Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEVLDVVIVGGGLVGGLTALLLAQGGVQPTVLDAAPVLDVEKTLSVMNP---RVLALSQATIHLLKTVNVWDDL--ARQMPYTGMQVWNLNGYGEINFGHESVQRPISEQALGSMVEPSVLNVAIQQKMLEQLTDYR--TQVRVTCIEQGVGCWHIQLADGTALKTKLLIGADGANSFVREQAFIDLDVLDYKQAAISCAIKTSKPHHYVARQIFLPTGPLAYLPMASLEESENGYWQSIVWTLPDDYADEYSALSDREFMQLLTRESQHMLGEVLDVRSRAQFPLKARAAKQYVKAGLALIGDAAHVIHPLAGQGVNIGCLDAAVLCDAL--LHDLGRGVWAHEQTLMRYEHRRKGQNDAMMHSMSAIGWLESSELFPLIWARNVGLKQVEQISFLKERFMQQANGLGALQNTQYSR 4K22 Chain:B ((2-350)) --QSVDVAIVGGGMVGLAVACGLQGSGLRVAVLEQ------------NAPPQLRVSAINAASEKLLTRLGVWQDILSRRASCYHGMEVWDKDSFGHISFDDQS----MGYSHLGHIVENSVIHYALWNKA-HQSSDITLLAPAELQQVAWGENETFLTLKDGSMLTARLVIGADGANSWLRNKADIPLTFWDYQHHALVATIRTEEPHDAVARQVFHGEGILAFLPLS------DPHLCSIVWSLSPEEAQRMQQASEDEFNRALNIAFDNRLGLCKVESARQVFPLTGRYARQFASHRLALVGDAAHTIHPLAGQGVNLGFMDAAELIAELKRLHRQGKDI-GQYIYLRRYERSRKHSAALMLAGM----------------------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 1900 -52886 -27.83 -159.30 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -27.83 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.484

(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: