Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKVYEIFILDWRRLFKAPLALLLVIALIILPSLYAWFNIEALWDPYSNTSGIKVAVSIDDEGAEIDVPGKKPQQVNVGNQLKKTLEKNKKLGWTFVSEDEAKKGVKSGKYYASIHIPKDFSEDMVSVVNDNVTKPTIDYSVNEKINAIAPKMTESGATTIVNQISSEFVGTVSKAVLEEFNKAGIDLENELPTIRRLKTKVFQVQDALPELKKMGAEAVKIEAKLPELKAKANQVVELNEKIPELNKATENVLLVEQQLPKIDQLGQDILVLQKKIPEIKQIAESVKEVDENFGTIKKTVNDAVNESGKALDVIDTAMAAIPTVEKIAQNGSGYVDKVSDFADEINKSFDTLAPAIKQNLTLMKQMADNIYQVTEAIKNGSITPEQAITELKKMEQDIDSLQQMITKQTATLESLNETLPNKPFTDLIANLKTINSQLGAQKETITKVRTELENGAQPSEELLNQLNEQAKNVSEKLDQILANYDSEIVPAIKVGLNQIQGDLKDSQKLLETLQAKIPEITQVLKDSRETLQTGQTYLEEFQERLPEIQKTLDEATKVINTKLDTIIAGINEAANFYQNDYPNVKANIKKAANFIRDDLPGLEKEINQASGLIQEKMPEFEKAIKIAADLSREELPEFEKAINNAANKITDFDKNYDLQSIIKMLRNDADKDSSFIASPVKLKETSYYPIPNYGSASSPFYTALCLWVGALLLISLLRVDVEVPAGIFSHYHRYFGRLLTFLSIGLMQALIVTLGNIFLLGVSIAEPLLHVLFSMFISVVFMTIVYTLVSLFNNVGKGIAIILLVLQISGAGGNFPIQVSPPFFQAIYPFLPFTYAVSLIRESVGGLYMPTVWIDMSVLAGFAILFITLGILLKKPLDKVVPKLSEKAKRSKLIH |
2H7O Chain:A ((439-731)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RITPKKLRELSDLLRTHLSSAATKQLDMGGVLSDLDTMLVALDKAEREVD-----KDQLKSFNSLILKTYRVIEDYVKGN-FMLSIVEPSLQRIQKHLDQTH--SFSDIGSLVRAHKHLETLLEVLVTLSQPV--------SSETYGFLNRLAEAKITLSQQLNTLQQQQESAKAQLSILINRSGSWADVARQSLQRFDSTRPVVKFGTEQYTAIHRQMMAAHAAITLQEVSEFTDDMRNFTVDSIPLLIQLGRSSLMDEHLVEQREKLRELTTIAERLNRLEREW------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2H7O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -11427 for 1851 contacts (-6.2/contact) +
2D Compatibility (PS) -27912 + (NN) 2749 + (LL) 47404
1D Compatibility (HY) -5200 + (ID) 1400
Total energy: 4214.0 ( 2.28 by residue)
QMean score : 0.491
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