Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDAMTQGNFVYAFLKSCFTRLRGFAQFLLPFLRPKKRRGINYYNPVELNKYAMQTLQKALKDDPGADIRDCLPLVYNSAMRVISKTKARKEEELKRPPTPEFRTKINYVENAEIIFPLSDEVVSLLLQYSDKDGELVGKQLVISLKQLIWESPKIWESAVRGVVLKC----SDNVALKVIRQH----PDYTEYTTLQYLAEKLPEIPVPSTYGVIRFKPFTAYFMSYIPSMTLAEAWPSL--------NHEGKTSVQEQLEEIFSKLRTLRKDDGYPLGGVGGEGVKEARVGNSAQEKTINTAASFVDLQFSLSEFLSKSYIQFIRTLQPPPPTGSVFTHGDVRKDNIMVDIGDNNTCTVTAIIDWEDAGFYPDYFECTTLTRTWLPHVEDDWYNYLPPCIDPARFPHHWLIDRLWGIHHPIF 5UXA Chain:A ((32-239)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------DFQAVFAQDNNGIDWVLRLPRREDVMPRTKVEKQALDLVNKYAISFQAPNWIIY----TEELIAYKKLDGVPAGTIDHNIGNYIWEIDINNVPELFHKSLGRVLAELHSIPSNKAAALDLVVHTP-EEARMSMK---QRM---DAVRAKF-GVGENLWNRWQAWLNDDD-MWPKKTGLIHGDVHAGHTMIDKDA----NVTGLIDWTEAKVTDVSHDFIFNYRAF--------------------------------------

General information: TITO was launched using: RESULT: Template: 5UXA.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 : 647 5369 8.30 27.96 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 8.30 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.150

(partial model without unconserved sides chains): PDB file : Tito_5UXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5uxa-query.scw PDB file : Tito_Scwrl_5UXA.pdb: