Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEIHTYEKEFFDLLKRISHYSEAVALMHWDSRTGAPKNGSEDRAESIGQLSTDIFNIQTSDRMKELIDVLYERFDDLSEDTKKAVELAKKEYEENKKIPEAEYKEYVILCSKAETAWEEAKGKSDFSLFSPYLEQLIEFNKRFITYWGYQEHPYDALLDLFEPGVTVKVLDQLFAELKEAIIPLVKQVTASG----N---K-----PDT---SFI--------------------TKAFPKEKQK-ELSLYFLQELGYDFDG---------------------------------GRLDETVHPFATTLNRG-----DV------RVTTRYDEKD-------FRTAIFGTIHECGHAIYEQNIDEALSGTNLSDGASMGIHESQSLFYENFIGRNKHFWTPYYKKIQEASPVQFKDISLDDFVRAINESKPSFIRVEADELTYPLHIIIRYEIEKAIFSNEVSVEDLPSLWNQKYQDYLGITPQTDAEGILQDVHWAGGDFGYFPSYALGYMYAAQLKQKMLEDLPEFDALLERGEFHPIKQWLTEKVHIHGKRKKPLDIIKDATGEELNVRYLIDYLSNKYSNLYLL 2O3E Chain:A ((235-677)) -------------------------------------------------------------------------------------------------------------PETRRKMEMAFHTRCK-QENTAILQQLLPLRAQVAKLLGY-NTHADFVLELN-TAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVETYFHEFGHVMHQICAQTDF-ARFSGTNVERDFVEVPSQMLENW-VWDVDSLRKLSKHYKDGHP--I----TDELLEKLVASRL--VNT----GLLTLRQIVLSKVDQSLHTNAT--LDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGI--------MNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRG---------

General information: TITO was launched using: RESULT: Template: 2O3E.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 : 1423 -5695 -4.00 -16.00 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -4.00 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_2O3E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O3E-query.scw PDB file : Tito_Scwrl_2O3E.pdb: