Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTELHSLVFDTLSHDQQVARLHELARHALQQWDGEFADIELVKFRENAVFSARRHDGQRVALRIHRNGYHSQAALRSELQWMEALADAGITVPPIIRAQNQSHLVEVTHQAIGEPRHIDMLAWLPGATAGTSENGVQADTEIDFLFSEAGAIAARIHLHSAHWQQPDEF----VRHAWDEE--GLIGANPFWGRFWELEQLSDE---QRDLLQQARRTARKDLRQY---------GRHLGNFGMIHADLVPENLLIE-GPRLRLIDFDDAGFGWHMFELATALYFCLDD--PRYEQIKVALLDGYNAVKPLTEADRKTLALFLMLRGTTYLGWIHTRQGTPTAIEMAPMLIERACLLAREYLQV 2Q83 Chain:A ((16-308)) -----------------AKKLTELAENVLQGWDVQAEKIDVIQ---ALVWKVHTDSG-AVCLKRIHRPE---KKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKH------GSFLFVVYDWIEGRPFELT---------VKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFIDMLFPYE------------------------------------

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 : 1046 -83404 -79.74 -311.21 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -79.74 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.363

(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: