Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSYFRNYWYRFGAILFIILAVILLVFRPDWSMLHYLLYFNFMALLAHQFEEYQFPGGASPIINYVVYDEEELMDRFPGNTQSIMLVNTIAWLLYIASIAFPQAYWLGLGVMFFSLTQLLGHGFQMNIKLKTWYNPGLATTVFLLVPIACAYIYQASAEGMLTWGDWLGGFIMLIVCVLTSIIAPVQLLKDKKTNYIISPWQMDRFHKVINFVRIKK |
3PJQ Chain:A ((170-215)) | -------------------------------------------------------------------------------------------------------------------------------------------------PVSLKEFFPAEMEGMHT-NQFLGGAGVAIVASNGNLVYPVQVTNKKKQVFSKIFYSEDEGKTWKFGKGRSA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PJQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -15127 for 188 contacts (-80.5/contact) +
2D Compatibility (PS) -4952 + (NN) -4 + (LL) 13212
1D Compatibility (HY) -2000 + (ID) 800
Total energy: -9671.0 ( -51.44 by residue)
QMean score : -0.372
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