Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLSRIALATMLVAAPLAAANAGVTVTPLLLGYTFQDSQHNNGGKDGNLTNSPELQDDLFVGAALGIELTPWLGFEAEYNQVKGDVDGASAGAEYKQKQINGNFYVTSDLITKNYDSKIKPYVLLGAGHYKYDFDGVNRGTRGNSEEGTLGNAGVGAFWRLNDALSLRTEARATYNADEEFWNYTALAGLNVVLGGHLKPAAPVVVEVAPVEPTPVAPQPQELTEDLNMELRVFFDTNKSNIKDQYKPEIAKVAEKLSEYPNATARIEGHTDNTGPRKLNERLSLARANSVKSALVNEYNVDASRLSTQGFAWDQPIADNKTKEGRAMNRRVFATITGSRTVVVQPGQEAAAPAAAQ 4G4Y Chain:B ((5-123)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELTEDLNMELRVFFDTNKSNIKDQYKPEIAKVAEKLSEYPNATARIEGHTDNTGPRKLNERLSLARANSVKSALVNEYNVDASRLSTQGFAWDQPIADNKTKEGRAMNRRVFATITGSR-----------------

General information: TITO was launched using: RESULT: Template: 4G4Y.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 : 545 -27772 -50.96 -233.38 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -50.96 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_4G4Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G4Y-query.scw PDB file : Tito_Scwrl_4G4Y.pdb: