Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVDTESPICPLSPLEADDLESPLSEEFLQEMGNIQEISQSLGEESSGSFSFADYQYLGSCPGSEGSVITDTLSPASSPSSVSCPAVPTSTDESPGNALNIECRICGDKASGYHYGVHACEGCKGFFRRTIRLKLAYDKCDRSCKIQKKNRNKCQYCRFHKCLSVGMSHNAIRFGRMPRSEKAKLKAEILTCEHDLKDSETADLKSLAKRIHEAYLKNFNMNKVKARVILAGKTSNNPPFVIHDMETLCMAEKTLVAKMVANGVENKEAEVRFFHCCQCMSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFTMLSSLMNKDGMLIAYGNGFITREFLKNLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNIGYIEKLQEGIVHVLKLHLQSNHPDDTFLFPKLLQKMVDLRQLVTEHAQLVQVIKKTESDAALHPLLQEIYRDMY |
2NPA Chain:A ((199-467)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ETADLKSLAKRIYEAYLKNFNMNKVKARVILSGAASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDM- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2NPA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181801 for 2117 contacts (-85.9/contact) +
2D Compatibility (PS) -29579 + (NN) -26389 + (LL) 9324
1D Compatibility (HY) -41200 + (ID) 12450
Total energy: -282095.0 ( -133.25 by residue)
QMean score : 0.455
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