Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVDMENRYRPPSPLDDSVLDSALFVRGMEELRDISQSMDEDALSSFEMTENQSGLGSGSESSTELDALTPASSPSSGVYGCPVGQDEFTSTSLNLECRVCSDRASGYHYGVHACEGCKGFFRRTIRLKLEYDKCERRCKIQKKNRNKCQYCRFQKCLSVGMSHNAIRFGRMPQSEKLRLKAEILTGERDVEDDQKTLAKQIYEAYVKNFNMNKSKARTILTGKTS-TPPFVIHDMETLQLAEQTFVAKMMGSCGGLLNKDPEVRIFHCCQCTSVETVTELTEFAKSVPGFSNLDLNDQVTLLKYGVHEALFAMLASCMNKDGLLVAYGSGFITREFLKSLRRPFSDMMEPKFQFAMKFNSLELDDSDLALFVAAIICCGDRPGLVNVPHIERMQESIVNVLHLHLKSNHPDHGFLFPKLLQKLVDLRQLVTEHAQLIQEIKKTE-DTSLHPLLQEIYRDMY |
3KMG Chain:A ((5-271)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIK--------EQ-SKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTET-MSLHPLLQEIYKDL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KMG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178071 for 1969 contacts (-90.4/contact) +
2D Compatibility (PS) -28239 + (NN) -22196 + (LL) 10652
1D Compatibility (HY) -33200 + (ID) 8050
Total energy: -259104.0 ( -131.59 by residue)
QMean score : 0.563
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