Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDTRQALEKDVRDNLLLLYDFDKDYDVKLLKYSENVIFKITFKEAFPVVLRIHRPGYHNIEELEGEILWMDEIHRDTDVELPVVYRGRDGRFLQKMTTFSGEEVYVSVISFLEGSPLGELKDDELIKGLESLGEITAKLHMQSINRDKSVVI----KRFYWDINN--LFGDNNDGIWGSWRD---YKALT----KEQYRILE---KCTSVMKD-KLNYY-GRSNEKFGLIHADLHFYNVINNNG-VNQIIDFDDSGYGFYMYDMGCALVTY--S--RNLTKLEGAWVRGYEKVKKLSDEDKKFIPMFVLLRRITRLAWLATHSDSDTAKTVDDEYLDVTIDMAKEWLKANTKVAVITGAAGGIGYGIAKKFLESCK 2Q83 Chain:A ((20-306)) ---------TELAENVLQGWDVQAE-KIDVIQ---ALVWKVHTDSG-AVCLKRIHRP---EKKALFSIFAQDYLAKK-GMNVPGILPNKKGSLYSK-----HGSFLFVVYDWIEGRPFEL-T--V-KQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQM--ETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFIDMLFP-----------------------------------------------------------------

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 : 1010 -74969 -74.23 -288.34 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -74.23 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.231

(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: