Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | -------------------MVKVQTGGKLYIAGEYAILYPGQV---AILKNIPIYMT-----ALATFADNYSLYSDMFNYTASLQPDKQYSLIQETILLMEEWLINFGKNIKPIHLEITGKLERYGLKFGIGSSGSVVVLTIKAMAALYEIEMPSDLLFKLSAYVLLK-RGDNGSMGDIACIAYEH-----LISYSAFDRRAVSK--------MIETKPLEQVLEAEWGYRITKIQASLE-MDFLVGWTMQPSISKEMINIVKSTITQRFLDDTNYQVVQLLSAFKEGDKEAIKRCLEEISLLLFNLHPSIY------TDKLQKLKEASKGLDIV--TKSSGSGGGDCGIAISFNKNDNQTLIKRWESAGIELLSKETLS------------ |
| 1PIE Chain:A ((29-416)) | TVLSALTEKFAEVFGDTKEVEYFFSPGRINLIGEHTDYNGGYVFPASITIGTTGLARLREDKKVKLYSENFPKLGVIEFDLDEVEKKDGELWSNYVKGMIVMLKGAGYEIDKGFELLIKGEIPT---ASGLSSSASLELLVGVVLDDLFNLNVPRLELVQLGQKTENDYIGVNSGILDQFAIGFGEVKKAIELDCNTLKYEMVPVELRDYDIVIMNTNKPRALTESKYNERFAETREALKRMQTRLDIQSLGELSNEEFDANTDLIGDETLIKRARHAVYENNRTKIAQKAFVAGNLTKFGELLNASHASLKDDYEVTGLELDTLAETAQKQAGVLGARMTGAGFGGCAIAL-VAHDNVSAFRKAVGQVYEEVVGYPASFYVAQIGSGSTKL |
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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) -111571 for 2796 contacts (-39.9/contact) +
2D Compatibility (PS) -34151 + (NN) -4378 + (LL) 68
1D Compatibility (HY) -6000 + (ID) 2700
Total energy: -158732.0 ( -56.77 by residue)
QMean score : 0.279
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