Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEPLLSLKSVSKSYDDLNILDDIDIDIESGYFYTLLGPSGCGKTTILKLIAGFEYPDSGEVIYQNKPIGNLPPNKRKVNTVFQDYALFPHLNVYDNIAFGLKLKKLSKTEIDQKVTEALKLVKLSGYEKRNINEMSGGQKQRVAIARAIVNEPEILLLDESLSALDLKLRTEMQYELRELQSRLGITFIFVTHDQEEALALSDFLFVLKDGKIQQFGTPTDIYDEPVNRFVADFIGES--NIVEGRMVRDYVVNIYGQDFECVD-----MGIPENKKVEVVIRPEDISLIKAEEGLFKATVDSMLFRGVHYEICCIDNKGYEWVI--QTTKKAEVGSEVGLYFDPEAIHIMVPGETEEEFDKRIESYEEVDNA |
2IT1 Chain:A ((1-355)) | -MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYVEIVKETGITEVIIGFRPHDAEIVKGEGEGIVGEVYSFEPLGREQIVTVSVNDS-IVKVFAPEGEHFSFGEKVTIKVKEELLVLFDKKTEK---------------- |
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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) -196439 for 2775 contacts (-70.8/contact) +
2D Compatibility (PS) -38367 + (NN) -20685 + (LL) 1488
1D Compatibility (HY) -27200 + (ID) 6450
Total energy: -287653.0 ( -103.66 by residue)
QMean score : 0.539
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