Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNAFTAPATGTPLVSFRQVRKHFAVDGRRLEAIQQFDLEIGEGEFIAIVGASGCGKSTLLRLLIGLDRDYDGEIRVDGRPIAG---IGGERGIVFQEHRLFPWLTVQQNVALGLVNEALGETDKAARIDEYIRLVGLHGFERAYPHQLSGGMAQRVAIARGLVASPRLLLLDEPFSALDALTRQQLQEELLAIRRRTRITTLLVTHDVEEALYLADRVVVMEPRPGRIRRVVEVGLAHPRERGGFDFLRQREALLHELTADGEYVAPPPRRVENLPFEFIAC |
2IT1 Chain:A ((3-219)) | ------------EIKLENIVKKFG----NFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIR--EGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYV |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IT1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -147524 for 1719 contacts (-85.8/contact) +
2D Compatibility (PS) -23089 + (NN) -11674 + (LL) 400
1D Compatibility (HY) -18400 + (ID) 4100
Total energy: -204387.0 ( -118.90 by residue)
QMean score : 0.497
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