Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTTVTDALYAGCEAVVKIAWLNGLWLLFTLL----GGVLF-----GWAPSTAAMCAVIR----KWLMGQKDVPIFSLFLDTYKKEFLKVNAIGLAFSALLLILSANYHYFSASTNWLSFAVTSCTLLAGLLYIIALMYVFPLYVHYQLPLRKYIPQALLFGAMRPLTTGCMLIGCGFVLYLLYTLPGLIPFYGPCLFGLVLMFFALR--------GFQKTEAQHHQAG 1JDI Chain:A ((1-223)) MLEDLKRQVLEANLALPKHNLVTLTWGNVSAVDRERGVFVIKPSGVDYSIMTADDMVVVSIETGEVVEGAKKPSSDTPTHRLLYQAFPSIGGIVHTHSRHATIWAQAGQSIPA------TGTTHADYFYGTIPCTRKMTDAEINGEYEWETGNVIVETFEKQGIDAAQMPGVLVHSHGPFAWGKNAEDAVHNAIVLEEVAYMGIFCRQLAPQLPDMQQTLLNKHYLRKH

General information: TITO was launched using: RESULT: Template: 1JDI.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 : 1080 -202057 -187.09 -1000.28 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -187.09 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.219

(partial model without unconserved sides chains): PDB file : Tito_1JDI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JDI-query.scw PDB file : Tito_Scwrl_1JDI.pdb: