Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGAVSCRQGQHTQQGEHTRVAVPHKQGGNIRGPWARGWKSLWTGLGTIRSDLEELWELRGHHYLHQESLKPAPVLVEKPLPEWPVPQFINLFLPEFPIRPIRGQQQLKILGLVAKGSFGTVL---KVLDCTQKAVFAVKVVPKVKVLQRDTVRQCKEEVSIQRQINHPFVHSLGDSWQGKRHLFIMCSYC-STDLYSLWSAVGCFPEASIRLFAAELVLVLCYLHDLGIMHRDVKMENILLDERGHLKLTDFGLSRH-VPQGAQAYTICGTLQYMGERG |
| 4NUS Chain:A ((31-200)) | ---------------------------------------------------------------------------------------------------------QFELLKVLGQGSFGKVFLVKKISGSDARQLYAMKVLKKATLKVRDRVR-TKMERDILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDLFTRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEGHIKLTDFGLSKESIDHEKKAYSFCGTVEYMAPEV |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NUS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -92368 for 1119 contacts (-82.5/contact) +
2D Compatibility (PS) -17508 + (NN) -3031 + (LL) 5996
1D Compatibility (HY) -18400 + (ID) 3400
Total energy: -128711.0 ( -115.02 by residue)
QMean score : 0.344
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