Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNRPALALDAAVVEKFQQDSKSYQINSNNSLQFRAFLFNEAGMYTKDGRELPSTVKKDDIDYSSKRNVGAGASGDVFFARLK-NGTSIALKRIPISSK-AHRDEVDRELQVFMARGDSPYVMNNYGAFWDAEDDAIVIPMEWMPYTVKDLGLFWGG-LNEALLKAVFFQVVSGLVYLHDVKRVLHRDLKPSNLLISETGHVKIADFGVS-RLIQTLAVSSTYVGTMCFMAPERLEQGMYGFSSDVWSLGLTMIGAVTGKNPWAPPEEMNLYQLLGKMANGSTPTLPKSGAFSDDVKDFVKQCLERDPDTRPTCAELLQHRFFDGVTTESAVAMVKMAVEQMTRLINNNAQKEKEVTRSQESLEKDVKAQLDKMVL 4ANB Chain:A ((7-262)) ---------------------------------------------------------KDD-DFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQV-LHECNSPYIVGFYGAFYS--DGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDEMA--NEFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPRPP---MAIFELLDYIVNEPPPKLP-SAVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFI-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ANB.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 : 1239 -24268 -19.59 -96.30 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -19.59 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_4ANB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ANB-query.scw PDB file : Tito_Scwrl_4ANB.pdb: