Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPELQRSITWIQGTALTIGAVLGCGILILPSVTADTAGPASLFVWVFMSFLSFFLVGTLARLVKIAPSAGGITAYVQLAFQKKAG---AILGWIMLGSVPIGVPIIALTGAHYVSYITE--AADWQITLIAGCMLAISILLHMRGIQLSANISTLVICVIVFLLVTSIAVSLPHVTIAEFKPFLPHG-----WSAAG---SVSVMIFFSFVGWEMITPLAEEFHRPEKDVPLS----LFLAASCVAGLYIMLSFVTVGTHSYGENGEIASLAMLISKGAGESGVYVTVCLALFITFATIHANIAGFSRMVYALAREGHIPVFFGKLSATKRTPIRVLTAMAAVFGLVLAAHGLFQIDLTTLLKGPSAAFIASYICTMAAALKLLGRRDIGWWMALGAFVACAVIYSFSGWALLYPAVLAAAGYFYMKTKGGHKKKLDHVL 3L1L Chain:A ((16-238)) --------------TLMVSGAIMGSGVFLLPANLASTGGIA-IYGWLVTIIGALGLSMVYAKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWL---ACWIGNIAMVVIGVGYLSYFFPILKDPWVLTITCVVVLWIFVLLNIVGPKMITRVQA----------VATVLALIPIVGIAVFGWFWFRGETYMA-----AIQSTLNVTLWSFIGVESASVAAGVVKNPKRNVPIATIGGVLIAAVC----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3L1L.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 : 636 -99003 -155.66 -507.71 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -155.66 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.099

(partial model without unconserved sides chains): PDB file : Tito_3L1L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3L1L-query.scw PDB file : Tito_Scwrl_3L1L.pdb: