Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTFIKRLEDAYETLLGNYPAGVSSTSTSKYNEIRKIVSEAFLIGE--NEVYVTGTS--RRISNLDTRFAQGNQRNKHTRMAVAFISIPSVDDSELDELIIRTRNSAITTSSKFCNGEERGTIFDGILLFLVFEGETKVYPLAFLVFENDFELKEKAEELIPGIELKEYPRANQSPAQENNKSAKNEDEESAKSYVVFLDIEEDGSIVEFVEDKDKTYRIGDMIWTASHTNGSSAITRRLEVIEVVENLVVCKIKHKYNEPVDKNSLLKFVNIEQDLISFLDLHPNVQNGSEGFVSGDIVDENATTSSDDLPEDFENN 4NEW Chain:A ((316-385)) ---------------------------------RTNVSNIYAIGDVTNRVMLTPVAINEAAALVDTVFGTTPRKTDHTRVASAVFSIPPIGTCGLIEEVASKR----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NEW.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 : 120 -1035 -8.63 -15.68 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -8.63 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.59 QMean score : -0.016

(partial model without unconserved sides chains): PDB file : Tito_4NEW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NEW-query.scw PDB file : Tito_Scwrl_4NEW.pdb: