Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIVIADDHHVVRKGLRFFFATQDDIEVVGEAATGLEALRVIEETKPDLVLMDLSMPEMDGIQAIKKAIQQFPDTNIIVLTSYSDQEHVIPALQAGAKAYQLKDTEPEELV-KTRQVHGGEYKLSTAIMPHVLTHMKNQHDPEKEKYYQLTRREKDVLTEIANGKSNKEIAAALFISEKTVKTHVSNLLAKLEVADRTQAALFAVKYNLNGEISK 4GVP Chain:A ((3-207)) IKVLFVDDHEMVRIGISSYLSTQSDIEVVGEGASGKEAIAKAHELKPDLILMDLLMEDMDGVEATTQIKKDLPQIKVLMLTSFIEDKEVYRALDAGVDSYILKTTSAKDIADAVRKTSRGE----SVFEPEVLVKMRNRMKKRAELYEMLTEREMEILLLIAKGYSNQEIASASHITIKTVKTHVSNILSKLEVQDRTQAVIYAFQHNL------

General information: TITO was launched using: RESULT: Template: 4GVP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 998 -104323 -104.53 -511.38 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -104.53 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_4GVP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GVP-query.scw PDB file : Tito_Scwrl_4GVP.pdb: