Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTEFHSGFVCLVGRPNTGKSTLTNALVGAKVAITSTRPQTTRHAIRGIVHS-DDFQIILVDTPGLHRPRT--LLGKRLNDLVRETYAAVDVIGLCIPADEAIGPGDRWIVEQLRSTGPANTTLVVIVTKIDKVPKEK-VVAQLVAVSELVTNAAEIVPVSAMTGDRVDLLIDVLAAALPAGPAYYPDGELTDEPEEVLMAELIREAALQGVRDELPHSLAVVIDEVSPREGRDDLIDVHAALYVERDSQKGIVIGKGGARLREVGTAARSQIENLLGTKVYLDLRVKVAKNWQRDPKQLGRLGF |
3IEV Chain:A ((7-306)) | --HMKVGYVAIVGKPNVGKSTLLNNLLGTKVSIISPKAGTTRMRVLGVKNIPNEAQIIFLDTPGIYEPKKSDVLGHSMVEIAKQSLEEADVILFMIDATEGWRPRDEEIYQNFIKPL--NKPVIVVINKIDKIGPAKNVLPLIDEIHKKHPELTEIVPISALKGANLDELVKTILKYLPEGEPLFPEDMITDLPLRLLAAEIVREKAMMLTREEVPTSIAVKINEIKPGDANPNMLVIKGEIIVDRENLKPIIIGKKGQRLKEIGKRARQELELILGRPVYLELWVKVVPDWRRRPEYVRLFGY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IEV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -205102 for 2410 contacts (-85.1/contact) +
2D Compatibility (PS) -32927 + (NN) -17382 + (LL) 264
1D Compatibility (HY) -29600 + (ID) 5400
Total energy: -290147.0 ( -120.39 by residue)
QMean score : 0.610
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