Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------MKMLLVLFDKQGQILLCRNPSGYSVPTNGAEVDEGFGFGSPQEENRWFWENCGLLVYRRYICFYKDYCAAVFELYGEGNVGK-EFIWMDSGSLDKFIVGNSLTVLLKAVMKNYNCSKTVSWVNKDGFQPYLNWALKAAGSDTQLTYGKIEQIKNTYVSTIFRFQAGEEIFYLKIPGKTYLNDAVHIEKFLVNSTYGLPEITAVYPDGNAFLAKAMGGHDLSVETDMVFLEQVVEQWADMQQRFTEKQDAFSSKIPLLHNYTAEGIMKRIDNFP--SEVSDIFAFLNEQSNAVDAAKTGQMIREV----KRLLSLLAKCKVPDTLCH-GDLRPGNIRVVNGFCFLYDWGMGMYGHPFYDVVHFLHVTRRQLSQEMQEKIKN------TYLKQWEMYGTGKDILRNYETV-ERLKDFFMVLA-DADWLMETIEAVGGKVPEGSMDSWL-LMRRVY-----YFRRVLGRFLAGDNN 5DBJ Chain:D ((5-441)) SDHDYDVVIIGGGPAGSTMASYLAKAGVKCAVFEKE---LFEREHVGESLVPATTPVLLEIGVMEKIEKANF-----------------PKKFGAAWTSADSGPEDKMGFQGLDHDF-------RSAEILFNERKQEGVDRDFTFHVDRGKFDRILLEHAGSLGA---------KVFQGVEIADVEFLSPGNVIVNAKLGKR-----SVEIKAKMVVDASG----------RNVLLGRRLG----LREKDPVFNQFAIHSWFDNFDRKSATQSPDKVDYIFIHFLPMTN--TWVWQIPITETITSVGVVTQKQNYTNSDLTYEEFFWEAVKTRENLHDALKASEQVRPFKKEADYSYGMKEVCGDSFVLIGDAARFVDPIFSSGVSVALNSARIASGDIIEAVKNNDFSKSSFTHYEGMIRNGIKNWYEFITLYYRLNILFTAFVQDPRYRLDILQLLQGDVYLEVLDKMREIIAAVESDPEHLWHKYLG--------

General information: TITO was launched using: RESULT: Template: 5DBJ.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 : 2305 27761 12.04 71.92 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain D : 0.64 3D Compatibility (PKB) : 12.04 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.190

(partial model without unconserved sides chains): PDB file : Tito_5DBJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5dbj-query.scw PDB file : Tito_Scwrl_5DBJ.pdb: