Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVSRDQAHLGPKYVGLWDFKSRTDEELSFRAGDVFHVARKEEQWWWATLLDEAGGAVAQGYVPHNYLAERETVESEPWFFGCISRSEAVRRLQAEGNATGAFLIRVSEKPSADYVLSVRDTQAVRHYKIWRRAGGRLHLNEAVSFLSLPELVNYHRAQSLSHGLRLAAPCRKHEPEPLPHWDDWERPREEFTLCRKLGSGYFGEVFEGLWKDR---VQVAIKVISRDNLLH-QQMLQSEIQAMKKLRHKHILALYAVVSVGDPVYIITELMAKGSLLELLRDSDEKVLPVSELLDIAWQVAEGMCYLESQNYIHRDLAARNILVGENTLCKVGDFGLARLIKEDVYLSHDHNIPYKWTAPEALSRGHYSTKSDVWSFGILLHEMFSRGQVPYPGMSNHEAFLRVDAGYRMPCPLECPPSVHKLMLTCWCRDPEQRPCFKALRERLSSFTSYENPT |
4I4E Chain:A ((9-275)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DYEIQRERIELGRCIGEGQFGDVHQGIYMSPNPALAVAIKTCKNCTSDSVREKFLQEALTMRQFDHPHIVKLIGVIT-ENPVWIIMELCTLGELRSFLQVR-KYSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDF-----------------LPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIGRIENGERLPMPPNCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTIL------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4I4E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168608 for 1946 contacts (-86.6/contact) +
2D Compatibility (PS) -26405 + (NN) -17668 + (LL) 13800
1D Compatibility (HY) -24400 + (ID) 4550
Total energy: -227831.0 ( -117.08 by residue)
QMean score : 0.480
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