Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQDSMQFAAVESGLRFYQAYDQSLSLWPIESEAFYVSTRFGKTHIIASGP--KDAPSLILLHGGLFSSAMWYPNIAAWSSQFRTYAVDIIGDKNKSIPSAAMETRADFAEWMKDVFDSLGLETAHLAGLSLGGSHIVNFLLRAPERVERAVVISPAEAFISFHPDVYKYAAELT---GARGAESY-IKWITGDSYDLHPLLQRQIVAGVEWQDEQRSLKPTENGFPYVFTDQELKSIQVPVLLMFGEHEAMYHQQMAFERASVLVPGIQAEIVKNAGHLLSLEQPEYVNQRVLSFLCGGIK 2XUA Chain:A ((7-264)) ------------------------------------AAVNGTELHYRIDGERHGNAPWIVLSNSLGTDLSMWAPQVAALSKHFRVLRYDTRGHGHSEAPKG-PYTIEQLTGDVLGLMDTLKIARANFCGLSMGGLTGVALAARHADRIERVALCNTAARIGSPE-VWVPRAVKARTEGMHALADAVLPRWFTADYMEREPVVLAMIRDVFVHTDKE-GYASNCEAIDAADLRPEAPGIKVPALVISGTHDLAATPAQ-GRELAQAIAGARYVEL-DASHISNIERADAFTKTVVDFLTE---

General information: TITO was launched using: RESULT: Template: 2XUA.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 : 1562 -160127 -102.51 -635.42 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -102.51 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_2XUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XUA-query.scw PDB file : Tito_Scwrl_2XUA.pdb: