Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDLAKRMLLIKPSPTIAVTDKANRLKDEGKKICILAAGEPDFDTPDHIKKVAIQAIDEGKTKYTAVDGTRELKEAIISKLKRDNNLEY-ALSQVCVGAGAKQVLFNLFMATVNPGDEAIIPAPYWVSYVDMVSLFGGLPVVIECGQ--GLKLTPELLKNKVTKKTKWLILNSPNNPAGVVYTYGELEGIAQVLLEYPHVNIITDDIYEHIIYDE-KFFTIAQVEPKLYNRVFVVNGVSKAYAMTGWRIGYIAGRSDVVKAISTLQSQSTSNPNSIAQAAAVEALNGDHSF--LKERMGIFKSRRDFVIEKLNSAPGLLASIPQGAFYLFVSCKDLLGKSTKSGKVINNDLDFAEYLLEDHLVAVIPGIAFGL--KNFIRISYATSQEQLEIGCNSIIKACKMLS |
1DJU Chain:B ((2-383)) | ---LSDRLELVS---------------D----VISLGIGEPDFDTPQHIKEYAKEALDKGLTHYGPNIGLLELREAIAEKLKKQNGIEADPKTEIMVLLGANQAFLMGLSAFLKDGEEVLIPTPAFVSYAPAVILAGGKPVEVPTYEEDEFRLNVDELKKYVTDKTRALIINSPCNPTGAVLTKKDLEEIADFVVEHDLI-VISDEVYEHFIYDDARHYSIASLD-GMFERTITVNGFSKTFAMTGWRLGFVAAPSWIIERMVKFQMYNATCPVTFIQYAAAKALKDERSWKAVEEMRKEYDRRRKLVWKRLNEM-GLPTVKPKGAFYIFPRIRD-TGLTSKK---------FSELMLKEARVAVVPGSAFGKAGEGYVRISYATAYEKLEEAMERMERVLKERK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1DJU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -282018 for 3185 contacts (-88.5/contact) +
2D Compatibility (PS) -39596 + (NN) -22157 + (LL) 860
1D Compatibility (HY) -26400 + (ID) 7250
Total energy: -376561.0 ( -118.23 by residue)
QMean score : 0.564
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