Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGAVSCRQGQHTQQGEHTRVAVPHKQGGNIRGPWARGWKSLWTGLGTIRSDLEELWELRGHHYLHQESLKPAPVLVEKPLPEWPVPQFINLFLPEFPIRPIRGQQQLKILGLVAKGSFGTVL---KVLDCTQKAVFAVKVVPKVKVLQRDTVRQCKEEVSIQRQINHPFVHSLGDSWQGKRHLFIMCSYC-STDLYSLWSAVGCFPEASIRLFAAELVLVLCYLHDLGIMHRDVKMENILLDERGHLKLTDFGLSRH-VPQGAQAYTICGTLQYMGERG |
4NW5 Chain:A ((31-200)) | ---------------------------------------------------------------------------------------------------------QFELLKVLGQGSFGKVFLVKKISGSDARQLYAMKVLKKATLKVRDRVR-TKMERDILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDLFTRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEGHIKLTDFGLSKESIDHEKKAYSFCGTVEYMAPEV |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NW5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -90688 for 1156 contacts (-78.4/contact) +
2D Compatibility (PS) -17569 + (NN) -2713 + (LL) 5996
1D Compatibility (HY) -18400 + (ID) 3400
Total energy: -126774.0 ( -109.67 by residue)
QMean score : 0.409
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