Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCCAVCGPEPGRIGEVTPLGPCPAQHRGGPLRPSELAQASVMAALCAVTAIISVVVPFAAGLALLGTVPTGLLAYRYRLRVLAAATVAAGMIAFLIAGLGGFMGVVHSAYIGGLTGIVKRRGRGTPTVVVSSLIGGFVFGAAMVGMLAAMVRLRHLIFKVMTANVDGIAATLARMHMQGAAADVKRYFAEGLQYWPWVLLGYFNIGIMIVSLIGWWALSRLLERMRGIPDVHKLDPPPGDDVDALIGPVPVRLDKVRFRYPRAGQDALREVSLDVRAGEHLAIIGANGSGKTTLMLILAGRAPTSGTVDRPGTVGLGKLGGTAVVLQHPESQVLGTRVADDVVWGLPLGTTADVGRLLSEVGLEALAERDTGSLSGGELQRLALAAALAREPAMLIADEVTTMVDQQGRDALLAVLSGLTQRHRTALVHITHYDNEADSADRTLSLSDSPDNTDMVHTAAMPAPVIGVDQPQHAPALELVGVGHEYASGTPWAKTALRDINFVVEQGDGVLIHGGNGSGKSTLAWIMAGLTIPTTGACLLDGRPT--------HEQVGAVAL-------SFQAARLQLMRSRVDLEVASAAGFSASEQDRVAAALTVVGLDPALGARRIDQLSGGQMRRVVLAGLLARAPRALILDEPLAGLDAASQRGLLRLLEDLRRARGLTVVVVSHDFAGMEELCPRTLHLRDGVLESAAASEAGGMS |
2IXF Chain:B ((35-232)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LQGLTFTLYPGKVTALVGPNGSGKSTVAALLQNLYQPTGGKVLLDGEPLVQYDHHYLHTQVAAVGQEPLLFGRSFRENIAYGLTRTPTMEEITAVAMESGAHDFISGFPQ--GYDTEVGETG-NQLSGGQRQAVALARALIRKPRLLILDQATSALDAGNQLRVQRLLYESPEWASRTVLLITHQLS-LAERAHHILFLKEG-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IXF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -96873 for 1360 contacts (-71.2/contact) +
2D Compatibility (PS) -20614 + (NN) -13857 + (LL) 34616
1D Compatibility (HY) -8000 + (ID) 3250
Total energy: -107978.0 ( -79.40 by residue)
QMean score : 0.384
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