Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------MITSDIKNA--DEYVRKVDKSQIPTCNIMGVNIAAINMEWL--------LEYLEKNIDLLHGDYICVSNVHTTVTS-----FEEPDYCAVQNGGIMAIPDGGPLSTVGRKRGYKNMERTTGPSLMGKIFKVTNEKGYRHFFYGSKQETLDLLEEKLKVYYPGIQIAGMYSPPF-----RPLTEEEDKAVIKMINAVKPDFVWIGLGAPKQEKWMAEHQ-GKI-------DGLMIGVGAGFDYYAGNIQRAP------QWMQKWNLEWMYRLIQDPKRLFYR----YWHTNTKFILNAVIRRK 5JP6 Chain:A ((23-379)) MSQIGSSVRQAVSDNQSAQTLVEWENSEANPEALFANWRHEFMVDSSKRESMKTELCKELQALPAQDLTLFENEIRDENNRALVSGCKEELLAQVDEHFDEQRESMSVPGHALKAVQSRNSFRFPDNTQKRDMSNGYMAVRGD-----VARKEVVLTFDDGPHGLYTDAILRALKEVNAKAMFFAT-GKSVRTNPEALKRVAADGHVIGSHSITLTFDEAAAEVRGGHQAVFDVLGWVDPVFRFYGETSKDLKAFLKTKSTGEFAWNIESDDWRTQSNEQLLARVLANVESQGRGIVLFHDIQRRTAEIMPQFLRELYNRGYSVVLLTAADPSAKYNSKLVKRK

General information: TITO was launched using: RESULT: Template: 5JP6.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 : 1064 50904 47.84 197.30 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 47.84 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.264

(partial model without unconserved sides chains): PDB file : Tito_5JP6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JP6-query.scw PDB file : Tito_Scwrl_5JP6.pdb: