Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTILTKLTQKDFEEILLRYSIGKYKAHEHISYALQNTVFILNT-TKG-KYVLKIFEKSEADFVKFQIRITDYLYHKKVP-VARIVKLKNGRNLLMYRNKLMAIQKFVGGNPAKKLNKELAGNLAKNLALMSKHLLKLKLKG-IF--M--WSNDHEFETNTDI-ENIE---------K---VNFVGYEKKLLEEIGKLD--------RN-NLRRSVIHGDFHEMNLLTENNELRAIIDWDDAHEDYISYEIAVYLVSYFDAVSIKRSKEYIELFFKEFQRYIKLNEEEIKAVYYFMKQ----RLIGVIFWHQNQKKIHKNFEKRLDRSMKKLITRYVALENITLDEFMQLAERKSTSQKHHRAELKNKKNLYSVIVQD 4PDY Chain:A ((23-344)) ----------IPQAVVSKYDL-AIQQRHA------DGNIEVWTDSKGRRYAAKRSSI-APAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK--DDVFGLFQAR-WRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERG--NWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLPWRIAHARYHF---AADPSQLDALQQYAVQAEKRQAFLASLRQ----------------------------------

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 : 1324 -13984 -10.56 -49.41 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -10.56 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.383

(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: