Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSADNHQVPIEIRGLTKHFGSVRALDGLDLTVREGEVHGFLGPNGAGKSTTLRILLGLVKADGGSVRLLGGDPWTDAVDLHRHIAYVPGDVTLWPSLTGGETIDL---LARMRGGIDNARRAELIERFGLDP--TKKARTYSKGNRQKVSLISALSSHATLLLLDEPSSGLDPLMENVFQQCIGEARQR-GVTVLLSSHILAETEALCEKVTIIRAGKTVESGS-LDALRHLSRTSIKAEMIGDPGDLSQIKGVEDISIEGTTVRAQVDSESLRELIQVLGHAGVRSLVSQPPTLEELFLRHYSLGPEVAAEQQVATP |
| 4XTC Chain:S ((5-238)) | ---------VSIQNVVKRYDKTTVVHGVSLDIEPGEFVVLVGPSGCGKSTTLRMVAGLEEISGGTIR-IDGRVINDLAPKDRDVAMVFQNYALYPHLNVRDNISFGLRLKRTKKSVIDAAVKTAADILGLQPLLERKPSDLSGGQRQRVAMGRAIVRDPKVFLFDQPLSNLDAKLRTQMRAEIKRLHQRLGTTVIYVTHDQVEAMTLADRIVVMRDGLIEQIGKPMDLFLHPANTFV-ASFIGSP------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4XTC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -97559 for 1804 contacts (-54.1/contact) +
2D Compatibility (PS) -24459 + (NN) -4224 + (LL) 5800
1D Compatibility (HY) -14800 + (ID) 3400
Total energy: -138642.0 ( -76.85 by residue)
QMean score : 0.416
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