Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIESQAPMLEMLWEPHDPRHALAERFGFSDSESASRWVAAMLDEHWGIRIDSCERILMSGGNALAWV-GTPSG-RLLAKWSVVLDCFPRLMETARLTNWLHGRGLP-VSVPVPTRDGCLQVEVDRVSMGLQREIVGDLLDTGDLNQVRAAGVILAQLQDALAAYPDADQFLAPVVS---SKPLTVRVTDWL---DS--RA-----------DHLPMAARDTLRGLVAS------APPDRLPRQLVHFDIRSANILWACGGVAAILDFEEAQHDHRIVELARAAVLLGTRYHNWGPVSADVRTEFLTGYQSERLLTPAEAGWLHIVLLWQALAMVPPGDDPTGWGPSALSQLSQETAR 4PDY Chain:A ((22-302)) ------------------------------------LIPQAVVSKYDLAI-QQ---RHA--DGNIEVWTDSKGRRYAAKRSSIAP--AHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK---DDVFGLFQARW-RDLRQMWLGADRKREKDAFDQLLLSMRDELHR-DAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERG----NWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFP----------------------------

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 : 1006 -26914 -26.75 -108.52 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -26.75 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.292

(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: