Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKQIKALALFSGGLDSLLSMKLLIDQGIEVTALHFNIGFGGNKDKREYFENATAQIGAKLLVCDIREQFFNDVLFKPKYGYGKYFNPCIDCHANMFRNAFYKMLELDADFVLSGEVLGQRPKSQRKEALNQVRKLVREVGEEARFDLILDRTQASGEKPQFLDELLLRPMSAKLLEPTFMEKKGWVDREKLLDVSGRGRARQLQMIKDYGL-KYYEKPGGGCLLTDIQVSNKIKNLKEYREMVFEDGVIVKNGRYFVLPHNARLVVARNEEENHKLDIEHPLMDKIELLGCKGPLSLVDKNASQEDKELAGRIALGYAKTLKNQAYLIQIGNEKRELYPLDKENAREYLFA |
3K32 Chain:A ((6-180)) | --LMDVHVLFSGGKDSSLSAVILKKLGYNPHLITINFGVI---PSYKLAEETAKILGFKHKVITLDRKIVEKAADMII--EHKYPGPAIQY--VHK-TVLEILAD-EYSILADGTRRDDRVPKLSYSEIQSLE-------------------------MRK-NIQYITPLMGF------------------------GYKTLRHLASEFFILEEIKS----------DYEAEIRHILKERGESPEKYFPEKQTRVVGLKKEI----------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K32.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -60642 for 1311 contacts (-46.3/contact) +
2D Compatibility (PS) -18027 + (NN) -7741 + (LL) 10800
1D Compatibility (HY) -3600 + (ID) 1350
Total energy: -80560.0 ( -61.45 by residue)
QMean score : 0.417
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