Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MKGWLFLEHLKQRLEEM---KW--VP---LHVECITGAHAGDIFRFEIINH----NGDTEKF---IY--KEFAEGRNNEIEVFKKLENH-LQPFTKLVKWWESNPQAILMVDL--GRPLK-DDFMNLPLDSKKKSIVSILQRLSYLHSLKIDQTALTLDAHSITYEWSEWAIDQLKLLNEGH-------DWASDW-SKLIESAYQKLK--LGQYTVKGPLTLTHGDPHLENVFCYENEIWFIDWEWAAIGSPLRDITILLQDVYDEELVRYTYRAYKELLDSKKISISNDAYRRDFHHLYVDHTTMMLAWEIDKYFQGFTSEARIKEIVEFKMKEINRVVIEEAHI--SPW------------------------------------ 1NW1 Chain:A ((32-426)) GMKELLSTMDLDTDANTIPELKERAHMLCARFLGGAWKTVPLEHLRISRIKGGMSNMLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHLGP--KLY----GIFSGGRLEEYIPSRPLSCHEISL------AHMSTKIAKRVAKVHQLEVP---IWKEPDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISL--SKSPVTFCHNDLQEGN-ILLPKRLVLIDFEYASYNYRAFDFANHFIEW----TIDYDIDEAPFYKIQTENFPENDQMLEFFLN-YLREQ-------------GNTRENELYKKSEDLVQETLPFVPV-SHFFWGVWGLLQVELSPVGFGFADYGRDRLSLYFKHKQLLKNLA

General information: TITO was launched using: RESULT: Template: 1NW1.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 : 1175 7730 6.58 27.51 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 6.58 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.363

(partial model without unconserved sides chains): PDB file : Tito_1NW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nw1-query.scw PDB file : Tito_Scwrl_1NW1.pdb: