Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQEQKWWKEAVGYQIYPASFKDSNGDGQGDINGIREKLNYLKDLGIGFIWINPIYQSPFVDNGYDVSDYQDIEERFGTMEDFDLLLKEAHELGIKVIMDLVINHSSDQHQWFEESKKSKESPYRDYYIWVDGVDGKEPNNWTSIFGGSAWEYSHETGQYYLHVFAKEQPDLNWESEKLKEELFNMIRWWLDKGIDGFRLDAISHVKKDEYSVKATENPFSPFQNVSGIEEHLTDL-KHVFEEYDIMTVGEASGVTAEEGPQWVGKDGY-FDMIFEFDHIHIWQQEKEGQ-----LDVLKLKLALSAWQTSLD-GIGWNALYMENHDVPRAVSVFGDTRPDFWAMSAKAIAMMYFFLQGTPFIYQGQEIGMTNMPFESIDQVDAVDSKRLYKRLLAEGKTREEALDIIRETTRDNSRTPMQWTSEQYAGFSTHEPWLITNPNTKTINVEQQEYEPESVLQFYKNMIRIRQTNKGLIYGSYKEYLHEHPQLYVYERYLEDEQYLIMVNLTESLADYELPKEADQSWTLLLSNSSSGEFEAKGILAPYEARLYKTNK 4AIE Chain:A ((6-539)) ------WWKNAVVYQVYPKSFQDSNGDGIGDLQGIISRLDYLEKLGIDAIWLSPVYQSPGVDNGYDISDYEAIDPQYGTMADMDELISKAKEHHIKIVMDLVVNHTSDQHKWFVEAKKGKDNQYRDYYIWRDPVDEHEPNDLKSAFSGSAWKYDERSGQYYLHFFADQQPDLNWQNTELRQKIYNMMNFWLDKGIGGFRMDVIELIGKDPDKNIRENGPM--------LHPYLQEMNKATFGKRDVMTVGETWNATPKIAEEYSDPDRHELSMVFQFENQSLDQQPGKEKWDLKPLDLGELKKVLVKWQTKIDFDHAWNSLFWENHDIPRVISRWGNDQ-EYRVQCAKMFAIILHMMHGTPYIFNGEEIGMTNCPVKNIDEVEDIESINMYNERLAEGYDEEELIHAINVKGRDNARRPMQWNDEKNAGFSEVDPWLSVNPNYKDINVENALADPNSIFYTYQKLIKLRHENPIVVDGDFSLVSNTQDAVLAYYRILNDKKWLVVANLSNEEQNF---VSNDQIET-ILSNYPERNNVQNITLKPYEAFISKV--

General information: TITO was launched using: RESULT: Template: 4AIE.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 : 3009 -15800 -5.25 -30.04 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -5.25 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_4AIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AIE-query.scw PDB file : Tito_Scwrl_4AIE.pdb: