Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIAVIGLGNMGQPIARNVLQAGYELTVYNRTKQKTEDLVTEGAQAADTPRLAAKSADIVITMLADDDSVSTVTFGEDGLLEGLAENGIHISMSTISVEFSEKLAAAHAEKGQFFLAAPVLGRPDAAAKAALRIITAGPAEAKQAAKPLLDSLSQQIFDVGEESKTANAAKISINFLLVSMLEALSESFLMMEKYGLEQKQFLE-IASALFGSPVYQNYGTIMAEQKFEPAGFKMSLGLKDTNLALAAAKRVSANLPLAELAKSHFESGIEKGFGDLDWAALIKCIK 4GBJ Chain:A ((7-285)) -KIAFLGLGNLGTPIAEILLEAGYELVVW-------EPLTKLGATVVENAIDAITPGGIVFSVLADDAAVEELFSME--LVEKLGKDGVHVSMSTISPETSRQLAQVHEWYGAHYVGAPIFARPEAVRAKVGNICLSGNAGAKERIKPIVENFVKGVFDFGDDPGAANVIKLAGNFMIACSLEMMGEAFTMAEKNGISRQSIYEMLTSTLFAAPIFQNYGKLVASNTYEPVAFRFPLGLKDINLTLQTASDVNAPMPFADIIRNRFISGLAKGRENLDWGAL-----

General information: TITO was launched using: RESULT: Template: 4GBJ.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 : 1409 -184908 -131.23 -682.32 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -131.23 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_4GBJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GBJ-query.scw PDB file : Tito_Scwrl_4GBJ.pdb: