Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAMDRIEVKGARAHNLKNIDVTIPRDQLVVVTGLSGSGKSSLAFDTIYAEGQRRYVESLSAYARQFLGQMDKPDVDAIEGLSPAISIDQKTTSRNPRSTVGTVTEIYDYLRLLYARVGKPHCPEHGIEITSQTIEQMVDRILEYPERTKLQVLAPIVSGRKGAHVKVLEQIRKQGYVRVRIDGEMAELSDDIELEKNKKHSIEVVIDRIVVKEGVAARLSDSLETALRLGEGRVMIDVIGEEELMFSEHHACPHCGFSIGELEPRLFSFNSPFGACPTCDGLGMKLEVDADLVIPNQDLSLKENAVAPWTPISSQYYPQLLEAVCTHYGIDMDVPVKDLPKHQLDKVLYGSGDDLIYFRYE-------NDFGQIREGEIQFEGVLRNIER----RYKETGSDFIREQMEQYMSQKSCPTCKGYRLKKEALAVLIDGRHIGKITELSVADALAFFKDLTLSE---K---------DMQIANLILREIVERLSFLDKVGLDYLTLSRAAGTLSGGEAQRIRLATQIGSRLSGVLYILDEPSIGLHQRDNDRLISALKNMRDLGNTLIVVEHDEDTMMAADYLIDIGPGAGIHGGQVISAGTPEEVMEDPNSLTGSYLSGKKFIPLPPERRKPDGRYIEIKGASENNLKKVNAKFPLGTFTAVTGVSGSGKSTLVNEILHKALAQKLHKAKAKPGSHKEIKG-LDHLDKVIDIDQAPIGRTPRSNPATYTGVFDDIRDVFAQTNEAKVRGYKKGRFSFNVKGGRCEACRGDGIIKIEMHFLPDVYVPCEVCHGKRYNRETLEVTYKGKSISDVLDMTVEDALSFFENIPKIKRKLQTLYDVGLGYITLGQPATTLSGGEAQRVKLASELHKRSTGRTLYILDEPTTGLHVDDIARLLVVLQRLVDNGDTVLVIEHNLDIIKTADYIVDLGPEGGAGGGTIVASGTPEEITEVEESYTGRYLKPVIERDKTRMKSLLKAKETATS 2VF7 Chain:A ((12-841)) -DGGFVQVRGARQHNLKDISVKVPRDALVVFTGVSGSGKSSLAFGTLYAEAQRRYLESVSPYARRLFNQAGVPDVDAIDGLPPAVALQQARGTPTARSSVGSVTTLSNLLRMLYSRAGDYPP-GQGI--------------------------------------------------------------------------------------------------------------------------------------VYAEGFSPNTPEGACPECHGLGRVYTVTEDSMVPDPSLTIRERAVAAWPQAW---GGQNQRDILVTLGIDVDVPWRELPEETRHWILFTDEQPVVPVYPGLTPAETQRALK--KKMEPSYMGTFSSARRHVLHTFANTESASMKKRVQGYMISEECPLCHGKRLRQEALNVTFAGLDITELSRLPLARVSELLRPYAEEREPGHAERVKNRPEQAIALQRMAADLVKRLDVLLHLGLGYLGLDRSTPTLSPGELQRLRLATQLYSNLFGVVYVLDEPSAGLHPADTEALLSALENLKRGGNSLFVVEHDLDVIRRADWLVDVGPEAGEKGGEILYSGPPEGLKHVPESQTGQYLFADRHT--EPHTPREPAGWLELNGVTRNNLDNLDVRFPLGVMTSVTGVSGSGKSTLVSQALVDALAAHFGQ-----GSA-RLGGDLAQITRLVRVDQKPIGRTPRSNMATYTGLFDQVRKLFAATPLAKKRGYNAGRFSFNVKGGRCEHCQGEGWVMVELLFLPSVYAPCPVCHGTRYNAETLEVEYRGKNIADVLALTVDEAHDFFADESAIFRALDTLREVGLGYLRLGQPATELSGGEAQRIKLATELRRSGRGGTVYVLDEPTTGLHPADVERLQRQLVKLVDAGNTVIAVEHKMQVVAASDWVLDIGPGAGEDGGRLVAQGTPAEVAQAAGSVTAPYLRAAL-------------------

General information: TITO was launched using: RESULT: Template: 2VF7.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 : 4253 43949 10.33 55.70 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 10.33 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_2VF7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VF7-query.scw PDB file : Tito_Scwrl_2VF7.pdb: