Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFERGIGFFALIFSILVIGAFIALSIYLIRLDNIIREKFEGQRWDIPAKVFARPLEIYNNAPITQANFTQELKLLGYKTSSNYDKSGTYVAQGSNMYVHTRGFDYGDSVEPEQVLELSFANDQVVEVRSTKPSST-GVARLEPLLIGGIYPQHNEDRVLIKLNSVPKPLIEALISTEDRNFYHHHGISIRGTARALVSNVTGGRRQGGSTLTQQLVKNFYLTPERTLKRKVNEALMALLIELHYSKDEILEAYLNEVNLGQNGNYSINGYGLAAQFYFGLPLRELNVAQQAYLVGLVQGPSLYNPWKNPEGAKNRRDTVLNNMRVMGYLTQAEYETEIARPLNVLSKPSLGPAKFPDFLDIVRRQLRTEYQESDLTNQGLRIFTTLDPIAQTQVQNAFKASVERL-ANSNPARLKNLQGAVLIAHPENGELIAAVGSTQ-DFTGFNRALDAKRQVGSLLKPVIYLSAIESGR-YNWASQIEDAPISVPVDGGKSWTPKN----YSGGGHGIVSLSEALANSYNLSAVRLGQEFGLSTFTNNLRKFGV-ESTIPAYPSIFLGAVNMSPMEVLGIYENFATGGFKYPTRAIRSVVDANGHLLDRYGLNVQETIDPSVGYIMNYGLQQVMSSGTGRAAYNSLSPALKLAGKSGTTNDTRDSWFAGYSGNHVAVVWLGLDDNKVTGLTGSSGALPVWINVMKQLRQTPVNLRQPDSVQWQWIDHASGDLSAQACDGAMYIPMLAHTVPHRATPCGAPYYQVDPTYTPQSDNTIPEPEDDNTDSYIRESENQMEQDLSNNTRIISSGSYNN 5HLA Chain:A ((10-725)) ----------WLLLKLAIVFAVL-IAIYGVYLDQKIRSRIDGKVWQLPAAVYGRMVNLEPDMTISKNEMVKLLEATQYRQVSKMTRPGEFTVQANSIEMIRRPFDFPDSKEGQVRARLTFDGDHLATIVNMENNRQFGFFRLDPRLITMISSPNGEQRLFVPRSGFPDLLVDTLLATEDRHFYE--------------------------TLTQQLVKNLFLS-------KANEAYMALIMDARYSKDRILELYMNEVYLGQSGDNEIRGFPLASLYYFGRPVEELSLDQQALLVGMVKGASIYNPWRNPKLALERRNLVLRLLQQQQIIDQELYDMLSARPL--QPRGGVISPQ-PAFMQLVRQELQAKLGDKVKDLSGVKIFTTFDSVAQDAAE---KAAVEGIPALKKQRKLSDLETAIVVVDRFSGEVRAMVGGSEPQFAGYNRAMQARRSIGSLAKPATYLTALSQPKIYRLNTWIADAPIALRQPNGQVWSPQNDDRRYSESGR--VMLVDALTRSMNVPTVNLGMALGLPAVTETWIKLGVPKDQLHPVPAMLLGALNLTPIEVAQAFQTIASGGNRAPLSALRSVIAEDGKVLYQSFPQAERAVPAQAAYLTLWTMQQVVQRGTGR-QLGAKYPNLHLAGKTGTTNNNVDTWFAGIDGSTVTITWVGRDNNQPTKLYGASGAMSIYQRYLANQTPTPLNLVPPEDIADMGVDY-DGNF---VCSGGMRI----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5HLA.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 : 3668 -759 -0.21 -1.13 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -0.21 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_5HLA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HLA-query.scw PDB file : Tito_Scwrl_5HLA.pdb: