Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKRILFFLAATTFLLRAETASATINTTVDPNVMFSESSTGNVKKDRKRVLKSMVDLEKERVKNFNQYSETKMSKGDLSAFGAFFKGSLEDCVEQKICYYEHRNGKVSFVVNDREKFYKHVLKDLGTELSLPLFNWLYKGSDFGALHEQFGDMYDGYIKYLISMVRVSQKEKARKVDAIVLKKMEEQAEKDTKAAFQKRSSGELESHTDSPEFISSSKTQNSSNPDLDPMTNANTLKETASKEPETSSKKEKKPKKKRRLSKKEKQQQALQQEFEKQISDSSKSEK |
| 3CL3 Chain:D ((193-251)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QQHSVQVDQLRMQGQSVEAALRMERQAASEEKRKLAQLQVAYHQLFQEYDNHIKSSVVG-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CL3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 23445 for 233 contacts (100.6/contact) +
2D Compatibility (PS) -6450 + (NN) -1811 + (LL) 15248
1D Compatibility (HY) -1200 + (ID) 500
Total energy: 28732.0 ( 123.31 by residue)
QMean score : 0.589
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