Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVEQNEFLSQVQLQILAEQAIKQYPSDYQGQVKLLCQSENATYQVST-GSA-RYALRIHRPNYHSKLDIQSELEWLDALNASGIQ-VPVAIADQSGERVITLKLSNDIYRYAVLFNWVEGDMPTVEVDPTAFEQLGQITAKLHAHSKTWQAPENFQRIVWN--HETMVGADGHWGNWKNA-PHLRPQ------DHGVIEEAIAQISKDLNF------FGKTQERYGLIHADLRLTNLLLQQE-RIGVIDFDDCGMSWFMHDLAAAISF-NEHYANAPHWVDYWLKGYERVGHIQSEEYEMIPTFIMQRRIQMMAWNGSHAQTEMAQSLGDQWSNETVRLCKKYLNGQMPVGI 4PDY Chain:A ((19-304)) ------------QAPLIPQAVVSKYDLAIQ-QR-----HADGNIEVWTDSKGRRYAAKRSSIA---PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRH-----GDFTYYVTEWVSGQPANFG-LPEHVAQTAYTLAQFHEATRSFRTDWK---DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYL------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 1103 -15907 -14.42 -60.95 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -14.42 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.314

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: