Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDLAGTTRLLRAQGVTAPAGFRAAGVAAGIKASGALDLALVFNEGPDYAAAGVFTRNQVKAAPVLWTQQVLTTGRLRAVILNSGGANACTGPAGFADTHATAEAVAAALSDWGTETGAIEVAVCSTGLIGDRLPMDKLLAGVAHVVHEMHGGLVGGDEAAHAIMTTDNVPKQVALHHHDNWTVGGMAKGAGMLAPSLATMLCVLTTDAAAEPAALERALRRAAAATFDRLDIDGSCSTNDTVLLLSSGASEIPPAQADLDEAVLRVCDDLCAQLQADAEGVTKRVTVTVTGAATEDDALVAARQIARDSLVKTALFGSDPNWGRVLAAVGMAPITLDPDRISVSFNGAAVCVHGVGAPGAREVDLSDADIDITVDLGVGDGQARIRTTDLSHAYVEENSAYSS |
3IT6 Chain:D ((1-205)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TMLCVLTTDAAAEPAALERALRRAAAATFDRLDIDGSCSTNDTVLLLSSGASEIPPAQADLDEAVLRVCDDLCAQLQADAEGVTKRVTVTVTGAATEDDALVAARQIARDSLVKTALFGSDPNWGRVLAAVGMAPITLDPDRISVSFNGAAVCVHGVGAPGAREVDLSDADIDITVDLGVGDGQARIRTTDLSHAYVEENSAYSS |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IT6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -118475 for 1563 contacts (-75.8/contact) +
2D Compatibility (PS) -22967 + (NN) -17824 + (LL) 12532
1D Compatibility (HY) -24400 + (ID) 10250
Total energy: -181384.0 ( -116.05 by residue)
QMean score : 0.635
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