Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VKKNLEQIYAIEFTMGLRYRPMQIRHNIKLIFLLLLFVTWLQGDFMNRLPGNLDITKVDMPLVLLALLCYIILYPQKMTIRFQNLQYLLYICCFQFLVFMVIRYFYSNLIYGIQNMVSLTAQTLVASYVFLLVLWILALIFFYFHFRKKLRNGDYRKDSELQKKRSNLGLKLSKGSYILIGAFFVFILSSQIVGGIMVDIMIISIEIVGIALCSMGIVIFPEQLFTAYCKFKFKEFHIEE |
1A1W Chain:A ((14-36)) | -SLSSSELTELKYLCLGRVGKRKL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1A1W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -3584 for 104 contacts (-34.5/contact) +
2D Compatibility (PS) -2359 + (NN) -304 + (LL) 21528
1D Compatibility (HY) -800 + (ID) 50
Total energy: 14431.0 ( 138.76 by residue)
QMean score : -0.071
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