Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQSKGKKRNPGLKIPKEAFEQPQTSSTPPRDLDSKACISIGNQNFEVKADDLEPIMELGRGAYGVVEKMRHVPSGQIMAVKRIRATVNSQEQKRLLMDLDISMRTVDCPFTVTFYGALFREGDVWICMELMDT-SLDKFYKQVIDKGQTIPEDILGKIAVSIVKALEHLHSKLSVIHRDVKPSNVLINALGQVKMCDFGISGYLVDSVAKTIDAGCKPYMAPERINPELNQKGYSVKSDIWSLGITMIELAILRFPYDSWGTPFQQLKQVVEEPSPQLPADKFSAEFVDFTSQCLKKNSKERPTYPELMQHPFFTLHESKGTDVASFVKLILGD |
4AN9 Chain:A ((5-281)) | ----------------------------------------------ELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQV-LHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLD----QVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDEMANE--VGTRSYMSPER----LQGTHYSVQSDIWSMGLSLVEMAVGRYPRPPMAI-FELLDYIVNEPPPKLPSAVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AN9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179126 for 2219 contacts (-80.7/contact) +
2D Compatibility (PS) -29134 + (NN) -11543 + (LL) 1704
1D Compatibility (HY) -28000 + (ID) 6050
Total energy: -252149.0 ( -113.63 by residue)
QMean score : 0.454
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