Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQENREEWGSKVGFILASAGSAIGIGAIWKLPYVAATAGGGAFFLLFLVLTLLVVMPLLIAEFVIGRGSG----GDAVQAYKTLAPGTKWSLLGKLGVVGASILFSFYSVVGGWIITYLIKTLAGGIA---GENQASLLHDFQ--------VTTANPWI---SVGATILFIL---LNVIVISRGVVSGIEKMSKFMMPALFILFIVLIIRS--LTLPG--AMEGVAFFLRPDFSHFTAQTVLI-TLGQAFFSLSVGISVMVTYSSYLNRSTSLPQSAISVSLMNVFVSLLAGLAI-FPAAFSF----NITPDAGPG---LLFVILPSIFNQMPFGMLFFIIFLILFLFAALTSSFSMLEATVAPLMNA-GVNRKKASLWMGLVIVLMAIPSALSFGVWSDVQIFGLSIFDAADYLVSNIILPVGALFIAIFVGYRLPRELLLKEFTTSSHFGKKVFIVWLFLIKYIAPIAIILVFLSATGLIDFLF |
3QS4 Chain:A ((5-390)) | ----REHWATRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIAFLLVGIPLMWIEWAMGRYGGAQGHGTTPAIFYLLWRNRFAKILGVFGLWIPLVVAIYYVYIESWTLGFAIKFLVGLVPEPP-TDPDSILRPFKEFLYSYIGVPKGDEPILKPSLFAYIVFLITMFINVSILIRGISKGIERFAKIAMPTLFILAVFLVIRVFLLETPNGTAADGLNFLWTPDFEKLKDPGVWIAAVGQIFFTLSLGVGAIITYASYVRKDQDIVLSGLTAATLNEKAEVILGGSISIPAAVAFFGVANAVAIAKAGAFNLGFITLPAIFSQTAGGTFLGFLWFFLLFFAGLTSSIAIMQPMIAFLEDELKLSRKHAVLWTAAIVFFSA-------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QS4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -368384 for 2954 contacts (-124.7/contact) +
2D Compatibility (PS) -36155 + (NN) -14160 + (LL) 9320
1D Compatibility (HY) -39600 + (ID) 6050
Total energy: -455029.0 ( -154.04 by residue)
QMean score : 0.369
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