Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLKSFGVFGNPIKHSKSPLIHNACFLTFQKELGFLGHYHPILLPLESRIKNEFLHLGLSGANVTLPFKERAFQICDKIKGIALECASVNTL-VLENDELVGYNTDALGFYLS-LKHQNYQNDQNALILGAGGSAKA-LACGLQKQGLKVSVLNRS-------ARGLDFFQRLGCDCFMEPPKSAFDLIINATSASLHNELPLNKEVLKGYFKESKLAYDLAYG-FLTPFLSLAKELKIPFQ-DGKDMLIYQASLSFEKFSDSQIPYSKAFEVMRSVF |
3PGJ Chain:A ((29-277)) | --IDQYAVFGNPINHSKSPFIHTLFARQTQQSMIYTAQCVPVDGFTEA--AKHFFAQGGRGCNVTVPFKEEAYRFADRLTERARLAGAVNTLKKLDDGEILGDNTDGEGLVQDLLAQQVLLKGATILLIGAGGAARGVLKPLLDQQPASITVTNRTFAKAEQLAELVAAYGEVKAQAF-EQLKQSYDVIINSTSASLDGELPAIDPVI---FSSRSVCYDMMYGKGYTVFNQWARQHGCAQAIDGLGMLVGQAAESFMLWRGLRPGTKQILRELRKNL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PGJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -105018 for 1968 contacts (-53.4/contact) +
2D Compatibility (PS) -24685 + (NN) -5219 + (LL) 768
1D Compatibility (HY) -12400 + (ID) 4350
Total energy: -150904.0 ( -76.68 by residue)
QMean score : 0.282
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