Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNRPALALDAAVVEKFQQDSKSYQINSNNSLQFRAFLFNEAGMYTKDGRELPSTVKKDDIDYSSKRNVGAGASGDVFFARLK-NGTSIALKRIPISSK-AHRDEVDRELQVFMARGDSPYVMNNYGAFWDAEDDAIVIPMEWMPYTVKDLGLFWGG-LNEALLKAVFFQVVSGLVYLHDVKRVLHRDLKPSNLLISETGHVKIADFGVS-RLIQTLAVSSTYVGTMCFMAPERLEQGMYGFSSDVWSLGLTMIGAVTGKNPWAPPE-EMNLYQLLGKMANGSTPTLPKSGAFSDDVKDFVKQCLERDPDTRPTCAELLQHRFFDGVTTESAVAMVKMAVEQMTRLINNNAQKEKEVTRSQESLEKDVKAQLDKMVL 3WIG Chain:A ((4-269)) ---------------------------------------------------------KDD-DFEKISELGAG---VVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQV-LHECNSPYIVGFYGAFYS--DGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMA--NSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPP-PPMAIFELLDYIVNEPPPKLP-SGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFI-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WIG.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 : 1237 -14469 -11.70 -57.65 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -11.70 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_3WIG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WIG-query.scw PDB file : Tito_Scwrl_3WIG.pdb: