Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVILSDLLNRMNKSNRIQTAELDWESIDGIEVPISKQFGDVYFSKDNGLLETRHVFLNGNDLSERLANLQDFEYFSVGETGFGTGLNILALWQLWQQVRPNNHS----HLHAISVEKFPLSKADLIRALNVWDELKPLSKQLIEQYPLPLAGCHRLSFPEERFSIDLWLGDAQDIFPSMVKT--KAVNAWFLDGFAPSCNPDMWEQNVLNNIVRLSDYGTTFASFSVAGVLKRGLKTHGIDISRPRGFGHKREMLKAVWKAPVSEEILLEPVS----DTFHFTQQRIAVIGAGIAGLSTAWAFAQRGHQVTLF-ERTAPLSGASGNPLALLNPKPCPIEQSHEHLMTLSWQHALNFYKNFQAFRPIQIQQMALKNAQDLLDLADQY----------PADI-------VTQQTSSLESDYPHILLTEAGAVSPHQLRDEIL---QHQGIELKIANITTLISFENKVQLKSGNETTLGADHVVVCCARESAALFENYPLLK--PIRGQVSWVDNSFATLPLNEAYSYGGYCIQLNASEL--ILGASFYPSRDDQEVLIDDHVHNFELIHSVFP--HYAKQLPPVEQWQGRASVRAQSPDYFPLVGKM---------------QKESPIST--------FAGLGSKGFLFAPLCSEVLVAQILGEACPVPKSLLQKLDAQRFQKKVKPKKPYFKSQ 3AWI Chain:C ((55-674)) ------------------------------------------------LEETRYVFLGGNQLEVRFPE-HPHPLFVVAESGFGTGLNFLTLWQAFDQFREAHPQAQLQRLHFISFEKFPLTRADLALAHQHWPELAPWAEQLQAQWPMPLPGCHRLLLDEGRVTLDLWFGDINELTSQLDDSLNQKVDAWFLDGFAPAKNPDMWTQNLFNAMARLARPGGTLATFTSAGFVRRGLQDAGFTMQKRKGFGRKREMLCG-----VMEQTLPLPCSAPWFNRTGSSKREAAIIGGGIASALLSLALLRRGWQVTLYCADEAPALGASGNRQGALY----PLLSKHDEALNRFFSNAFTFARRFYDQLPVKFDHDWCGVTQLGWDEKSQHKIAQMLSMDLPAELAVAVEANAVEQITGVATNCSGITYPQGGWLCPAELTRNVLELAQQQGLQIYYQYQLQNLSRKDDCWLLNFAGDQQATHSVVVLANGHQISRFSQTSTLPVYSVAGQVSHIPTTPELAELKQVLCYDGYLTPQNPANQHHCIGASYHRGSEDTAYSEDDQQQNRQRLIDCFPQAQWAKEV-DVSDKEARCGVRCATRDHLPMVGNVPDYEATLVEYASLAEQKDEAVSAPVFDDLFMFAALGSRGLCSAPLCAEILAAQMSDEPIPMDASTLAALNPNRL--------------

General information: TITO was launched using: RESULT: Template: 3AWI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2987 -7300 -2.44 -13.04 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain C : 0.74 3D Compatibility (PKB) : -2.44 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_3AWI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AWI-query.scw PDB file : Tito_Scwrl_3AWI.pdb: