Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAVPHSSLNPVLIQLEQVSVHRDQRDILKKVDFALHENEIVTLIGPNGAGKSTLIKVLLGILKPSSGRVISN---------KKLKMAYVPQKFNPSHSLPLRVQDLLDLEKCSPALRQE----IIQDTGIAKLQQSKVQQLSGGERQRVLLARALLRKPDILVLDEPMQGLDIQSEAELYEYVRSLPERYGCAILIVSHDL-QWVMQGTQRVVCLNKHICCSGLPESIQQHPEYQAIFGTHRVFYQHHHDHCAHGDAAHPCPHNNRPHIHPEPEA 2ONK Chain:A ((18-209)) -------------------------------VDFEMGRDYCV-LLGPTGAGKSVFLELIAGIVKPDRGEVRLNGADITPLPPERRGIGFVPQDYALFPHLSVYRNIAYGLRNVERVERDRRVREMAEKLGIAHLLDRKPARLSGGERQRVALARALVIQPRLLLLDEPLSAVDLKTKGVLMEELRFVQREFDVPILHVTHDLIEAAMLADEVAVMLNGRIVEKG----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2ONK.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 : 772 -7197 -9.32 -40.43 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -9.32 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_2ONK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ONK-query.scw PDB file : Tito_Scwrl_2ONK.pdb: