Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKQYDYIVIGGGSAGSGTANRAAMYGAKVLLIEGGQ----------VGGTCVNLGCVPKKIMWYGAQVSETLHKYSSGYGFEVNN-LNFDFTTLKANRDAYVQRSRQSYAANFERNGVEKIDGFARFIDNHTI----EVNGQQYKAPHITIATGGHPLYPDIIGS-ELGETSDDFFGWETLPDSILIVGAGYIAAELAGVVNELGVETHLAFRKDHILRGFDDMVTSEVMAEMEKSGISLHANHVPKSLKRDEGGKLIFEAENGKT-----LVVDRVIWAIGRGPNVD-MGLENTDIVLNDKGYIKTDEFENTSVDGVYAIGDV-NGKIALTPVAIAAGRRLSERLFNHKDNEKLDYHNVPSVIFTHPVIGTVGLSEAAAIEQFGEDNIKVYTSTF--TSMYTAVTTNRQAVKMKLITLGKEEKVIGLHGVGYGIDEMIQGFSVAIKMGATKADFDDTVAIHPTGSEEFVTMR |
3DGH Chain:B ((7-474)) | -SYDYDLIVIGGGSAGLACAKEAVLNGARVACLDFVKPTPTLGTKWGVGGTCVNVGCIPKKLMHQASLLGEAVHE-AAAYGWNVDDKIKPDWHKLVQSVQNHIKSVNWVTRVDLRDKKVEYINGLGSFVDSHTLLAKLKSGERTITAQTFVIAVGGRPRYPDIPGAVEYGITSDDLFSLDREPGKTLVVGAGYIGLECAGFLKGLGYEPTVMVRS-IVLRGFDQQMAELVAASMEERGIPFLRKTVPLSVEKQDDGKLLVKYKNVETGEESEDVYDTVLWAIGRKGLVDDLNLPNAGVTVQ-KDKIPVDSQEATNVANIYAVGDIIYGKPELTPVAVLAGRLLARRLYG-GSTQRMDYKDVATTVFTPLEYACVGLSEEDAVKQFGADEIEVFHGYYKPTEFFIPQKSVRYCYLKAVAERHGDQRVYGLHYIGPVAGEVIQGFAAALKSGLTINTLINTVGIHPTTAEEFTRLA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DGH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -216356 for 3727 contacts (-58.1/contact) +
2D Compatibility (PS) -47796 + (NN) -8431 + (LL) 192
1D Compatibility (HY) -36400 + (ID) 8700
Total energy: -317491.0 ( -85.19 by residue)
QMean score : 0.510
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