Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAKRAIPVRERNIVLIGFMGVGKTTIGQLVAKKLYRDFIDIDQQIEKDFNMSIPEIFEKKGEDFFRKTEKEYILDICHHKRFKIVSLGGGSFKQEEIRNCCLENCLVLHLDLSWENWKQRADLLIESRPVLHN-RSMDEMEQLFNERKVIYDK-HNSKVATDNLSPEEVADYIVETLKIGWDLYQPM 2IYV Chain:A ((2-170)) ----------APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSL-GGGAVTSPGVRAALA-GHTVVYLEISAAEGVRRTGGNT-VRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPS------

General information: TITO was launched using: RESULT: Template: 2IYV.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 : 779 -80469 -103.30 -481.85 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -103.30 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_2IYV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IYV-query.scw PDB file : Tito_Scwrl_2IYV.pdb: