Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTENEQLFWNRVLELSRSQIAPAAYEFFVLEARLLKIEHQTAVITLDNIEMKKLFWEQNLGPVILTAGFEIFNAEITANYVSNDLHLQETSFSNYQQSSNEVNTLPIRKIDSNLKEKYTFANFVQGDENRWAVSASIAVADSPGTTYNPLFIWGGPGLGKTHLLNAIGNQVLRDNPNARVLYITAENFINEFVSHIRLDSMEELKEKFRNLDLLLIDDIQSLAKKTLGGTQEEFFNTFNALHTNDKQIVLTSDRNPNQLNDLEERLVTRFSWGLPVNITPPDFETRVAILTNKIQEYPYDFPQDTIEYLAGEFDSNVRELEGALKNISLVADFKHAKTITVDIAAEAIRARKNDGPIVTVIPIEEIQIQVGKFYGVTVKEIKATKRTQDIVLARQVAMYLAREMTDNSLPKIGKEFGGRDHSTVLHAYNKIKNMVAQDDNLRIEIETIKNKIR |
2HCB Chain:C ((6-308)) | --------------------------------------------------------------------------------------------------------------------KYTLENFIVGEGNRLAYEVVKEALENLGSLYNPIFIYGSVGTGKTHLLQAAGNEA--KKRGYRVIYSSADDFAQAMVEHLKKGTINEFRNMYKSVDLLLLDDVQFLSGKE--RTQIEFFHIFNTLYLLEKQIILASDRHPQKLDGVSDRLVSRFEGGILVEI-ELDNKTRFKIIKEKLKEFNLELRKEVIDYLL-ENTKNVREIEGKIKLIKLKG-----------FEGLERKERKERDKLMQIVEF------VANYYAVKVEDILSDK-NKRTSEARKIAMYLCRKVCSASLIEIARAF---DHTTVIHAIRSVEEEKK--RKFKHLVGFLEKQAF |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HCB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -111132 for 2200 contacts (-50.5/contact) +
2D Compatibility (PS) -31720 + (NN) -13377 + (LL) 11512
1D Compatibility (HY) -26800 + (ID) 5600
Total energy: -177117.0 ( -80.51 by residue)
QMean score : 0.501
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