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:D ((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) -99497 for 1960 contacts (-50.8/contact) +
2D Compatibility (PS) -24640 + (NN) -6335 + (LL) 768
1D Compatibility (HY) -12400 + (ID) 4350
Total energy: -146454.0 ( -74.72 by residue)
QMean score : 0.331
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