Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDIGAPVTVQVAVDPPYPVVIGTGLLD-----ELEDLLADRHKVAVVHQPGLAETAEEIRKRLAGKGVD------AHRIEIPDAEAGKDLPVVGFIWEVL--GRIGIGRKDALVSLGGGAATDVAGFAAATWLRGVSIVHLPTTLLGMVDAAVGGKTGINTDAGKNLVGAFHQPLAVLVDLATLQTLPRDEMICGMAEVVKAGFIADPVILDLIEADPQAALDPA-------GDVLPELIRRAITVKAEVVAADEKESELREILNYGHTLGHAIERRERYRWRHGAAVSVGLVFAAELARLAGRLDDATAQRHRTILSSLGLPVSYDPDALPQ-----------LLEIMAGDKKTRAGVLRFVVLD--GLAKPGRMVGPDPGLLVTAYAGVCAP |
1DQS Chain:A ((4-391)) | --------PTKISILGRESIIADFGLWRNYVAKDLISDCSSTTYVLVTDTNIGSIYTPSFEEAFRKRAAEITPSPRLLIYNRPPGEVSKSRQTKADIEDWMLSQNPPCGRDTVVIALGGGVIGDLTGFVASTYMRGVRYVQVPTTLLAMVDSSIGGKTAIDTPLGKNLIGAIWQPTKIYIDLEFLETLPVREFINGMAEVIKTAAISSEEEFTALEENAETILKAVRRRFEGTEEILKARILASARHKAYVVSADEREGGLRNLLNWGHSIGHAIEAILTPQILHGECVAIGMVKEAELARHLGILKGVAVSRIVKCLAAYGLPTSLKDARIRKLTAGKHCSVDQLMFNMALDKKNDGPKKKIVLLSAIGTPYETRASVVANEDIRVVL------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1DQS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -199328 for 3021 contacts (-66.0/contact) +
2D Compatibility (PS) -38079 + (NN) -15306 + (LL) 636
1D Compatibility (HY) -20000 + (ID) 5600
Total energy: -277677.0 ( -91.92 by residue)
QMean score : 0.451
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