Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGNAPAKKDTEQEESVNEFLAKARGDFLYRWGNPAQNTASSDQFERLRTLGMGSFGRVMLVRHQETGGHYAMKILNKQKVVKMKQVEHILNEKRILQAI-DFPFLVKLQFSFKDNSYLYLVMEYVPGGEMFSRLQRVGRFSEPHACFYAAQVVLAVQYLHSLDLIHRDLKPENLLIDQQGYLQVTDFGFAKRV---KGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAVGFPPFYAD--Q--PIQIYEKIVSGRVRFPSKLSSDLKHLLRSLLQVDLTKRFGNL-RNGVGDIKNHKWFATTSWIAIYEKKVEAPFIPKYTGPGDASNFDD-YEEEELRISINEKCAKEFSEF |
4DC2 Chain:A ((49-364)) | --------------------------------------LGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMRVVKKELVN----IDWVQTEKHVFEQASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQRQRKLPEEHARFYSAEISLALNYLHERGIIYRDLKLDNVLLDSEGHIKLTDYGMCKEGLRPGDTTSTFCGTPNYIAPEILRGEDYGFSVDWWALGVLMFEMMAGRSPFDIVGS-NTEDYLFQVILEKQIRIPRSLSVKAASVLKSFLNKDPKERLGCHPQTGFADIQGHPFFRNVDWDMMEQKQVVPPFKPNISGEFGLDNFDSQFTNEPVQLTPDDDDIVRKIDQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4DC2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -175810 for 2427 contacts (-72.4/contact) +
2D Compatibility (PS) -31348 + (NN) -15247 + (LL) 2416
1D Compatibility (HY) -26400 + (ID) 5550
Total energy: -251939.0 ( -103.81 by residue)
QMean score : 0.724
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