Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFELTKEQQMVREMVKDFAKKEIAPHAEHVDQTGEFPMQTFKKMGELGLMGIPFPEEYGGSGGDTISYALAVEEVGKACGSTGLSYAAAVSLGASPLYYFGTEEQKQTHLTPLASGTALGSFGLTEPNAGSDAGGTQTKAISNGDEYVINGEKCWITNASYARTVIVTAVTGKNKDGKNIISALIVPTDTPGLTITSPYDKMGVRGSNTAEILLEDVRVPAANLLGDPTKGFKQFLYTLDGGRISIAALAVGIAQAALDASLAYAKERKQFGQPISSFQAIQFKLADMAMEIDLARQMVLKAAWLKDHNRPFTKEAAYAKLFASEMATRACNQAIQIHGGSGYMKEYGVERMLRDAKLMEIGEGTSEIQRLVIARQLLK 4U83 Chain:A ((10-382)) ----LTDTQEQIREAARDFAQERLAPGAAARDREHAFPRAELTEMGALGFLGMLAPEEWGGSDLDMVAYALALEEIAAGDGACSTIVSVHSSVGCMPILRFGTEDQKRRFLPKMACGEWIGGFALTEP--------LKTRARLDGDHYVIDGSKQFITSGKNGNVVIVFAVTDPAA-GKKGISAFIVPTDTPGYEVMSVEHKLGQHSSDTCALGFTNMRVPVENRLGAEGEGYKIALANLEGGRIGIAAQAVGMARAAFEAARDYARERITFGKPIIEHQAVAFRLADMATRIETARQMVLHAAALREAGKPCLTEASMAKLVASEMAEQVCSAAIQIHGGYGYLADYPVERIYRDVRVCQIYEGTSDVQRLVIARGL--

General information: TITO was launched using: RESULT: Template: 4U83.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 : 2190 -181115 -82.70 -496.20 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -82.70 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_4U83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U83-query.scw PDB file : Tito_Scwrl_4U83.pdb: