Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAKRAIPVRERNIVLIGFMGVGKTTIGQLVAKKLYRDFIDIDQQIEKDFNMSIPEIFEKKGEDFFRKTEKEYILDICHHKRFKIVSLGGGSFKQEEIRNCCLENCLVLHLD----LSWENWKQRADLLIESRPVLHNRSMDEMEQLFNERKVIYDKHNSKVATDNLSPEEVADYIVETLKIGWDLYQPM 3N2E Chain:B ((2-141)) -----------QHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKG--LGTTFYLKMDFETLIKRLNQKERA-----KRPLLNN--LTQAKELFEKRQALYEKNAS------------------------------

General information: TITO was launched using: RESULT: Template: 3N2E.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 535 -60456 -113.00 -444.53 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -113.00 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_3N2E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N2E-query.scw PDB file : Tito_Scwrl_3N2E.pdb: