Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRLETMKVVAQEEIAPAIFELVLE-GEMVEAMRAGQFLHLRVPDDAHLLRRPISISSIDKANKQCHLIYRIEGAGTAIFSTLSQGDT-LDVMGPQGNGFDLSDLDEQNQVLLVGGGIGVPPLLEVAKELHERGVKVVTVLGFANKDAVILKTELAQYG-QVFVTTDDGSYGIKGNVSVVINDL---DSQFDAVYSCGAPGMMKYINQTFDD-HPRAYLSLESRMACGMGACYACVLKVPESETVSQRVCEDGPVFRTGTVVL 5JCA Chain:S ((6-256)) ----MMFKILRKERLAPGINLFEIESPRIAKHAKPGQFVMIRLHE--KGERIPLTIADVDISKGSITIVAQEVGKTTRELGTYEAGDYILDVLGPLGKPSHIDY---FGTVVMIGGGVGVAEIYPVAKAMKEKGNYVISILGFRTKDLVFWEDKLRSVSDEVIVTTNDGSYGMKGFTTHALQKLIEEGRKIDLVHAVGPAIMMKAVAELTKPYGIKTVASLNPIMVDGTGMCGACRVTVGG---EVKFACVDGPEFDAHLVDW

General information: TITO was launched using: RESULT: Template: 5JCA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1443 -31245 -21.65 -128.05 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain S : 0.76 3D Compatibility (PKB) : -21.65 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_5JCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JCA-query.scw PDB file : Tito_Scwrl_5JCA.pdb: