Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASIDNESIIKSVPQKGFFGHPRGLFTLFFTEFWERFSYYGMRAILLYYLYTETVNGGLGFDKGTAVAIMSIYGSLVYMSTIIGGWLADRVFGTANTVFYGGIFIMFGHIALAYPGSSIAFYISMV-LIIVGTGLLKPNVSSVVGDLYTKEDPRRDSGFSIFYMGINLGG----LLAPLIV----GTLGQKYNYHLGFGAAAVGMLLGLIVFALTRKKNLGLAGSNVPNPLSKKSAIGTGIGVI--IVAIAVIISVQTGVLTIKRFIDLVSILGILIPVIYFIIMFTSKKADKTEKSRLAAYVPLFIGAVMFWAIQEQGATILAVYADERIRLSLGGFELQSSW----FQSLNPLFVVIFAPIFAW--LWMKLGKRQPSTPVKFSIGIILAGLSFIIMVFP---AMQGKEALVSPLWLVLSFLLVVLGELCLSPVGLSVTTKLAPAAFSAQTMSMWFLTNAAAQAINAQVAGLFDKIPE------------TMYFGTIGLISIVLGGILLLLSPVIKRAMKGVL 4LEP Chain:A ((12-490)) ----------------------HSFMTVSLIELWERFGYYGMQALIVYFMVQR-----LGFDDSRANLVWSACAALIYVSPAIGGWVGDKILGTKRTMLLGAGILSVGYALMTVPTENTWFMFSALGVIVVGNGLFKPNAGNLVRKIYEGDDSKIDSAFTIYYMAVNVGSTFSMLLTPWIKDYVNAQYGNEFGWHAAFAVCCVGILVGLGNYALMHKSLANYG-------VNKKSLAIVLALAALSVVASAIILEYED-VARVFVYAAGVAVLGIFFHLI--------R---PSERAGLIAALILTVQTVFFFIFYQQMSTSLALFALRNVDWDF------WTWSPAQFQALNPIWIMVLSPVLAWSYSW------DFSIAAKFALGFAVVAIGFFIYGFAGQFAVNGKTSSWVMIWGYASY---SLGELLVSGLGLAMIARY------GFMMGAYFVASGISQYLGGVVAN-FASVPQDLVDPLQTLPVYTNLFNKLGVAAVVCTIIALAVLPLMRR------

General information: TITO was launched using: RESULT: Template: 4LEP.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 : 2101 -360135 -171.41 -861.57 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -171.41 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.312

(partial model without unconserved sides chains): PDB file : Tito_4LEP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LEP-query.scw PDB file : Tito_Scwrl_4LEP.pdb: