Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKKVIVLGEIRDGELRNVTFEAIAAGRTISGDGEVIGVLIGENVQSIAQELIHY-GADKVLTAEDPKLKTYTADGYSQVMRGVIEQENPDSVIFGHTAMGKDLSPKLAARLQTGLISDAIDVSVTGGNVVFTRPIYSGKAFERVISTDPMIFATIRPNNIQASEKDTSRSGSIESIDVSLTDLRTVIQEVVKKTADGVDLSEAKIIVAGGRGVKSKEGFQPLQELAEVLGAAVGASRGACDADYCDYALQIGQTGKVVTPDLYIACGISGAIQHLAGMSNSKVIVAINKDPEADIFKIADYGIVGDLFEVVPLLTEEFKQLNIHS 2A1T Chain:R ((20-332)) --QSTLVIAEHANDSLAPITLNTITAATRLGG--EVSCLVAGTKCDKVAQDLCKVAGIAKVLVAQHDVYKGLLPEELTPLILATQKQFNYTHICAGASAFGKNLLPRVAAKLEVAPISDIIAIKSPD---TFVRTIYAGNALCTVKCDEKVKVFSVRGTSFDAAATSGGSASSEKASSTSPVEISEWLDQKLT----RPELTGAKVVVSGGRGLKSGENFKLLYDLADQLHAAVGASRAAVDAGFVPNDMQVGQTGKIVAPELYIAVGISGAIQHLAGMKDSKTIVAINKDPEAPIFQVADYGIVADLFKVVPEMTEILKK-----

General information: TITO was launched using: RESULT: Template: 2A1T.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain R - contact count / total energy / energy per contact / energy per residue : 1741 -42325 -24.31 -136.97 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain R : 0.82 3D Compatibility (PKB) : -24.31 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_2A1T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A1T-query.scw PDB file : Tito_Scwrl_2A1T.pdb: