Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIQQEIFSIL----GIKGPVLLGEGSESQTYDYTADK---VVKIYKGPVEQDNLDHLCSIY-TWLSTHHLPFAVPEIYAIESHEGTVYLIEKKLAGRPISAVYAQLQM-YERQRLLSNYLEAVRHLQGVVLPT-QPYGSIFHAPGPSPVPYQSWRKFLRETAPLKLPQTQDDLRQEGIDVARLLEKFFQDIENAPDTPEKNFVHGDYFFGNVLVDDELEISAVLD----------------VSWWSVVGDHLMDIAGAVMFLDLYEYVTPQEIASLTQQALALYGPEILTAI-RIYGVYYSLLLSDCKLLDPAAYSWSIKRLREYMQ------- 2PPQ Chain:A ((5-320)) TDITEDELRNFLTQYDVGSLTSYKGIAENSNFLLHTTKDPLILTLYEKKNDLPFFLGL----MQHLAAKGLSCPLP----LPRKDGELL---GELSGRPA-ALISFLEGMWLRKPEAKHCREVGKALA-----AMHLASEGFEIKRPNALSVDGWKVLWDKSEE-RADEVEKGLREEIRPEIDYLAAHW------PKDLPAGVIHADLFQDNVFFLGD-ELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1304 -5538 -4.25 -20.06 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -4.25 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: