Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MHSEDQRPNDLIYGLDDRPRPLPAFLAALQHVLASFVGIVTPPLVIGSLLGLGEHLPYLISMALMVSGAGTLIQARRPFGIGAGMICLQGTSFAFLGAVLAAGMLVKQRGGGPEEILAMIFGVCFFGAFVQIVLSRFLGHLRRVITPLVTGIVITLIGVSLIKVGITDLGGGAGATDFGAPANLALGALVLLSIVLLNRSRLPWLRLAAIVIGLALGTLAAWATGLFVPRALPELPLVSLPQPFRFGFAFDWMAFLPVALIYLISSIETVGDLTANCMLSRQPLEGPAYLQRLRGGVLGDGVSCLLAATFSAFPNTTFAQNNGVIQLTGVASRHVGIYIGGVLLALGLFPWVGAILQQIPKPVLGGATLVMFGSVAAAGIRILGQTAMDRRSVLIIAASFGVGLGVAAQPTLLDQMPAVVKTLFDSAITSGGITAILLNLLLPEERVAEAAQASAKGGALARWRKPLG |
5AJI Chain:A ((70-127)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SALVRYGIIAFTLIAALGRVGVQTASVIAVLGAAGLAVGLALQGSLSNLAAGVLLVMFRPFRAGEYVDLGGVAGTVLSVQIFSTTMRTADGKIIVIPNGKII |
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General information:
TITO was launched using:
| RESULT:
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Template: 5AJI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -17231 for 270 contacts (-63.8/contact) +
2D Compatibility (PS) -5845 + (NN) -283 + (LL) 25708
1D Compatibility (HY) -4800 + (ID) 800
Total energy: -3251.0 ( -12.04 by residue)
QMean score : -0.199
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