Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKNRFFNTMQIQNQVQLKPFNTLSLDVTASHYTKVKSIEDIEEALAFAKEHELNVLVLSGGSNMLLPQQINALVIHLDIQGIDVLSEDQDFIRVKVGAGQVWHDFVLYTTKQNWFGLQNLALIPGLVGASPVQNIGAYGVEVGEFIESVQVYDRLLKQTGSISAAD---CHFSYRHSIFKDEPARYIITHVTFKLLKQANLKLNYGDLKQAVGD----NLTAENLQNQVIHIRQSKLPDPKEYPNVGSFFKNPIVNTQEFERLIAQFSTIPHYPQANGNVKIAAGWLIDQAGWKGKQLGVVGMFHKQALVLVNYANASLADVKKTYQAVQHDVEQRFQIMLEPEPVLYNNLGLIENHTE 4JAY Chain:B ((3-340)) --------SLELQEHCSLKPYNTFGIDVRARLLAHARDEADVREALALARERGLPLLVIGGGSNLLLTRDVEALVLRMASQGRRIVSDAADSVLVEAEAGEAWDPFVQWSLERGLAGLENLSLIPGTVGAAPMQNIGAYGVELKDVFDSLTALDR---QDGTLREFDRQACRFGYRDSLFKQEPDRWLILRVRLRLTRRERLHLDYGPVRQRLEEEGIASPTARDVSRVICAIRREKLPDPAVLGNAGSFFKNPLVDATQAERLRQAFPDLVGYPQADGRLKLAAGWLIDKGGWKGFRDGPVGVHAQQALVLVNHGGATGAQVRALAERIQEDVRRRFGVELEPEPNLY-----------

General information: TITO was launched using: RESULT: Template: 4JAY.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 : 1746 -66460 -38.06 -200.78 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -38.06 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_4JAY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JAY-query.scw PDB file : Tito_Scwrl_4JAY.pdb: