Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNRPALALDAAVVEKFQQDSKSYQINSNNSLQFRAFLFNEAGMYTKDGRELPSTVKKDDIDYSSKRNVGAGASGDVFFARLK-NGTSIALKRIPISSK-AHRDEVDRELQVFMARGDSPYVMNNYGAFWDAEDDAIVIPMEWMPYTVKDLGLFWGG-LNEALLKAVFFQVVSGLVYLHDVKRVLHRDLKPSNLLISETGHVKIADFGVS-RLIQTLAVSSTYVGTMCFMAPERLEQGMYGFSSDVWSLGLTMIGAVTGKNPWAPPEEMNLYQLLGKMANGSTPTLPKSGAFSDDVKDFVKQCLERDPDTRPTCAELLQHRFFDGVTTESAVAMVKMAVEQMTRLINNNAQKEKEVTRSQESLEKDVKAQLDKMVL 3OS3 Chain:A ((4-269)) ---------------------------------------------------------KDD-DFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQV-LHECNSPYIVGFYGAFYS--DGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMA--NSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIP----MAIFELLDYIVNEPPPKLP---VFSLEFQDFVNKCLIKNPAERADLKQLMVHAFI-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OS3.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 : 1230 -31194 -25.36 -125.28 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -25.36 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_3OS3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OS3-query.scw PDB file : Tito_Scwrl_3OS3.pdb: