Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGFFDKIKRAFTGEEKTEEVEVQEKYDKGLEKTRKTFGERMNELFANFRTVDEDFFEELEETLIGADVGFETAIRITEALRQEVKLRNAKKSAEVQNAIIEKLVDLYEAEGINEVNELNIQEDGLTVILFVGVNGVGKTTSIGKLAHQFKNEGKKVLMAAADTFRAGAIDQLVVWGERAGVEVVRGNAGGDPAAVVFDALERAKTEQADVLLVDTAGRLQNKVNLMNELEKIKRVIQRELPEAPQETLLVLDATTGQNAMVQAKQFKETTDVTGLVLTKLDGTAKGGIVLAIRNELHLPVKLVGLGEGIDDLEPFDPNDFVVGLFKGLLKEE 1VMA Chain:B ((14-306)) --------------------GLFDFLKKGLQKTKETFFGRVVKLLK-GKKLDDETREELEELLIQADVGVETTEYILERLEEKDG--------DALESLKEIILEILNFD-T----KLNVPPEPPFVIMVVGVNGTGKTTSCGKLAKMFVDEGKSVVLAAADTFRAAAIEQLKIWGERVGATVISHSEGADPAAVAFDAVAHALARNKDVVIIDTAGRLHTKKNLMEELRKVHRVVKKKIPDAPHETLLVIDATTGQNGLVQAKIFKEAVNVTGIILTKLDGTAKGGITLAIARELGIPIKFIGVGEKAEDLRPFDPEAFVEVLLSE-----

General information: TITO was launched using: RESULT: Template: 1VMA.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 : 1680 -194119 -115.55 -662.52 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -115.55 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.618

(partial model without unconserved sides chains): PDB file : Tito_1VMA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VMA-query.scw PDB file : Tito_Scwrl_1VMA.pdb: