Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEFSIDNNINDGAVIKVIGVGGGGGNAVNRMIEENVKGVEFITANTDVQALKNSKAETVIQLGPKYTRGLGAGSQPEVGQKAAEESEQSLREALDGADMIFITAGMGGGTGTGAAPIVAGIAKELGALTVGVVTRPFTFEGPKRGRFAAEGIARLKENVDTLLIISNNRLLEVVDKKTPMLEAFREADNVLRQGVQGISDLITAPGYVNLDFADVKTVMENQGTALMGIGVASGEDRVVEATKKAISSPLLETSIDGAEQVLLNITGGLDMTLFEAQDASDIVANAATGDVNIILGTSINEEMGDEIRVTVIATGIDESKKERKSSRPARQAQMQSPAQKTVLDMDQAKPTSSEEENSFGDWDIRREQNVRPRVDDSNFDNIEKKEFDTFNREETKSHGDDELNTPPFFRRKK 2VAP Chain:A ((34-346)) --------QQTKAKITVVGCGGAGNNTITRLKMEGIEGAKTVAINTDAQQLIRTKADKKILIGKKLTRGLGAGGNPKIGEEAAKESAEEIKAAIQDSDMVFITCGLGGGTGTGSAPVVAEISKKIGALTVAVVTLPFVMEGKVRMKNAMEGLERLKQHTDTLVVIPNEKLFEIVP-NMPLKLAFKVADEVLINAVKGLVELITKDGLINVDFADVKAVMNNGGLAMIGIGESDSEKRAKEAVSMALNSPLLDVDIDGATGALIHVMGPEDLTLEEAREVVATVSSRLDPNATIIWGATIDENLENTVRVLLVITGVQSRIEF-------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2VAP.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 : 1991 -228766 -114.90 -730.88 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -114.90 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.650

(partial model without unconserved sides chains): PDB file : Tito_2VAP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VAP-query.scw PDB file : Tito_Scwrl_2VAP.pdb: