Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIERYSREEMSNIWTDQNRYEAWLEVEILACEAWSELGHIPKADVQKIRQNAKVNVERAQEIEQETRHDVVAFTRQVSETLGEERKWVHYGLTSTDVVDTALSFVIKQANDIIEKDLERFIDVLAEKAKNYKYTLMMGRTHGVHAEPTTFGVKMALWYTEMQRNLQRFKQVREEIEVGKMSGAVGTFANIPPEIESYVCKHLGIGTAPVSTQTLQRDRHAYYIATLALIATSLEKFAVEIRNLQKTETREVEEAFAKGQKGSSAMPHKRNPIGSENITGISRVIRGYITTAYENVPLWHERDISHSSAERIMLPDVTIALDYALNRFTNIVDRLTVFEDNMRNNIDKTFGLIFSQRVLLALINKGMVREEAYDKVQPKAMISWETKTPFRELIEQDESITSVLTKEELDECFDPKHHLNQVDTIFERAGLA |
1C3U Chain:B ((2-427)) | -VERYSLSPMKDLWTEEAKYRRWLEVELAVTRAYEELGMIPKGVTERIRNNAKIDVELFKKIEEKTNHDVVAFVEGIGSMIGEDSRFFHYGLTSSDVLDTANSLALVEAGKILLESLKEFCDVLWEVANRYKHTPTIGRTHGVHAEPTSFGLKVLGWYSEMKRNVQRLERAIEEVSYGKISGAVGNYANVPPEVEEKALSYLGLKPEPVSTQVVPRDRHAFYLSTLAIVAAGIERIAVEIRHLQRTEVLEVEEPFR------SAMPHKKNPITCERLTGLSRMMRAYVDPSLENIALWHERDISHSSVERYVFPDATQTLYYMIVTATNVVRNMKVNEERMKKNIDLTKGLVFSQRVLLKLIEKGLTRKEAYDIVQRNALKTWNSEKHFLEYLLEDEEVKKLVTKEELEELFDISYYLKHVDHIFER---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1C3U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -174472 for 3429 contacts (-50.9/contact) +
2D Compatibility (PS) -44402 + (NN) -12211 + (LL) 376
1D Compatibility (HY) -42000 + (ID) 10900
Total energy: -283609.0 ( -82.71 by residue)
QMean score : 0.493
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