Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTKILKAPDGSPSDVERIKKESDYLRGTL---KEVMLDRISAGIP-----DDD-NRLMKHHGSYLQDDRDLRNERQKQKLEPAYQFMLRVRMPGGVSTPEQWLVMDDLSQKYGN-GTLKLTTRETFQMHGILKWNMKKTIQTIHSALLDTIAACGDVNRNVMCASNPYQSEI-HSEVYEWSKKLSDDLLP---RTRAYHEIWLDEERVAGTPEEEVEPMYGPLYLPRKFKIGIAVPPSNDIDVFSQDLGFIAIVEDGKLIGFNVAIGGGMGMTHGDTATYPQLAKVIG-FCRPEQMYDVAEKTITIQRDYGNRSVRKNARFKYTVDRLGLENVKEELENRLGWS-LEEAKP--Y--HFDHNGDRYGWVEG-IEDKWHFTLFVEGGRITDYDDYKLMTGLREIAKVHT-GEFRLTANQNLMIANVSSDKKEEISALIEQYGLTDGKHYSALRRSSMACVALPTCGLAMAEAERYLPTLLDKIEEIIDENGLRDQEITIRMTGCPNGCARHALGEIGFIGKAP--------GKYNMYLGAAFDG-SRLSKMYRENIGEADILSELRILL-SRYAKEREEGEHFGDFVIRAGIIKATTDGTNFHD 3B0G Chain:A ((70-584)) ---------RKGINPQEKVKIEKEPMKLFMENGIEELAKIPIEEIDQSKLTKDDIDVRLKWLGLFHRRKN------------QYGRFMMRLKLPNGVTTSAQTRYLASVIRKYGKEGCADITTRQNWQIRGVVLPDVPEILKGLAEVGLTSLQSGMDNVRNPVGNPLAGIDPEEIVDTRPYTNLLSQFITGNSRGNPAV------------------------SNLPRKWNPCVVGSHDLYEHPHINDLAYMPATKD-GRFGFNLLVGGFFSAK------RCDEAIPLDAWVPADDVVPVCRAILEAFRDLGFRGNRQKCRMMWLIDELGVEGFRAEVEKRMPQQQLERASPEDLVQKQWERRDYLGVHPQKQEGYSFIGLHIPVGRVQA----DDMDELARLADEYGSGEIRLTVEQNIIIPNIETSKIEALLKEPVLSTFSP--DPPILMKGLVACTGNQFCGQAIIETKARSLKITEEVQRQVS----LTKPVRMHWTGCPNTCAQVQVADIGFMGCLTRDKNGKTVEGADVFLGGRIGSDSHLGEVYKKAVPCDDLVPLVVDLLVNNFGAVPR--------------------------

General information: TITO was launched using: RESULT: Template: 3B0G.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 : 2929 76231 26.03 157.83 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 26.03 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.372

(partial model without unconserved sides chains): PDB file : Tito_3B0G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B0G-query.scw PDB file : Tito_Scwrl_3B0G.pdb: