Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKVYLRKIDNQILHNKRISIKKGILEHFFDKANNQDEVDMSGILSNYNDKVSILLATDPRLGGGIKRIISAEVDKIKENRLDYELKIDDILLFTYISYKKYTLEIILLADTRYNVLNGLINNSKHLLVFSENETRTLDDGKINESVRIDGGKNIILYGVPGSGKSYTLQRDYCNNSVVEKIVFHPDYSYSDFVGQIMPSVDDSGIVSYKFNPGPFTNILKKAYHNPQTKHVLVIDEINRGNVPAIFGEIFQLLDRLKHDKDGFKKGSSEYAINNTDIANIVHNDKNASIRIPSNLWIVATMNTSDQNVFTLDTAFQRRFSMQLVENSFENVDDDFKNMKILDTDMTWQKFCTTINEKIAQNNEGLSSMEDKRFGVYFVSIDDLKSKENFAHKVIKYLWDDVFKFDRNIIFNTTKFNTLEAVVKNFIKEKDRTQFDVFSDDIKELLFNV |
3WHL Chain:A ((7-65)) | -------------------------------------------------------------------------------------------------------EVVERPNVTYNDIGGL---KKQLQELREAIELPLKHPELFEEVGIDPPKGVLLYGPPGCGKTLMAKAIAHEVNATFIRVVGSELVARLVHELFELAKEKAPTIIFIDEIDAIGAKNRTLMQLLAEMDGFDPRGNVKVIAATNRPDILDPALLRPGRFDRLIEVPLPDEFSRAQILQIHSRKMTTDDDINWQELARSTDEFNGAQLKAVTVEAGMIALRNGQSSVKHEDFVEGISEVQAR---------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WHL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 498 for 259 contacts (1.9/contact) +
2D Compatibility (PS) -6140 + (NN) -1514 + (LL) 12696
1D Compatibility (HY) -3600 + (ID) 1050
Total energy: 890.0 ( 3.44 by residue)
QMean score : 0.144
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