Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAKRAIPVRERNIVLIGFMGVGKTTIGQLVAKKLYRDFIDIDQQIEKDFNMSIPEIFEKKGEDFFRKTEKEYILDICHHKRFKIVSLGGGSFKQEEIRNCCLENCLVLHLDLSWENWKQRADLLIESRPVLHNRSMDEMEQLFNERKVIYDKHNSKVATDNLSPEEVADYIVETLKIGWDLYQPM 2PT5 Chain:A ((3-161)) -------------IYLIGFMCSGKSTVGSLLSRSLNIPFYDVDEEVQKREGLSIPQIFEKKGEAYFRKLEFEVLKDLSEKENV-VISTGGGLGANEEALNFMKSRGTTVFIDIPFEVFLERCKDSKE-RPLLK-RPLDEIKNLFEERRKIYSKADIKVKGEK-PPEEVVKEILLSL----------

General information: TITO was launched using: RESULT: Template: 2PT5.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 : 759 -97650 -128.66 -614.15 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -128.66 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_2PT5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PT5-query.scw PDB file : Tito_Scwrl_2PT5.pdb: