Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKQKIETSIYRRKIMEQKWWHHSVVYQIYPRSFQDSNQDGIGDLRGIISRLDYLAYLGIDAIWLSPVYESPNDDNGYDISNYQAIMAEFGTMEEMEELIEEAKKRNIRIIMDLVVNHTSDEHPWFIEARKNKENPYRDYYIWRDPVNGKEPNRLRSIFSGSAWQLDEKTGQYFLHLYSKRQPDLNWKNKQVRQEIYQMMNFWIDKGIGGFRMDVIDMIGKEPD------------KEITSNGPKLHEYLQEMNQATFGDKNLMTVGETWGATTEIAKLYSNPKRNELSMVFQFEHIGLDQQEGKDKWDLKPLSISELKKVLSKWQTSLGDEGWNSLFWNNHDLPRIVSRWGND-DVYRKESAKMFAILLHMMKGTPYIYQGEELGMTNCPIDDIAEAKDIETINMYNERISSGFTK-EEILESIKAKGRDNARTPMQWNAREHAGFTTGIPWLRVNPNYKEINAEEALADQDSVFYMYKKLIDLRRKHDIIVWGDYELVEKTPEHVFAYSRIYEDQQWLVICNMSSEKQTFTIPREAL--RVIVSN--YPLKQLPDGKVDLRPYEAFVLEVK 4HOX Chain:A ((6-557)) -------------------WWKQAVFYQVYPRSFKDTNGDGIGDLNGIIENLDYLKKLGIDAIWINPHYDSPNTDNGYDIRDYRKIMKEYGTMEDFDRLISEMKKRNMRLMIDIVINHTSDQHAWFVQSKSGKNNPYRDYYFWRDGKDGHAPNNYPSFFGGSAWEKDDKSGQYYLHYFAKQQPDLNWDNPKVRQDLYDMLRFWLDKGVSGLRFDTVATYSKIPNFPDLSQQQLKNFAEEYTKGPKIHDYVNEMNREVLSHYDIATAGEIFGVPLDKSIKFFDRRRNELNIAFTFDLIRLD-RDADERWRRKDWTLSQFRKIVDKVDQTAGEYGWNAFFLDNHDNPRAVSHFGDDRPQWREHAAKALATLTLTQRATPFIYQGSELGMTNYPFKKIDDFDDVEVKGFWQDYVETGKVKAEEFLQNVRQTSRDNSRTPFQWDASKNAGFTSGTPWLKINPNYKEINSADQINNPNSVFNYYRKLINIRHDIPALTYGSYIDLDPDNNSVYAYTRTLGAEKYLVVINFKEEVMHYTLPGDLSINKVITENNSHTIVNKNDRQLRLEPWQSGIYKL-

General information: TITO was launched using: RESULT: Template: 4HOX.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 : 3058 50184 16.41 93.98 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : 16.41 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_4HOX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HOX-query.scw PDB file : Tito_Scwrl_4HOX.pdb: