGAGEMDVRVNEKTPLQIDFAENQTH--------DGRLKVEARKTF---DFVFHENAESASEGAA--LPVDGAAHLL---------VEVYGTAEMSEVKFWGKSVSGQKLPIRGVKTDDATTASSTLGKAEAW-------------AFDIKGFKEIIMEIISITGGTLSVKGTAVS-------------------- 4I6M Chain:B ((3-439)) PFRQDSILIIYPRSQTTLVQFGLNEETFTVPELEIPTQIYRTTRQDGSYTYHSTNKDNKAELIKPIQNGEIIDISAFTQFLRLIFVSILSDRANKNQDAFEAELSNIPLLLITHHSWSQSDLEIITQYVFESLEINNLIQLPASLAATYSMISLQNCCIIDVGTHHTDIIPIVDYAQLDHLVSSIPMGGQSINDSLKKLLPQWDDDQIESLKKSPIFEVLSKNSDLEFNTFWDEKGNEIKVGKQRFQGCNNLIKNISNRVGLTLDNIDDINKAKAVWENIIIVGGTTSISGFKEALLGQLLKDHLIIEPEEEKSKREEEAKSFVPTIEYVQCPTVIKLAKYPDYFPEWKKSGYSEIIFLGAQIVSKQIFTHPKDTFYITREKYNMKGPAALWDVQF

General information: TITO was launched using: RESULT: Template: 4I6M.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 885 -76269 -86.18 -273.36 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -86.18 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.146

(partial model without unconserved sides chains): PDB file : Tito_4I6M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4I6M-query.scw PDB file : Tito_Scwrl_4I6M.pdb: