Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTLIAARRYSATMHGSASEACGSVDHLVDRHPTVSPVRLIAQLRPPPTFAEVSFATYRPDPVEPTQAAAVVACQDFCRQAVERRAGRKKWFGKRDVLPGVGLYLDGGFGVGKTHLLASAYYQLPGTGPDAPTCPKAFATFGELTQLAGVFG---FADCIDL--LANYTALCIDEFELDD-----------PGNTTLISRLLSALV----ERGVSVAATSNTLPEQLGEGRFAAQDFLREINTLASIFTTVRIEGPDYRHRDLPPAPAPLSDEEVAARAARVEGATLDDFDALCAHLATMHPSRYLTLIEGVTAVFLTGVHGIDDQNVALRLVALVDRLYDAGIPVVASGAKLDTIFSEEMLAGGYRKKYLRATSRLLALTAGVIQAREP |
| 4CR2 Chain:K ((204-321)) | ------------------------------------------------------------------------------------------------DPPRGVLLYGPPGTGKTMLVKAVANSTK--------AAFIRVNGSEFVHKYLGEGPRMVRDVFRLARENAPSIIFIDEVDSIATKRFDAQTGSDREVQRILIELLTQMDGFDQSTNVKVIMATNRA----------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CR2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -48750 for 595 contacts (-81.9/contact) +
2D Compatibility (PS) -10549 + (NN) -4790 + (LL) 18536
1D Compatibility (HY) -1200 + (ID) 1050
Total energy: -47803.0 ( -80.34 by residue)
QMean score : 0.185
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