Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRWSIVTLMLIFTLVLSACGFGGTGSNGEGKKDSKGKTTLNINIKTEPFSLHPGLANDSVSGGVIRQTFEGLTRINADGEPEEGMASKIETSKDGKTYTFTIRDGVKWSNGDPVTAQDFEYAWKWALDPNNESQYAYQ--LYYIKGAEAANTGKGSLDDVAVKAVNDKTLKVELNNPTPYFTELTAFYTYMPINEKIAEKNKKWNTNAGDDYVSNGPFKMTAWKHSGSITLEKNDQYWDKDKVKLKKIDMVMINNNNTELKKFQAGELDWAGMPLGQLPTESLPTLKKDG--SLHVEPIAGVYWYKFNTEAKPLDNVNIRKALTYSLDRQSIVKNVTQGEQMPAMAAVPPTMKGFEDNKE--GYFKDND-VKTAKEYLEKGLKEMGLSKASDLPKIKLSYNTDDAHAKIAQAVQEMWK-KNLGVDVELDNSEWNVYIDKLHSQDYQIGRMGWLGDFNDPINFLELFRDKNGGNNDTGWENPEFKKLLNQSQTETDKTKRAELLKKAEGIFIDEMPVAPIYFYTDTWVQDENLKGVIMPGTGE-VYFRNAYFK 4TOZ Chain:A ((10-512)) ------------------------------------AEKQELVRHIKDEPASLDPAKAVGLPEIQVIRDLFEGLVNQNEKGEIVPGVATQWK-SNDNRIWTFTLRDNAKWADGTPVTAQDFVYSWQRLVDPKTLSPFAWFAALAGINNAQAIIDGKATPDQLGVTAVDAHTLKIQLDKPLPWFVNLTANFAFFPVQKANVESGKEWT--KPGNLIGNGAYVLKERVVNEKLVVVPNTHYWDNAKTVLQKVTFLPINQESAATKRYLAGDIDITE----SFPKNMYQKLLKDIPGQVYTPPQLGTYYYAFNTQKGPTADQRVRLALSMTIDRRLMTEKVLGTGEKPAWHFTPDVTAGFTPEPSPFEQMSQEDLNAQAKTLL----SAAGYGPQ-KPLKLTLLYNTSENHQKIAIAVASMWKKN-LGVDVKLQNQEWKTYIDSRNTGNFDVIRASWVGDYNEPSTFLTLLTST-HSGNISRFNNPAYDKVLAQASTENTVKARNADYNAAEKILMEQAPIAPIYQYTNGRLIKPWLKGYPINNPEDVAYSRTMYI-

General information: TITO was launched using: RESULT: Template: 4TOZ.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 : 2848 -138305 -48.56 -279.97 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -48.56 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_4TOZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TOZ-query.scw PDB file : Tito_Scwrl_4TOZ.pdb: