Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MENATQPVPLIELRDIRKRYGGNGTPEVEVLKGVSLSIHAGEFVAIVGASGSGKSTLMNILGCLDRPSSGSYHFAGHDVAELDSDEQAWLRREAFGFVFQGYHLIPSASAQENVEMPAIYAGIPASERHTRARALLERLGLAERTANRPHQLSGGQQQRVSIARALMNGGHIILADEPTGALDSHSGAEVMALLDELASQGHVVILITHDRDVAARAKRIIEVRDGEIVSDSANDERPAHPSAGVERHLQADDLSQRLAEGSSEPSGAWRAELLEAVRAAWRVMWINRFRTALTLLGIIIGVASVVVMLAVGEGSKRQVMAQMGAFGSNIIYLSGYSPNPRAPMGIVSSDDVAAIATLPQVKKVMPVNGGELVVRYGNIDYHAYVGGNNTDFPEILNWPVAEGSYFTERDEDAATTVAVIGYKVRKKLFGSANPIGRYILIENVPFQVIGVLAEKGSSSGDKDADNRIAIPYSAASIRLFGTRNPEYVIIAAADAQRVHQAERAIDQLMLRLHRGQRDYELTNNAAMIQAEAKTQNTLSLMLGSIAAISLLVGGIGVMNIMLMTVRERTREIGIRMATGARQGDILRQFLTEAAMLSVVGGLAGIALALCIGGVLLLGQVAVAFSLSAIVGAFSCALVTGLVFGFMPARKAAQLDPVAALASQ |
| 2PCL Chain:A ((18-220)) | ----------------------------EILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELAELTHRTLEMKDGKVVGE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PCL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -116381 for 1585 contacts (-73.4/contact) +
2D Compatibility (PS) -22789 + (NN) -13843 + (LL) 33536
1D Compatibility (HY) -19200 + (ID) 4600
Total energy: -143277.0 ( -90.40 by residue)
QMean score : 0.497
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