Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTLDVGPEDELPDWAAAKEFYQKYDPKDVIGRGVSSVVRRCVHRATGHEFAVKIMEVTAERLSPEQLEEVREATRRETHILRQVAGHPHIITLIDSYESSSFMFLVFDLMRKGELFDYLTEKVALSEKETRSIMRSLLEAVSFLHANNIVHRDLKPENILLDDNMQ----IRLSDFGFSCHLEPGEKLREL-CGTPGYLAPEILKCSMDETHPGYGKEVDLWACGVILFTLLAGSPPFWHRRQIL---MLRMIMEGQYQFSSPEWDDRSSTVKDLISRLLQVDPEARLTAEQALQHPFFERCEGSQPWNLTPRQRFRVAVWTVLAAGRVALSTHRVRPLTKNALLRDPYALRSVRHLIDNCAFRLYGHWVKKGEQQNRAALFQHRPPGPFPIMGPEEEGDSAAITEDEAVLVLG |
| 2WNT Chain:B ((26-320)) | --------------------SDGYVVKETIGVGSYSECKRCVHKATNMEYAVKVID-KSKRDPSEEIE-----------ILLRYGQHPNIITLKDVYDDGKHVYLVTELMRGGELLDKILRQKFFSEREASFVLHTIGKTVEYLHSQGVVHRDLKPSNILYVDESGNPECLRICDFGFAKQLRAENGLLMTPCY----------K------RQGYDEGCDIWSLGILLYTMLAGYTPFANGPSDTPEEILTRIGSGKFTLSGGNWNTVSETAKDLVSKMLHVDPHQRLTAKQVLQHPWVTQ-KDKLPQSQLSHQDLQL-VKGAMAATYSALNSSK------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WNT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156411 for 2162 contacts (-72.3/contact) +
2D Compatibility (PS) -29049 + (NN) -13449 + (LL) 8328
1D Compatibility (HY) -21200 + (ID) 5350
Total energy: -217131.0 ( -100.43 by residue)
QMean score : 0.403
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