Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQRLYRKRIVLGVGGGIAAYKSAELVRRLRDQGAEVRVVMTQGGREFITPLTLQALSGHPVHTDLLDPAAEAAMGHIELARWADLVLIAPATADLMARLVQGVANDLLTTLVLATDAQIALAPAMNQAMWRDTATQANAELLRQRGFHLFGPAAGSQACGDVGLGRMLEAEELAQRAADCFQRQALTGVHVLITAGPTQENIDPVRYITNHSSGKMGFALAEAAVEAGARVTLVTGPVHLPTPDRVQRVDVVSARDMLAACEAAM-PCDLLIASAAVADYRPEVVAAHKLKKDPTSGEGLLLQLVRNPDILATLAQRED-RPFSVGFAAETENLLDYAARKLKDKNLDLIVANDVANPSIGFNSDENAITVIDRDLHPSTFAQTSKGKIARQLVAFIADRLNQQ |
1U80 Chain:A ((6-195)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKHLNIMITAGPTREPLDPVRYISDHSSGKMGFAIAAAAARRGANVTLVSGPVSLPTPPFVKRVDVMTALEMEAAVNASVQQQNIFIGCAAVADYRAATVAPEKIKK------ELTIKMVKNPDIVAGVAALKDHRPYVVGFAAETNNVEEYARQKRIRKNLDLICANDVSQPTQGFNSDNNALHLFWQD----------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1U80.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -108797 for 1439 contacts (-75.6/contact) +
2D Compatibility (PS) -19975 + (NN) -13296 + (LL) 17656
1D Compatibility (HY) -17600 + (ID) 5150
Total energy: -147162.0 ( -102.27 by residue)
QMean score : 0.468
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