Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAELKLEHIKKTYDNNNTVVKDFNLHITDKEFIVFVGPSGCGKSTTLRMVAGLESITSGDFYIDGERMNDVEPKNRDIAMVFQNYALYPHMTVFENMAFGLKLRKVNKKEIEQKVNEAAEILGLTEYLGRKPKALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVQMRTEILKLHKRLNTTTIYVTHDQTEALTMASRIVVLKDGDIMQVGTPREIYDAPNCIFVAQFIGSPAMNMLNATVEMDGLKVGTHHFKLHNKKFEKLKAAG---YLDKEIILGIRAEDIHEEPIFIQTSPETQFESEVVVSELLGSEIMVHSTFQGME--LISKLDSRTQVMTNDKITLAFDMNKCHFFDEKTGNRIV |
3PUV Chain:A ((2-357)) | -ASVQLQNVTKAW-GEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMNFLPVKVTATAIDQVQVELPMPNRQQVWLPVESRDVQVGANMSLGIRPEHLLPSDIA-----DVILEGEVQVVEQLGNETQIHIQIPSIRQNLVYRQNDVVLVEEGATFAIGLPPERCHLFRE------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PUV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -193278 for 2717 contacts (-71.1/contact) +
2D Compatibility (PS) -38137 + (NN) -7216 + (LL) 700
1D Compatibility (HY) -34400 + (ID) 8650
Total energy: -280981.0 ( -103.42 by residue)
QMean score : 0.565
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