Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQQVIIVGGGMVGLSLSLMLAKANIAVKLLEAVKYPNYDDQNVAPYHSSFDARNTALSRRSVQIYQKLGLWDALQQHAT-PILQVHITEQGSFGKARLIAEQEKVESFGQVIENAWLGRVLLTQVRQQPLIELIDGVQVTALTQDAEQVHIEAQRGDEVLKLESKLLIAADGRDSFCRQAIGVGVDVHDYDQVAIVTTVQTSKPHEHVGFERFSALGPLALLPLPGEYRRSVVWPVKKGTEGEWLGEENDQHFLDALQKTYGDRAGKFEKTGKRFSYPLSQVLAHKQAVGRIILMGNAAHTIHPVAGQGFNLCLRDADVLLRYLVNQLSASDDIGNPDNLLAYEEARLSDQQRVIKFCDTVVRGFSNQNPLLKLIRNTGLIAFDVIPGVKPLVANYAMGLKA 4K22 Chain:A ((2-362)) QSVDVAIVGGGMVGLAVACGLQGSGLRVAVLEQR---------------PPQLRVSAINAASEKLLTRLGVWQDILSRRASCYHGMEVWDKDSFGHISFDDQSMGYSHLGHIVENSVIHYALWNKAHQSSDITLLAPAELQQVAWGENETFLTLKDG---SMLTARLVIGADGANSWLRNKADIPLTFWDYQHHALVATIRTEEPHDAVARQVFHGEGILAFLPLSDPHLCSIVWSLSPEE-AQRMQQASEDEFNRALNIAFDNRLGLCKVESARQVFPLTGRYARQFASHRLALVGDAAHTIHPLAGQGVNLGFMDAAELIAELKRLHRQGKDIGQYIYLRRYERSRKHSAALMLAGMQGFRDLFSGTNP--------------------------------

General information: TITO was launched using: RESULT: Template: 4K22.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 : 2081 -80019 -38.45 -227.97 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -38.45 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_4K22.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K22-query.scw PDB file : Tito_Scwrl_4K22.pdb: