Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIYTVTLNPSVDYIVHVEDFTVGGLNRS---SYDTKYPGGKGINVSRLLKRHHVASKALGFVGGFTGEYIKTFLREEN--LETAFSEVKGDTRINVKLKT-G--DETEINGQGPTISDEDFKAFLEQF-QSLQEGDIVVLAGSIPSSLPHDTYEKIAEACKQQNARVVLDISGEAL---LKATEMKPFLMKPNHHE-LGEMFGTAI-TSVEEAVPYGKKLVEQGAEHVIVSMAGDGALLFTNEAVYFANV-PKGKLVNSVGAGDSVVAGFLAGIS-KQLPLEEAFRLGVTSGSATAFSEELG--TEEFVQQLLPEVKVTRL 2AJR Chain:A ((13-330)) MVLTVTLNPALDREIFIEDFQVNRLYRINDLSKTQMSPGGKGINVSIALSKLGVPSVATGFVGGYMGKILVEELRKISKLITTNFVYVEGETRENIEIIDEKNKTITAINFPGPDVTDMDVNHFLRRYKMTLSKVDCVVISGSIPPGVNEGICNELVRLARERGVFVFVEQTPRLLERIYEGP-EFPNVVKPDLRGNHASFLGVDLKT-FDDYVKLAEKLAEKS-QVSVVSYEVKNDIVATREGVWLIRSKEEIDTSHLLGAGDAYVAGMVYYFIKHGANFLEMAKFGFASALAATRRKEKYMPDLEAIKKEYDHFTVERV

General information: TITO was launched using: RESULT: Template: 2AJR.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 : 1789 -168540 -94.21 -561.80 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -94.21 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_2AJR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AJR-query.scw PDB file : Tito_Scwrl_2AJR.pdb: