Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLDVGPEDELPDWAAAKEFYQKYDPKDVIGRGVSSVVRRCVHRATGHEFAVKIMEVTAERLSPEQLEEVREATRRETHILRQVAGHPHIITLIDSYESSSFMFLVFDLMRKGELFDYLTEKV----ALSEKETRSIMRSLLEAVSFLHANNIVHRDLKPENILL---DDNMQIRLSDFGFSCHL-EPGEKLRELCGTPGYLAPEILKCSMDETHPGYGKEVDLWACGVILFTLLAGSPPFWHRRQILMLRMIMEGQYQFSSPEWDDRSSTVKDLISRLLQVDPEARLTAEQALQHPFFERCEGSQPWNLTPRQRFRVAVWTVLAAGRVALSTHRVRPLTKNALLRDPYALRSVRHLIDNCAFRLYGHWVKKGEQQNRAALFQHRPPGPFPIMGPEEEGDSAAITEDEAVLVLG |
3MFU Chain:A ((22-291)) | -------------------FEDVYELCEVIGKGAFSVVRRCINRETGQQFAVKIVDVAKFTSSPGLSTEDLKREASICHMLK----HPHIVELLETYSSDGMLYMVFEFMDGADLCFEIVKRADAGFVYSEAVASHYMRQILEALRYCHDNNIIHRDVKPENVLLASKENSAPVKLGDFGVAIQLGESGLVAGGRVGTPHFMAPEVVK------REPYGKPVDVWGCGVILFILLSGCLPFYGTKERL-FEGIIKGKYKMNPRQWSHISESAKDLVRRMLMLDPAERITVYEALNHPWLKERDRYAYKIHLPETVEQLRKFNARRKLKG------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MFU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -163457 for 2061 contacts (-79.3/contact) +
2D Compatibility (PS) -28033 + (NN) -17338 + (LL) 8540
1D Compatibility (HY) -28800 + (ID) 5350
Total energy: -234438.0 ( -113.75 by residue)
QMean score : 0.447
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