Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVFTPLERSTLEAFLAPYDLGRLRDFRGIAEGSENSNFFVSLEHGEFVLTLVERGPVQDLPFFIELLDVLHEDGLPVPYALRTRDGEALRRLEGKPALLQPRLAGRHERQPNAHHCQEVGDLLGHLHAATRGRILERPSD--RGLPWMLEQG----ANLAP-----------RLP----EQ---ARALLAPALAEIAAL---DA--ERPALPRANLHADLFRDNVLFDGPHLAGLIDFYNACSGWMLYDLAITLNDWCSNTDGSLDPARARALLAAYANRRPFTALEAEHWPSMLRVACVRFWLSRLIAAEAFAGQDVLIHDPAEFEIRLAQRQNVEIHLPFAL 2Q83 Chain:A ((22-305)) ----------LAENVLQGWDV-QAEKIDVIQ----ALVWKVHTDSGAVCLKRIHR-PEKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKD-RLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTT-GVWDDETFNVMLNAYESRAPLTEEQKQVMFIDMLF-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q83.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 : 967 -72106 -74.57 -287.27 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -74.57 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_2Q83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2q83-query.scw PDB file : Tito_Scwrl_2Q83.pdb: