Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKICYVLLSLVCVFLFSGCSAGEEASGKKEDVTLRIAWWGGQPRHDYTTKVIELYEKKNPHVHIEAEFA-NWDDYWKKLAPMSAAGQLPDVIQMDTAYLAQYGKKNQLEDLTPYTKDGTIDVSSIDENMLSGGKIDNKLYGFTLGVNVLSVIANEDLLKKAGVSI-NQENWTWEDYEKLAYDLQEKAGVYGSNGMHPPDIFFPYYLRTKGERFYKEDGTGLAYQDDQLFVDYFERQLRLVKAKTSPTPDESAQ--IKGMEDDFIVKGKSAITWNYSNQYLGFARLTDSPLSLYLPPEQMQEK-ALTLKPSMLFSIPKSSEHKKEAAKFINFFVNNEEANQLIKGERGVPVSDKVADAIKP--KLNEEETNIVE-YVETASKNISKADPPEPVGSAEVIKLLKDTSDQILYQKVSPEKAAKTFRKKANEILERNN 4OVJ Chain:A ((20-415)) ---------------------------DSKPVVTLTFGFWGDAKEEAVTLAAVKAFEKAYPNIHIQTEFGGPFNQYFTKLSTEVAGGNAPDIMQMDYEYIDAYAKEGQLLNLKGAKG---INISTISPSVLKSGYIDGGLYGIPNALNNYAVIYDEAAFAKAGYHGQR---VSWQQWADILEKVHKATGKWAENDD-ESWQTFGYWARQHGQHLYNASGTKLGFTES-TLVSYLNYWANLRKEGVVPPGTVTSLIKQTADPTDPMVQGKSDAELTWVNYVVSLQSEMTRSLALALPPTQPGGEEGLYIKPSQFWSIYSKTKYPQQAELFVNFLLNNVQAGKALGLVRGIPVSSSVRTQLMASGTSAPE-KAEFQLVNEAL-KVATPIDPPPPQHDKEIDQDFANMVQAVQYGKETPQQGAEQFMQEANDLLQN--

General information: TITO was launched using: RESULT: Template: 4OVJ.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 : 2110 -128798 -61.04 -331.95 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -61.04 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_4OVJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OVJ-query.scw PDB file : Tito_Scwrl_4OVJ.pdb: