Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MSFLSKNGAGILACLLIS------ILSWYLGG-FFPVIG-----APVFAIFIGMLLHPFLSSYKQLD--AGLTFSSKKLLQYAVVLLGFGLNIS--QVFAVGQSSLPVILSTISIALIIAYLFQRF---FALDTKL------ATLVGV-------GSSICGGSAIAATAPVIHAKEKEVAQAI-----SVIF----FFNVLAALIFPTLGTWLHLSNEGF-AL-------------FAGTAVNDTSS----VTAAASAWDSLYQSNTLESATIV--KLTRTLAIIPITLFLSYWQSRQQENKQSLQLKKVFPLFILYFILASLLTTLLT------SLGVSSSFFTPLKQLSKFLIVMAMSAI------GLKTNLVAMVKSSGKSI------LLGAICWIAII--------------------------------LTTLGMQTLIGIF----------------------- 5CX8 Chain:A ((10-481)) DFQQPYTSFVQTKQNRDGLYALLRNTENPRMHFYQELQSDMYCTTITDGNSLAPFVNWDLGILNDHGRADEDEVSGIAGYYFVYNRLNQQANAFVNNTEAALQNQVYKNSTEIANAKSFLAEGKVLQALAIWRLMDRFSFHESVTEVNSGAKDLGVILLKEYNPGYIGPRATKAQCYDYILSRLSEAIEVLPENRESVLYVSRDYAYALRARIYLALGEYGKAAADAKMVVDKYPLIGAADASEFENIYRSDANNPEIIFRGFASATLGSFTATTLNGAAPAGKDIKYNPSAVPFQWVVDLYEN--EDFRKSVYIAKVVKKDKGYLVNKFLEDKAYRDVQDKPNLKVGARYFS----VAEVYLILVESALQTGDTPTAEKYLKALSKARGAEVSVVNMEALQAERTRELIGEGSRLRDMVRWSIPNNHDAFETQPGLEGFANTTPLKAQAPVGFYAYTWEFPQRDRQTNPQLIKNWPI

General information: TITO was launched using: RESULT: Template: 5CX8.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 : 1388 -59086 -42.57 -179.05 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -42.57 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.124

(partial model without unconserved sides chains): PDB file : Tito_5CX8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CX8-query.scw PDB file : Tito_Scwrl_5CX8.pdb: