Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------GCEVLISKKSGGDGPVKSSCIPKS--GSKVIVINGKTVTVSA-DGSCKFSSKDLDPS-----LAMKFEGDCIGI----------- 2VAB Chain:A ((1-178)) GPHSLRYFVTAVSRPGLGEPRYMEVGYVDDTEFVRFDSDAENPRYEPRARWMEQEGPEYWERETQKAKGNEQSFRVDLRTLLGYYNQSKGGSHTIQVISGCEV------GSDGRLLRGYQQYAYDGCDYIALNEDLKTWTAADMAALITKHKWEQAGEAERLRAYLEGTCVEWLRRYLKNGNAT

General information: TITO was launched using: RESULT: Template: 2VAB.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 : 155 3061 19.75 51.02 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 19.75 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.322

(partial model without unconserved sides chains): PDB file : Tito_2VAB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VAB-query.scw PDB file : Tito_Scwrl_2VAB.pdb: