Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSADNHQVPIEIRGLTKHFGSVRALDGLDLTVREGEVHGFLGPNGAGKSTTLRILLGLVKADGGSVRLLGGDPWTDAVDLHRHIAYVPGDVTLWPSLTGGETIDLLARMRGG----IDNARRAELIERFGLDP--TKKARTYSKGNRQKVSLISALSSHATLLLLDEPSSGLDPLME-NVFQQCIGEARQRGVTVLLSSHILAETEALCEKVTIIRAGKTVESGSLDALRHLSRTSIKAEMIGDPGDLSQIKGVEDISIEGTTVRAQVDSESLRELIQVLGHAGVRSLVSQPPTLEELFLRHYSLGPEVAAEQQVATP |
| 2IT1 Chain:A ((2-237)) | -------VEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKD-VTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVR-EVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNP------------------------------------------------------------------------- |
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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) -104070 for 1860 contacts (-56.0/contact) +
2D Compatibility (PS) -25157 + (NN) -7744 + (LL) 5512
1D Compatibility (HY) -17200 + (ID) 3300
Total energy: -151959.0 ( -81.70 by residue)
QMean score : 0.436
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