Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLALITDTSAYLPEAIENHEDVYVLDIPIIIDGKTY-IEGQNLTLDQYYDKLAA-SKELPKTSQPSLAELDDLLCQLEKEGYTHVLGLFIAAGISGFWQNIQFLIEEH----PNLTIAFPDTKITSAPQGNLVRNALMCSREGMDFDVIVNKIQSQIEKIEGFIVVNDLNHLVKGGRLSNGSAIIGNLLSIKPVLHFNEEGKIVVYEKVRTEKKALKRLAEIVKEM-T--ADGEYDIAIIHSRAQDKAEQLYNLLAKAGLKD--DLEIVSFGGVIATHLGEGAVAFGITPKN |
3NYI Chain:A ((4-292)) | -MYKIVSDSACDLSKEYLEKHDVTIVPLSVSFDGETYYRDGVDITRDECYQRMVDDPKLFPKTSLPSVESYADVFRSFVEQG-FPVVCFTITTLFSGSYNSAINAKSLVLEDYPDANICVIDSKQNTVTQALLIDQFVRMLEDGLSFEQAMSKLDALMASARIFFTVGSLDYLKMGGRIGKVATAATGKLGVKPVIIMK-DGDIGLGGIGRNRNKLKNSVLQVAKKYLDENNKDNFIVSVGYGYDKEEGFEFMKEVESTLDVKLDSETNVAIGIVSAVHTGPYPIGLGVIRKY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NYI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -135932 for 2412 contacts (-56.4/contact) +
2D Compatibility (PS) -31216 + (NN) -15933 + (LL) 404
1D Compatibility (HY) -12800 + (ID) 2900
Total energy: -198377.0 ( -82.25 by residue)
QMean score : 0.518
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