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

General information: TITO was launched using: RESULT: Template: 3ORN.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 : 1250 -13301 -10.64 -52.37 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -10.64 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_3ORN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ORN-query.scw PDB file : Tito_Scwrl_3ORN.pdb: