Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVSNVTVRKRLLFVLLFGVIVFLIIDTRLGYVQFVMGEKLTSLAKDSWSRNLPFEPERGEILDRNGVKLATNKSAPTVFVVPRQVQNPMKTSKQLAAVLNMSEEKVYKHVTKKASIEKITPEGRKISNEKAKEIKALDLKGVYVAEDSIRHYPFGSFLSHVLGFAGIDN--------QGLLGLEAYYDDDLKGEKGSVKFYTDAKGKKMPDEADDYTPPKDGLDMKLTVDSKVQTIMERELDNAEAKYHPDGMIAVAMNPKNGEILGMSSRPDFDPADYQSVDPSVYNRNLPVWSTYEPGSTFKIITLAAALEEQKVNLKRDQFYDKGHAEVDGARLRCWKRG----GHGLQTYLEVVQNSCNPGFVELGERLGKEKLFKYIKDFGFGQKTGIDLQGEGTGILFPLERVGPVEQATTAFGQGVSVTPIQQVAAVSAAVNGGTLYTPYIAKEWIDPVTKKTVKKQSPIAKKQVISEETSKQIRYALESVVAEGT----------GRNAFVEGYRVGGKTGTAQKV--KDGKYLE--NNHIVSFIGFAPADDPSLVVYVAVDNPKGTIQFGGTVAAPIVGNIMRDSLPELGVKPRKNQIEKKYQWNDTKTIEVPNVVGMSVSDLESLLVN--LNVDASGKGSKIVKQSPAAGTKVKEGSKIRVYLTEE---------DEKEAAD----------------------------------------- 1QME Chain:A ((23-702)) -----------------------------------------------------TVPAKRGTIYDRNGVPIAEDAT------------------------------------------------------------------------SPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSGMESSLNSILAGTDG---------------------RTMDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATLVSAKTGEILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSTMKVMMLAAAIDNNTFP--GGEVFNSSELKIADATIRDWDVNEGLTGGRMMTFSQGFAHSSNVGMTLLEQKMGDATWLDYLNRFKFGVPTRFGLTDEYAGQLPADN---IVNIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFISAIYDP-NDQTARKSQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVPGQNVALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPE---HYSGIQLGEFANPILERASAMKDSLN-----------LQQSPYPMPSVKDISPGDLAEELRRNLVQPIVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKAEEVPDMYGWTKETAETLAKWLNIELEFQGSGSTVQKQDVRANTAIKDIKKITLTLGD

General information: TITO was launched using: RESULT: Template: 1QME.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 : 2977 -108289 -36.38 -225.60 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -36.38 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_1QME.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QME-query.scw PDB file : Tito_Scwrl_1QME.pdb: