Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAYEHKWYIIKVNYGHERNILELVSNAVYFKEVFIPYQTVCNSKSDIKEVCEVYVCMYLCDESRDILSKTLGFHSGDSSNFKIVLDEEVNLKRKEFNKYKWYILRVASNYEEKVCQHVLENSMRLGVNDYFKEVFIPYEELSEVELRSKKAAMRRKCFPGYVFLYVDLCDEVLNFVNNIPKSLKVYGFLKNGSVPKVISDDEIYSMCN--ALYNAQETKKLSHGYEKGEKVKINDGLFQNFTGKVDMINDEKKIINIEVSILGKPTIIELDLAQVEKIED |
2XHC Chain:A ((228-352)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------RRKLFPGYVFVEMIMNDEAYNFVRSVPY---VMGFVSSGGQPVPVKDREMRPILRLAGLEEY------ELGFKVGDMVKIISGPFEDFAGVIKEIDPERQELKVNVTIFGRETPVVLHVSEVEKI-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XHC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -62407 for 680 contacts (-91.8/contact) +
2D Compatibility (PS) -12352 + (NN) -3943 + (LL) 13404
1D Compatibility (HY) -10800 + (ID) 2150
Total energy: -78248.0 ( -115.07 by residue)
QMean score : 0.517
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