Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MESPASSQPASMPQSKGKSKRKKDLRISCMSKPPAPNPTPPRNLDSRTFITIGDRNFEVEADDLVTISELGRGAYGVVEKVRHAQSGTIMAVKRIRATVNSQEQKRLLMDLDINMRTVDCFYTVTFYGALFREGDVWICMELMDTSLDKFYRKVLDKNMTIPEDILGEIAVSIVRALEHLHSKLSVIHRDVKPSNVLINKEGHVKMCDFGISGYLVDSVAKTMDAGCKPY-MAPERINPELNQKGYNVKSDVWSLGITMIEMAILRFPYESWGTPFQQLKQVVEEPSPQLPADRFSPEFVDFTAQCLRKNPAERMSYLELMEHPFFTLHKTKKTDIAAFVKEILGEDS |
4AOT Chain:A ((24-280)) | ------------------------------------------------------------------VGELGDGAFGKVYKAKNKETGALAAAKVIE-TKSEEELEDYIVEIEI-LATCDHPYIVKLLGAYYHDGKLWIMIEFCPGGAVDAIMLELDRGLTEPQ--IQVVCRQMLEALNFLHSK-RIIHRDLKAGNVLMTLEGDIRLADFGVSA-------------GTPYWMAPEVVM-------YDYKADIWSLGITLIEMAQIEPPHHELNPMRVLLKIAKSDPPTLLTPSKWSVEFRDFLKIALDKNPETRPSAAQLLEHPFVSSITSNKALRELVAEAKAEV-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AOT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -119252 for 1823 contacts (-65.4/contact) +
2D Compatibility (PS) -25233 + (NN) -13695 + (LL) 3784
1D Compatibility (HY) -17600 + (ID) 4450
Total energy: -176446.0 ( -96.79 by residue)
QMean score : 0.479
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