Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKEKFDRSKPHVNIGTIGHVDHGKTTLTAAITTVLAKKGYADAQAYDQIDGAPEERERGITISTAHVEYQTDS----RHYAHVDCPGHADYVKNMITGAAQMDGAILVVSAADG-PMPQTREHILLSRQVGVPYIVVFMNKCDMVDDEELLELVEMEIRDLLTEYEFPGDDIPVIKGSALKALQGEADWEAKIDELMEAVDSYIPTPERD-TDKPFMMPVEDVFSITGRGT--------VATGRVERGQVKVGDEVEVIGIEEESKKVVVTGVEMFRKLLDYAEAGDNIGALLRGVAREDIQRGQVLAKPGSITPHTNFKAETYVLTKEEGGRHTPFFNNYRPQFYFRTTDVTGIVTLPEGTEMVMPGDNIELAVELIAPIAIEDGTKFSIREGGRTVGAGVVSNISK |
3PEN Chain:A ((2-244)) | -----WPKVQPEVNIGVVGHVDHGKTTLVQAITGIWTSKKLGYAETNIGVCESCKKPEAYVTEPSCKSCGSDDEPKFLRRISFIDAPGHEVLMATMLSGAALMDGAILVVAANEPFPQPQTREHFVALGIIGVKNLIIVQNKVDVVSKEEALSQYR-QIKQ-FTKGTW-AENVPIIPVSALHKIN--------IDSLIEGIEEYIKTPYRDLSQKPVMLVIRS-FDVNKPGTQFNELKGGVIGGSIIQGLFKVDQEIKVL----------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PEN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -76214 for 1718 contacts (-44.4/contact) +
2D Compatibility (PS) -24757 + (NN) -11344 + (LL) 10476
1D Compatibility (HY) -20400 + (ID) 4350
Total energy: -126589.0 ( -73.68 by residue)
QMean score : 0.351
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