Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDVIISTSRNPRHARSKPAFPVVYSTLSPQALVEQVLSNYSIEPITNCLLWNRGLSDVYLVET-EQE-YYVLRVSHHHWRSRLDIEFELELLDFLYQNSLP-VAYPLRTRADDLFVTVEALEGDRYAALFPYAKGTVPLGDLTIAQSEIFGRSLAKLHQIGTKFRPSHHSLILEKLTNKTLSLEYLLDHSLTTIAPFL---E----ERP------EDLKYLRDNITQIKAELKI------LPRQSPLWTACWGDPHSGNIHFTEDNQITLFDFDQCGYGWRAFDIAKFLQVSLR-AGMNRKIRDAFFEGYQTVQKLTSEEEDCLQALTQTA-HIWAWAININASVIHCWSRLDYRYFSKRLETLKRLNSPDWQLF 4PDY Chain:A ((21-310)) ------------------------------PLIPQAVVSKYDLAI-QQR-----HADGNIEVWTDSKGRRYAAKRSSIA---PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHG----DFTYYVTEWVSGQPAN-FGLPEHVAQTAYTLAQFHEATRSFRTDWK-----------DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLPWRIAH------------------------------------

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 : 1101 -2667 -2.42 -10.22 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -2.42 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.436

(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: