Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASVSFEQATRRYPGTDRPALDRLDLIVGDGEFVVLVGPSGCGKTTSLRMVAGLETLDCGRIRIGERDVTEVDPKDRDVAMVFQNYALYPHMTVAQNMGFALKVAKIGKAEIRERVLAAAKLLDLQSYLDRKPKDLSGGQRQRVAMGRAIVRRPQVFLMDEPLSNLDAKLRGQTRNQIAALQRQLGTTTVYVTHDQVEAMTMGDRVAVLSDGVLQQCASPRELYRNPGNVFVAGFIGSPAMNLFRLSIADSTVS-LGDWQILLPRA----VV-GTAAEVIIGVRPEHLELGGA---GIEMDVDMVEELGADAYLYGRIVSGGCEMDQSIVARVDGRGPPERGSRVRLCPTPGHLHFFA-VDGRRIPG |
2IT1 Chain:A ((1-357)) | MVEIKLENIVKKFGN--FTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYVEIVKETGITEVIIGFRPHDAEIVKGEGEGIVGEVYSFEPLGREQIVTVSVNDS------IVKVFAPEGEHFSFGEKVTIKVKEELLVLFDKKTEKAL-- |
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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) -237942 for 2818 contacts (-84.4/contact) +
2D Compatibility (PS) -38205 + (NN) -21826 + (LL) -96
1D Compatibility (HY) -28800 + (ID) 6950
Total energy: -333819.0 ( -118.46 by residue)
QMean score : 0.476
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