Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------MGNTLFFISLSLIWVMLLYHMFLMQGGFRHYMTFERNIPKWR-------ENMKELPKVSVLIPAHNE-EVVIRQTLKAMVNLYYPKDRLEIIVVNDNSSDRTGDIVNEFSEKYDFIKMVITKPPNAGKGKSSALNSGFAESNGDVICVYDADNTPEKMAVYYLVLGLMNDEKAGAVVGKFRVINAAKTLLTRFINIETICFQWMAQGGRWKW---------------FKIATIPGTNFAIRRSIIEKLGGWDDKALA---EDTELTIRVYNLGYHIRFFP------------------AAITWEQEPETWKVWWRQRTRWARGNQYVVLKF----LAQFFKLKRKRIIFDLFYFFFTYFL-------------FFFGVIMS----------------------------------NAIFVVNLFYDLHLSVGFLAMILWILAFFLFMTEVMITLSIEKTEMNKQNFFIVFLMYFTYSQAWIVLVIYSLFVEIKHRLFKQ-------EVKWYKTERYNQHKSG 2D7I Chain:A ((35-570)) GQKLKDWHDKEAIRRDAQRVGNGEQGRPYPMTDAERVDQAYRENGFNIYVSDK--ISLNRSLPDIRHPNCNSKRYLETLPNTSIIIPFHNEGWSSLLRTVHSVLNRSPPELVAEIVLVDDFSD--REHLKKPLEDYMALFPSVRILRTKKREGLIRTRMLGASVATGDVITFLDSHCEANVNWLPPLLDRIARNRKTIVCPMIDVIDHDDFRYETQAGDAMRGAFDW---EMYYKRIPIPPELQKADPSDPFESPVMAGGLFAVDRKWFWELGGYDPGLEIWGGEQYEISFKVWMCGGRMEDIPCSRVGHIYRKYVPYKVPAGVSLARNLKRVAEVWMDEYAEYIYQRRPEYRHLSAGDVAVQKKLRSSLNCKSFKWFMTKIAWDLPKFYPPVEPPAAAWGEIRNVGTGLCADTKHGALGSPLRLEGCVRGRGEAAWNNMQVFTFTWREDIRPGDPQHTKKF---CFDAISHTSPVTLYDCHSMKGNQLWKYRKDKTLYHPVSGSCMDCSESDHRIFMNTCNPSSLTQQWLFEHTNSTVLEKFNRN

General information: TITO was launched using: RESULT: Template: 2D7I.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 : 2019 -218062 -108.00 -531.86 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -108.00 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.192

(partial model without unconserved sides chains): PDB file : Tito_2D7I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2D7I-query.scw PDB file : Tito_Scwrl_2D7I.pdb: