Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCCAVCGPEPGRIGEVTPLGPCPAQHRGGPLRPSELAQASVMAALCAVTAIISVVVPFAAGLALLGTVPTGLLAYRYRLRVLAAATVAAGMIAFLIAGLGGFMGVVHSAYIGGLTGIVKRRGRGTPTVVVSSLIGGFVFGAAMVGMLAAMVRLRHLIFKVMTANVDGIAATLARMHMQGAAADVKRYFAEGLQYWPWVLLGYFNIGIMIVSLIGWWALSRLLERMRGIPDVHKLDPPPGDDVDALIGPVPVRLDKVRFRYPRAGQDALREVSLDVRAGEHLAIIGANGSGKTTLMLILAGRAPTSGTVDRPGTVGLGKLGGTAVVLQHPESQVLGTRVADDVVWGLPLGTTADVGRLLSEVGLEALAERDTGSLSGGELQRLALAAALAREPAMLIADEVTTMVDQQGRDALLAVLSGLTQRHRTALVHITHYDNEADSADRTLSLSDSPDNTDMVHTAAMPAPVIGVDQPQHAPALELVGVGHEYASGTPWAKTALRDINFVVEQGDGVLIHGGNGSGKSTLAWIMAGLTIPTTGACLLDGRPT--------HEQVGAVAL------SFQAARLQLMRSRVDLEVASAAGFSASEQDRVAAALTVVGLDPALGARRIDQLSGGQMRRVVLAGLLARAPRALILDEPLAGLDAASQRGLLRLLEDLRRARGLTVVVVSHDFAGMEELCPRTLHLRDGVLESAAASEAGGMS |
2IXE Chain:D ((35-232)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LQGLTFTLYPGKVTALVGPNGSGKSTVAALLQNLYQPTGGKVLLDGEPLVQYDHHYLHTQVAAVG-PLLFGRSFRENIAYGLTRTPTMEEITAVAMESGAHDFISGFPQ--GYDTEV------QLSGGQRQAVALARALIRKPRLLILDNATSALDAGNQLRVQRLLYESPEWASRTVLLITQQLS-LAERAHHILFLKEG-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IXE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -94737 for 1310 contacts (-72.3/contact) +
2D Compatibility (PS) -19993 + (NN) -13637 + (LL) 34888
1D Compatibility (HY) -8400 + (ID) 3150
Total energy: -105029.0 ( -80.17 by residue)
QMean score : 0.423
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