Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCCAVCGPEPGRIGEVTPLGPCPAQHRGGPLRPSELAQASVMAALCAVTAIISVVVPFAAGLALLGTVPTGLLAYRYRLRVLAAATVAAGMIAFLIAGLGGFMGVVHSAYIGGLTGIVKRRGRGTPTVVVSSLIGGFVFGAAMVGMLAAMVRLRHLIFKVMTANVDGIAATLARMHMQGAAADVKRYFAEGLQYWPWVLLGYFNIGIMIVSLIGWWALSRLLERMRGIPDVHKLDPPPGDDVDALIGPVPVRLDKVRFRYPRAGQDALREVSLDVRAGEHLAIIGANGSGKTTLMLILAGRAPTSGTVDRPGTVGLGKLGGTAVVLQHPESQVLGTRVADDVVWGLPLGTTADVGRLLSEVGLEALAERDTGSLSGGELQRLALAAALAREPAMLIADEVTTMVDQQGRDALLAVLSGLTQRHRTALVHITHYDNEADSADRTLSLSDSPDNTDMVHTAAMPAPVIGVDQPQHAPALELVGVGHEYASGTPWAKTALRDINFVVEQGDGVLIHGGNGSGKSTLAWIMAGLTIPTTGACLLDGRPT----------HEQVGAVALSFQAARLQLMRSRVDLEVASAAGFSASEQD----RVAAALTVVGLDPALGARRIDQLSGGQMRRVVLAGLLARAPRALILDEPLAGLDAASQRGLLRLLEDLRRARGLTVVVVSHDFAGMEELCPRTLHLRDGVLESAAASEAGGMS |
3GFO Chain:A ((8-220)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKVEELNYNYSDGT----HALKGINMNIKRGEVTAILGGNGVGKSTLFQNFNGILKPSSGRILFDNKPIDYSRKGIMKLRESIGIV---FQDPDNQLFSASVYQDVSFGAVNMKLPEDEIRKRVDNALKRTGIE-HLKDKPTHCLSFGQKKRVAIAGVLVMEPKVLILDEPTAGLDPMGVSEIMKLLVEMQKELGITIIIATHDIDIVPLYCDNVFVMKEG-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GFO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -149973 for 1558 contacts (-96.3/contact) +
2D Compatibility (PS) -21738 + (NN) -12596 + (LL) 33424
1D Compatibility (HY) -13200 + (ID) 3500
Total energy: -167583.0 ( -107.56 by residue)
QMean score : 0.502
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