Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQPPPDEARRDMAGDTQWSRPECQAWTGTLLLGTCLLYCARSSMPICTVSMSQDFGWNKKEAGIVL------------SSFFWGYC-----LTQVVGGHLGDRI-GGEKVILLSASAWGSITAVTPLLAHLSSAHLAFMTFSRILMGLLQGVYFPALTSLLSQKVRESER-----AFT--YSIVGAGSQFGTLLTGAVGSLLLEWY----GWQSIFYFSGGLTLLWVWYVYRYLLSEKDLILALGVLAQSRPVSRHNRVPWRRLFRKPAVWAAVVSQLSAACSFFILLSWLPTFFEETFPDAKGWIFNVVPWLVAIPASLFSGFLSDHLINQGYRAITVRKLMQGMGLGLSSVFALCLGHTSSFCESVVFASASIGLQTFNHSGISVNIQDLAPSCAGFLFGVANTAGALAGVVGVCLGGYLMETTGSWTCLFNLVAIISNLGLCTFLVFGQAQRVDLSSTHEDL |
4TPG Chain:A ((8-182)) | ------------------------------------VSKTHSFMTVSLIELWERFGYYGMQALIVYFMVQRLGFDDSRANLVWSACAALIYVSPAIGGWVGDKILGTKRTMLLGA----GILSVGYALMTVPTENTWFMFSALGVIVVGNGLFKPNAGNLV-RKIYE---SKIDSAFTIYYMAVNVGSTFSMLLTPWIKDYVNAQYGNEFGWHAAFAVCCVGILVGLGNYALMHKSLANYGSEPDTRPVNKKSLAIVLALAALSVVASAIILEYEDVARVFVYAAGVAVLGIFFHLIRPSERAGLIAALILTVQTVFFFIFYQQMSTSLALFALRNVDWDFQVFGTHLWTWSPAQFQALNPIWIMVLSPVLAWIAAKFALGFAVVAIGFFIYGFAGQFAVNGKTSSWVMIWGYASYSLGELLVSGLGLAMIARYFMMGAYFVASGISQYLGGVVANFASVPQDLV |
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General information:
TITO was launched using:
| RESULT:
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Template: 4TPG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -77662 for 1010 contacts (-76.9/contact) +
2D Compatibility (PS) -14172 + (NN) 1287 + (LL) 1968
1D Compatibility (HY) -12000 + (ID) 2150
Total energy: -102729.0 ( -101.71 by residue)
QMean score : -0.036
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