Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEIAVFGGGAWGRALAFAFGEK-NEVKI--ISRRDLNEPLKKLNDALISKGSAPIEQV----DLERGLKAA-LYVIAISVQHLREWFQNA-------SLPKNAKVLIASKGIEVLNKAFVSEIAKDFIDPNALCFLAGPSFAAEIIQGLPCALVIHSNNQALALEF----ANKTPSFIRAYAQQDIIGGEIAGAYKNVIAIAGGVCDGLKLGNSAKASLLSRGLVEMQRFGAFFGGKTETFLGLSGAGDLFLTANSILSRNYRVGLGLAQNKPLEVVLEELGEVAEGVKTTNAIVEIARKYGIYTPIASEL-ALLLKGKSVLESMNDLIRRA |
1N1E Chain:B ((20-343)) | ----VFGSGAFGTALAMVLSKKCREVCVWHMNEEEVRLVNEKRENVLFLKGVQLASNITFTSDVEKAYNGAEIILFVIPTQFLRGFFEKSGGNLIAYAKEKQVPVLVCTKGIERSTLKFPAEIIGEFLPSPLLSVLAGPSFAIEVATGVFTCVSIASADINVARRLQRIMSTGDRSFV-CWATTDTVGCEVASAVKNVLAIGSGVANGLGMGLNARAALIMRGLLEIRDLTAALGGDGSAVFGLAGLGDLQLTCSSELSRNFTVGKKLGKGLPIEEIQRTSKAVAEGVATADPLMRLAKQLKVKMPLCHQIYEIVYKKKNPRDALADLLSCG |
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General information:
TITO was launched using:
| RESULT:
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Template: 1N1E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -204121 for 2690 contacts (-75.9/contact) +
2D Compatibility (PS) -32804 + (NN) -6486 + (LL) 760
1D Compatibility (HY) -24400 + (ID) 5300
Total energy: -272351.0 ( -101.25 by residue)
QMean score : 0.519
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