Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFERGIGFFALIFSILVIGAFIALSIYLIRLDNIIREKFEGQRWDIPAKVFARPLEIYNNAPITQANFTQELKLLGYKTSSNYDKSGTYVAQGSNMYVHTRGFDYGDSVEPEQVLELSFANDQVVEVRSTKP-SSTGVARLEPLLIGGIYPQHNEDRVLIKLNSVPKPLIEALISTEDRNFYHHHGISIRGTARALVSNVT-GGRRQGGSTLTQQLVKNFYLTPERTLKRKVNEALMALLIELHYSKDEILEAYLNEVNLGQNGNYSINGYGLAAQFYFGLPLRELNVAQQAYLVGLVQGPSLYNPWKNPEGAKNRRDTVLNNMRVMGYLTQAEYETEIARPLNVLSKPSLGPAKFPDFLDIVRRQLRTEYQESDLTNQGLRIFTTLDPIAQTQVQNAFKASVERLANSNPARLKNLQGAVLIAHPENGELIAAVGST-QDFTGFNRALDAKRQVGSLLKPVIYLSAIESGR-YNWASQIEDAPISVPVDGGKSWTPKNYSGGGH--GIVSLSEALANSYNLSAVRLGQEFGLSTFTNNLRKFGVEST-IPAYPSIFLGAVNMSPMEVLGIYENFATGGFKYPTRAIRSVVDANGHLLDRYGLNVQETIDPSVGYIMNYGLQQVMSSGTGRAAYNSLSPALKLAGKSGTTNDTRDSWFAGYSGNHVAVVWLGLDDNKVTGLTGSSGALPVWINVMKQ-LRQTPVNLRQPDSVQWQWIDHASGDLSAQACDGA-MYIPMLAHTVPHRATPCGAPYYQVDPTYTPQSDNTIPEPEDDNTDSYIRESENQMEQDLSNNTRIISSGSYNN 5HLB Chain:A ((10-740)) -----------WLLLKLAIVFAVLIAIYGVYLDQKIRSRIDGKVWQLPAAVYGRMVNLEPDMTISKNEMVKLLEATQYRQVSKMTRPGEFTVQANSIEMIRRPFDFPDSKEGQVRARLTFDGDHLATIVNMENNRQFGFFRLDPRLITMISSPNGEQRLFVPRSGFPDLLVDTLLATEDRHFYEHDGISLYSIGRAVLANLTAGRTVQGASTLTQQLVKNLFLSSERSYWRKANEAYMALIMDARYSKDRILELYMNEVYLGQSGDNEIRGFPLASLYYFGRPVEELSLDQQALLVGMVKGASIYNPWRNPKLALERRNLVLRLLQQQQIIDQELYDMLSARPLGVQPR-GGVISPQPAFMQLVRQELQAKLGDKVKDLSGVKIFTTFDSVAQDAAEKAAVEGIPALKKQR--KLSDLETAIVVVDRFSGEVRAMVGGSEPQFAGYNRAMQARRSIGSLAKPATYLTALSQPKIYRLNTWIADAPIALRQPNGQVWSPQNDDRRYSESGRVMLVDALTRSMNVPTVNLGMALGLPAVTETWIKLGVPKDQLHPVPAMLLGALNLTPIEVAQAFQTIASGGNRAPLSALRSVIAEDGKVLYQSFPQAERAVPAQAAYLTLWTMQQVVQRGTGRQLGAKY-PNLHLAGKTGTTNNNVDTWFAGIDGSTVTITWVGRDNNQPTKLYGASGAMSIYQRYLANQTP-TPLNLVPPEDIADMGVDYDGNF----VCSGGMRILPVWTS-DPQSLCQQS-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5HLB.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 : 3868 268 0.07 0.37 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 0.07 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_5HLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HLB-query.scw PDB file : Tito_Scwrl_5HLB.pdb: