Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSAHNKNETTFQRSMKSRHLFMLSLGGVIGTGLFLSSGYTIQQAGPAGTILAYLVGAGIVYLVMLCLGELSVAMPVTGAFHTYAAKYIGPGTGFTVAWLYWL-TWTVALGSEFTAAGLLMQRWFP---HTSVWMWSAVFALFIF-LLNAFSVKFFAESEFWFSSIKVLAIVLFILLGGSAMFGIIPIKGGEAAPMLSNFTAEGGLFPNGFVPILMTMLSVNFAFSGTELIGIAAGESVDPDKTIPKAIKTTVWRLSLFFVGTIFVLSGLIPIQDAGVIKSPFVAVFDRVGVPYAADIMNFVILTAILSAANSGLYASSRMLWSLSKEKTLHPTFAKLTSKGTPFNALVFSMIGGILSLLS-SVFAPDTV--YVVLVSISGFAVVVVWMGIAASQFMFRKRYIEAGNKVTDLKYRTPLYPFVPIAAFLLCLASVVGIAFDPNQRIALYCGVPFMAICYAIYYVKNRKSQPAADMTHSK 3NCY Chain:A ((21-404)) --------------------------GNIMGSGVFLLPANLAATGGIA--IYGWLVTIIGALALSMVYAKMSSLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGNIAMVVIGVGYL-SYFFPILKDPLVLTLTCVAVLWIFVLLNIVGPKMITRVQ---AVATVLALVPIV---GIAVFGWFWFKGE--------WNVSG---MNTFGAIQSTLNVTLWSFIGVESASVAAGVVKNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPNAALRVSASPFGDAARMALGDTAGAIVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIFAR-----TPVAGLL--IVGVLMTIFQFSSMSPNAAKEFGLVSSVSVIFTLVPYLYTCAALLLLGHGHFG--------KAR-PLYLLITFVAFVYCIWAVIG------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NCY.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 : 1922 -293666 -152.79 -802.36 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -152.79 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.365

(partial model without unconserved sides chains): PDB file : Tito_3NCY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NCY-query.scw PDB file : Tito_Scwrl_3NCY.pdb: