Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVEQNEFLSQVQLQILAEQAIKQYPSDYQGQVKLLCQS-ENA--TYQVSTGSARYALRIHRPNYHSKLDIQSELEWLDALNASGIQ-VPVAIADQSGERVITLKLSNDIYRYAVLFNWVEGDMPTVEV-DPTAFEQLGQITAKLHAHSKTWQAPENF----QRIVWNHETMVGAD-GHWGNWKNAPH----LR---PQDHGVIEEAIAQISKDLNFFGKTQERYGLIHADLRLTNLLLQQE-RIGVIDFDDCGMSWFMHDLAAAISFNEHYANAPHWVDYWLKGYERVGHIQSEEYEMIPTFIMQRRIQMMAWNGSHAQTEMAQSLGDQWSNETVRLCKKYLNGQMPVGI 3I1A Chain:B ((7-293)) ------------QAQQLIELLKVHYGIDI-HTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYH---D--EINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQL-----KHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWR--EIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV----DKTILSYYRHERIVEDIAVYG-----------------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1063 -16108 -15.15 -59.88 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -15.15 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.312

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: