Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVMNTYAKSGVDLKLYNKLMKEVKLVVDENKREEVISEVGSFSALFDFAALSKKYDHPVLVSSTDGVGTKLLIAQ-------EVDKHDTIGIDLVAMCVNDLLAQGATPLFFLDYFATGALNK-----DVLLSVVQGITEGCKQAK-----ITLVGGETAEMPGMYGNNHYDLAGFVVGVVDKSKILPNYGVMRAGDYIVGLES-----------SGIHSNGFSLVRH-IFEDLGIS-------------------YNDLSPWDNQLW--GEVLLKPTKIYVDSLLPIMSQVKG----IAHITGGG------LIDNVPRILPKNLFADVDISSLEWPDIFLWLTKEGKVEKREMLRTFNCGIGMILIIDPENMQGVKNHFQKLGEKIEIIGKLNEKYNPSFNGVVS |
3KIZ Chain:A ((53-372)) | ------------------------------------------------------------IMHADGAGTKSSLAYVYWKETGDISVWKGIAQDAVIMNIDDLICVGAVDNILLS--STIGRNKNLIPGEVLAAIINGTEEVLQMLRDNGIGIYSTGGETADVGDLVRTIIVDST--VTCRMKRQDVISNENI-KAGNVIVGFASYGQTSYETEYNGGMGSNGLTSARHDVFNNVLASKYPESFDPKVPENLVYSGEMNLTDPYLNVPLDAGKLVLSPTRTYAPLMKEIIHQYKGKLDGVVHCSGGGQTKVLHFTDATTHIIKDNLF--------DVPPLFQLIQGQSNTPWEEMYKVFNMGHRLEIYTDAAHAEGMIAIAKKFNIEAKIIGRVEAPVAGKRLTITG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KIZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185380 for 2101 contacts (-88.2/contact) +
2D Compatibility (PS) -27357 + (NN) -4742 + (LL) 5804
1D Compatibility (HY) -14800 + (ID) 3950
Total energy: -230425.0 ( -109.67 by residue)
QMean score : 0.459
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