Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -------------LYQMKNKLQVKIPGKLYVAGEYAVVESGHTAILTAVNRYITLTLEDSERNELWIP----HYENPVSWPVGGELKPDGEHWTFTAEAINIATTFLKSEGIELTPVKMIIETELIDQSGAKYGLGSSAAATVAVINALMTKFYPEISMLKKFKLAALSHLVVQG-NGSCGDIASCMYGG-----WIAYTTFDQEWVKHRLAYKSLEWF----------MKEPWPMLQIETLEEPVPTFSVGWTGTPVSTGKLVSQIHAFKQEDSKNYQHFLTRNNEIMKQIIQAFHTKDEELLYSAIKENRRILQELGTKAGVNIETSLLKELADSAENMGGA--GKSSGSGGGDCGIAFSKTKELAEKLVNEWEKLGIKHLPFHTGRVQITE------- |
1PIE Chain:A ((29-416)) | TVLSALTEKFAEVFGDTKEVEYFFSPGRINLIGEH-TDYNGGYVFPASITIGTTGLARLREDKKVKLYSENFPKLGVIEFDLDEVEKKDGELW---SNYVKGMIVMLKGAGYEIDKGFELLIKGEIPTAS---GLSSSASLELLVGVVLDDLFNLNVPRLELVQLGQKTENDYIGVNSGILDQFAIGFGEVKKAIELDCNTLKYEMVPVELRDYDIVIMNTNKPRALTESKYNERFAETREALKRMQTRLDIQSLGELSNEEFDANTDLIGDETLIKRARHAVYENNRTKIAQKAFVAGNLTKFGELLNASHASLKD-----DYEVTGLELDTLAETAQKQAGVLGARMTGAGFGGCAIALVA-HDNVSAFRKAVGQVYEEVVGYPASFYVAQIGSGSTKL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PIE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -103775 for 3056 contacts (-34.0/contact) +
2D Compatibility (PS) -37134 + (NN) -7983 + (LL) 996
1D Compatibility (HY) -2800 + (ID) 2800
Total energy: -153496.0 ( -50.23 by residue)
QMean score : 0.428
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