Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFNLLTAEKIKVWKSRKMWVSLGLMVVLPLFYSWNEWYMHTKYGNELNQATDTVINGATGILMVEKMAAWILLAFAAFACFYIGEEFQNGTIRNTLSLGRNR-MTYYVSKLLVTL-LITTLGVVLITGLAMIAYTLAFGFGEVEGIKNYGNYVLKVFPVLLLLILATLSVPVALTFITRSTSVSLLLSFLYIMGTAFVPGVFAK----IKGLEFLTEWFTETWLMYTDFA-----QQATY--------------------------------SQAPKMILVSLVTIVVSSALGMFIFQKSDIK 5NJG Chain:B ((387-662)) -RWVSKRSFKNLLGNPQASIAQIIVTVVLGLVIGAIYFGLKN---DSTGI-QNR---------AGVLFFLTTNQCFSSVSAVELFVVEKKLFIHEYISGYYRVSSYFLGKLLSDLLPMRMLPSIIFTCIVYF----MLGLK-PK-----ADAFFVMMFTLMMVAYSASSMALAIAAGQSVVSVATLLMTICFVFMMIFSGLLVNLTTIASWLSWLQ--YFSIPRYGFTALQHNEFLGQNFCPGLNATGNNPCNYATCTGEEYLVKQGIDLSPWGLWKNHVALACMIVIFLTIAYLKLLFLKK-

General information: TITO was launched using: RESULT: Template: 5NJG.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 : 901 -142306 -157.94 -610.76 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -157.94 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.276

(partial model without unconserved sides chains): PDB file : Tito_5NJG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NJG-query.scw PDB file : Tito_Scwrl_5NJG.pdb: