Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKFLDLFAGIGGFRLGLESQGHECLGFCEIDKFARKSYKAIFETEGEVEFHDIRQVTDQDFRKFRGQVDIICVGFPCQAFSLAGRRLGFEDTRGTLFFELARAAQQIQPRFLFLENVKGLLSHDKGATFRTILTTLDELGYDVEWQVLNSKDFQVPQNRERVFLIGHSRRYRPRFLFPLRREGSPTDIERLGNINPSKHGMSGQVYLTSGLAPTLTRGKGEGTKIAVPVLTPDRLEKRQNGRRFKDNQDTMFTLTAQDKHGVVVAGNLPTAFVQTGRVYDISGISPTITTMQGGDKVPKILLRETLPHLKIKEATKTGFAKATLGDSVNLAYPKSNSHRGRVGQGISNTLTTSGNMGVVVAALEYRKDKWYEVTGIVLDGKLYRLRIRRLTPRECFRLQGFPDWAYERAEAVSSKSQLYKQAGNSVTVNVIAAIAEKFRKIEEEEHETLT |
| 2HR1 Chain:A ((12-169)) | LRFIDLFAGLGGFRLALESCGAECVYSNEWDKYAQEVYEMNF---GEKPEGDITQVNEKTIPDH----DILCAGFPCQAFSISGKQKGFEDSRGTLFFDIARIVREKKPKVVFMENVKNFASHDNGNTLEVVKNTMNELDYSFHAKVLNALDYGIPQKRERIYMICFRNDLNIQNFQFPKPFELNTFVKDLLLPDSEVEHLVIDRKDLVMTNQEIEQTTPKTVRLGIVGKGGQGERIYSTRGIAITLSAYGGGIFAKTGGYLVNGKTRKLHPRECARVMGYPDSYKVHPSTSQAYKQFGNSVVINVLQYIAYNIGSSLNFKPY------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HR1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -124293 for 1187 contacts (-104.7/contact) +
2D Compatibility (PS) -16981 + (NN) -4171 + (LL) 6260
1D Compatibility (HY) -15200 + (ID) 3900
Total energy: -158285.0 ( -133.35 by residue)
QMean score : 0.589
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