Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEHNKLKPFPKDFLWGSASAAYQVEGAWDEDGKGPSVWDEFVRIPGTTFKETNGDVAVDNYHRYKEDVALMAEQGLKAYRFSVAWSRVIPHGNGEVNEAGLKFYDNLIDELLSYGIEPVVTLYHWDIPQGLQDEYGGWESRKVVEDFTNYAALLFERFNGRVKYWVTLNEQNVFISHGYKLAYHPPGVS------------DDKRMFAANHNANLANASAIAKFR---ELGTSGKIGPSFAYGPSYSIDANPANVLASENSEEFNAHFWMDVYTWGEYPTATWNWLEEHGLAPEILP---GDTELLKKGKPDFMGVNYYRSMTHAFNGKDGVGSGKMNTTGEKGTSEETGVPGLYKNTNNPYLEKTNWDWD-IDPTGLRIGLRRITNRYKL-PIMITENGLGEY--------DSLTEDHKIHDEYRIEYIRAHALAIQEAITDGVEMLGYCTWSFTDLLSWLNGYQKRYGFVYVDRDENDEKELKRYKKDSFYWYKKTIEANGANLVEEQGK |
3WBA Chain:A ((18-488)) | --------FPEGFVFGTASAAYQYEGAVKEDGRGQTIWDTFAHTFGKITDFSNADVAVDQYHRFEEDIQLMADMGMDAYRFSIAWSRIYPNGVGQVNQAGIDHYNKLIDALLAKGIQPYVTLYHWDLPQALEDKYKGWLDRQIVDDFAAYAETCFREFGDRVKHWITLNQPHTVAIQGYDAGLQAPGRCSVLLHLYCKAGNSGTEPYVVAHHFILAHAAAASIYRTKYKATQNGQLGIAFDVMWFEPMSNTTIDIEAAKRAQEFQLGWFADPFFFGDYPATM------RARVGERLPRFTADEAAVVKGALDFVGINHYTTYYTRHNNTNIIGTLLNNTLADTGT---VSLP--FKN-GKPIGDRANSIWLYIVPRGMRSLMNYVKERYNSPPVYITENGMDDSNNPFISIKDALKDSKRI--KYHNDYLTNLAASIKE---DGCDVRGYFAWSLLDNWEWAAGYSSRFGLYFVDYKDN----LKRYPKNSVQWFKALLK------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WBA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -106739 for 3938 contacts (-27.1/contact) +
2D Compatibility (PS) -46736 + (NN) -18850 + (LL) 2400
1D Compatibility (HY) -32400 + (ID) 8800
Total energy: -211125.0 ( -53.61 by residue)
QMean score : 0.421
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