Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIKEYDYIIIGAGSAGNVLAARLTEDKDTTVLLLEAGGPDYRLDFRTQMPAALAYPLQGRRYNWAYLTDPEPHMNNRRMECGRGKGLGGSSLINGMCYIRGNAMDLEQWATHKGLENWTYADCLPYYKKAETRDIGGND--YHGDSGPVSV--ATPKNGNNVLFHAMVEAGVQAGYPR------TDDLNGYQQEGFGPMDRTVTPKGRRSSTARGYLDMAKGRPNLTILTHATTNKILFN-QKQAIGVEYIIGADQNNLQRALVKREVLLCAGAIASPQILQRSGVGQSTFLKSMDIDVVHDLPGVGENLQDHLEMYLQYKCKQPVSLYPALKWYNQPAIGAEWLFNGTGIGASNQFEAGGFIRSSDEFKWPNIQYHFLPVAINYNGSN---AVKEHGFQAHVGSMRSPSRGRIKLKSKDPFAHPSILFNYMSTEQ--DWREFRDAIRITREIMHQPALDPYRGDEISPGKHLQTDAELDDFVRNHAETAYHPSCSCKMG--EDEMAVVDGQGRVHGMNGLRVVDASIMPLIITGNLNATTIMIAEKIADQIRGREALPRSTAPFYVAS 3NNE Chain:D ((9-530)) LSDREFDYIVVGGGSAGAAVAARLSEDPAVSVALVEAGPDDRGVPEVLQLDRWMELLESG--YDWDYPIEPQEN-GNSFMRHARAKVMGGCSSHNACIAFWAPREDLDEWEAKYGATGWNAEAAWPLYKRLETNEDAGPDAPHHGDSGPVHLMNVPPKDPTGV---ALLDACEQAGIPRAKFNTGTTVVNGAN---FFQINRRA--DGTRSSSSVSYIHPIVEQENFTLLTGLRARQLVFDADRRCTGVD-IVDSAFGHTHRLTARNEVVLSTGAIDTPKLLMLSGIGPAAHLAEHGIEVLVDSPGVGEHLQDHPEGVVQFEAKQPM-VAESTQWW----------------------EIGIFTPTEDGLDRPDLMMHYGSVPFDMNTLRHGYPTTENGFSLTPNVTHARSRGTVRLRSRDFRDKPMVDPRYFTDPEGHDMRVMVAGIRKAREIAAQPAMAEWTGRELSPGVEAQTDEELQDYIRKTHNTVYHPVGTVRMGAVEDEMSPLDPELRVKGVTGLRVADASVMPEHVTVNPNITVMMIGERCADLIRSAR-------------

General information: TITO was launched using: RESULT: Template: 3NNE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 3300 35526 10.77 70.49 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : 10.77 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_3NNE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NNE-query.scw PDB file : Tito_Scwrl_3NNE.pdb: