Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSAKAIDYRTRLSDFMTEHVFGAEADYDDYRRAAGPADHTAPPIIEELKTKAKDRGLWNLFLSA---ESGLTNLEYAPLAEMTGWSMEIAPEALNCAAPDTGNMEILHMFGTEQQRAQWLRPLLDGKIRSAFSMTEPAVASSDARNIETTISRDGADYVINGRKWWTSGAADPRCKILIVMGRTNPDAAAHQQQSMVLVPIDTPGVTIVRSTPVFGWQDRHGHCEIDYHNVRVPATNLLGEEGSGFAIAQARLGPGRIHHCMRALGAAERALALMVNRVRNRVAFGRPLAEQGVVQQAIAQSRNEIDQARLLCEKAAWTIDQHGNKEARHLVAMIKAVAPRVACDVIDRAIQVHGAAGVSDDTPLARLYGWHRAMRIFDGPDEVHLRSIARAELSREKSTFAAAVT |
| 4IRN Chain:A ((40-414)) | WNSQQIQFRKKVIQFAQQSLISDLIKNDKE-----------EIFNRDAWQKCSEFGVHGWPIPARYGGQELDILTTAYALQGLGYGCKDNGLIFAMNAHIWACEMPLLTFGTEEQKEKYLPLLCRGGWIASHAATEPQ-AGSDIYSLKTTAQKDGDKYILNGYKHYVTNGTI--ADLFIIFATIDPS-LGKEGLTTFMIEKDTPGLILSKPISKMGMRT-AEVPELRLENCEVSAANRLGEEGTGLAIFNHSMEWERGFILAAAVGTMERLLEQSIRYARSHKQFGQAIGKFQLVANKLVEMKLRLENAKAYLYKVAWMKENKQ--MALLEASMANLYISEAWVQSCLEAIEIHGAYGYLTNTELERELRDAIASKFYSGTSEIQRVVIAKFL------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IRN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -158310 for 3241 contacts (-48.8/contact) +
2D Compatibility (PS) -40640 + (NN) -21291 + (LL) 2112
1D Compatibility (HY) -13200 + (ID) 4250
Total energy: -235579.0 ( -72.69 by residue)
QMean score : 0.460
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