Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGPRAGFYRQELNKTVWEVPQRLQGLRPVGSGAYGSVCSAYDARLRQKVAVKKLSRPFQSLIHARRTYRELRLLKHLKHENVIGLLDVFTPATSIEDFSEVYLVTTLMGADLNNIVKCQALSDEHVQFLVYQLLRGLKYIHSAGIIHRDLKPSNVAVNEDCELRILDFGLARQADEEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLQGKALFPGNDYIDQLKRIMEVVGTPSPEVLAKISSEHARTYIQSLPPMPQKDLSSVFHGANPLAIDLLGRMLVLDSDQRVSAAEALAHAYFSQYHDPDDEPEAEPYDESVEAKERTLEEWKELTYQEVLSFKPLEPSQLPGTHEIEQ |
1W83 Chain:A ((4-350)) | ---ERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVP-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1W83.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -219005 for 2702 contacts (-81.1/contact) +
2D Compatibility (PS) -37328 + (NN) -21524 + (LL) 732
1D Compatibility (HY) -48800 + (ID) 13200
Total energy: -339125.0 ( -125.51 by residue)
QMean score : 0.492
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