Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLDVGPEDELPDWAAAKEFYQKYDPKDVIGRGVSSVVRRCVHRATGHEFAVKIMEVTAERLSPEQLEEVREATRRETHILRQVAGHPHIITLIDSYESSSFMFLVFDLMRKGELFDYLTEKV----ALSEKETRSIMRSLLEAVSFLHANNIVHRDLKPENILL---DDNMQIRLSDFGFSCHL-EPGEKLRELCGTPGYLAPEILKCSMDETHPGYGKEVDLWACGVILFTLLAGSPPFWHRRQILMLRMIMEGQYQFSSPEWDDRSSTVKDLISRLLQVDPEARLTAEQALQHPFFERCEGSQPWNLTPRQRFRVAVWTVLAAGRVALSTHRVRPLTKNALLRDPYALRSVRHLIDNCAFRLYGHWVKKGEQQNRAALFQHRPPGPFPIMGPEEEGDSAAITEDEAVLVLG |
3MFS Chain:A ((22-291)) | -------------------FEDVYELCEVIGKGAFSVVRRCINRETGQQFAVKIVDVAKFTSSPGLSTEDLKREASICHMLK----HPHIVELLETYSSDGMLYMVFEFMDGADLCFEIVKRADAGFVYSEAVASHYMRQILEALRYCHDNNIIHRDVKPENVLLASKENSAPVKLGDFGVAIQLGESGLVAGGRVGTPHFMAPEVVK------REPYGKPVDVWGCGVILFILLSGCLPFYGTKERL-FEGIIKGKYKMNPRQWSHISESAKDLVRRMLMLDPAERITVYEALNHPWLK------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MFS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -166828 for 2072 contacts (-80.5/contact) +
2D Compatibility (PS) -28160 + (NN) -18634 + (LL) 9460
1D Compatibility (HY) -28800 + (ID) 5350
Total energy: -238312.0 ( -115.02 by residue)
QMean score : 0.433
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