Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKRPKCSIVKSVASRYLENIISVEPVHKGTSTFVYRLITETGIFYI-RFLPEK-ASFASEVLVHNTLYELDVKVPKVIAFEHKD---KETNLSVMIIEEIAGICLEDSDSQLDFKEILRNAGKQLALIHTISVDGFGWIDKSSHIKLKGENQRFEDYFNLYLENDLQ---AL--CKYSF--------SNEEIKQIRRLMISA------G-SILNVEKAVLVHGDFDISHIFHKDGRYTGIIDFGEVRGNNRLYDLATFA-GFYQ-----DRKLYSYLLKGYCEITPLSARDLYATELMALFIILRFLGKKVNTKFSNHWFKLAKKQLNHINNLDNVEQLLDITRH 2Q83 Chain:A ((22-301)) ---------LAENVLQGWDVQAEKIDVIQ----ALVWKVHTDS-GAVCLKRIHRPEKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTV-----KQDLEFIMKGLADFHTASVGYQPPNGV-PI---FTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFI------------------------------------------------

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 : 958 -8695 -9.08 -35.49 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -9.08 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.349

(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: