Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLIIAALGLTLVLSGCAPKLDSNDKVVQKDDSKAETGIMTKNQISSNYYKTVLPYKASKSRGLVVSNIYSRYDINELESGLMRVSQNKYSPDNYLFQEGQYLDKETLEKWLDRKSDKNPNGLNPASNGNGENRKPIYLAHILEQDYLKQTDKDTVALGGISIALAMNSVDYYQKEKYGDTYEQPISDSELLAQGKEMSATVLNRIRQTKGLENVPVTIAIYKQGARDAVAPGNYIAYATANGDSLSNWKDIDEKNYVLPSTESAKDHKTDNDNFLNFKKAIEDYYPNFTGVVGRGRYEDGQLAELNIDIPLQFYGEAEIIGFTQYVTDLVGQHIPKTADLQVNISTSDGPAALITRKANEDAATAHIYD |
4PG6 Chain:A ((21-122)) | MKKLNIALLGLGTVGSGVVKIIEENRQQIQDTLNK------------DIVIKHILVRDKSKKRPLNISQYHLTEDVNEI---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PG6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -9973 for 392 contacts (-25.4/contact) +
2D Compatibility (PS) -7034 + (NN) -378 + (LL) 16224
1D Compatibility (HY) -4000 + (ID) 1250
Total energy: -6411.0 ( -16.35 by residue)
QMean score : 0.102
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