Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSMIEVSHLQKNFIKTVKAPGLKGAFQSFLRPEKHTFEAVKDLTFDVPKGQILGFIGANGAGKSTTIKMLTGILKPTSGFCRIDGK----LPQENRQNYVKDIGVVFGQRTQLWWDLALQETYTVLKEIYDVPDKEFRKRMAFLNEVLELNDFIKDPVRTLSLGQRMRADIAASLLHNPKVLFLDEPTIGLDVSVKDNIRRAITQINQEEETTILLTTHDLSDIEQLCHRIFMIDRGQEIFDGTVSQLKETFGKMKTLSFDLRPGQEHISSSLIGKSEINIKRNDLVLDIQYDSSRYQTADIIQQTLADFSVRDLKMTDADIEDIIRRFYRNEL |
2IT1 Chain:A ((15-304)) | -----------------------------------NFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDR-----NVGLVF-QNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYVEIVKETG--ITEVIIGFRPHDAEIVKGEGEGIVGEVYSFEP |
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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) -95830 for 2111 contacts (-45.4/contact) +
2D Compatibility (PS) -30103 + (NN) -4984 + (LL) 2984
1D Compatibility (HY) -16000 + (ID) 3650
Total energy: -147583.0 ( -69.91 by residue)
QMean score : 0.409
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