Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKRLWVGVVSIFPEMFRAISDYGITSRAVKQGLLTLTCWNPRDYTEDRHQTVDDRPFGGGPGMVMKIKPLEGALADARQAAGGRKAKVIYLSPQGRQLTQAGVRELAEEEALILIAGRYEGIDERFIEEHVDEEWSIGDYVLSGGELPAMVLVDAVTRLLPGALGHADSAEEDSFTDGLLDCPHYTRPEVYADKRVPEVLLSGNHEHIRRWRLQQALGRTWERRADLLDSRSLSGEEQKLLAEYIRQRDDS---
1UAL Chain:A ((19-270))
--SHMWIGVISLFPEMFKAITEFGVTGRAVKHNLLKVECWNPRDFTFDKHKTVDDRPYGGGPGMLMMVQPLRDAIHTAKAAAG-EGAKVIYLSPQGRKLDQGGVTELAQNQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFIPGVLS---------FADGLLDCPHYTRPEVLEGLTVPPVLMSGHHEEIRKWRLKQSLQRTWLRRPELLEGLALTDEQRKLLKEAQAEHNSLEHH
General information:
TITO was launched using:
RESULT:
Template:
1UAL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138366 for 1762 contacts (-78.5/contact) +
2D Compatibility (PS) -26223 + (NN) -11617 + (LL) 292
1D Compatibility (HY) -29600 + (ID) 7400
Total energy: -212914.0 ( -120.84 by residue)
QMean score : 0.613
(partial model without unconserved sides chains):
PDB file :
Tito_1UAL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1UAL-query.scw
PDB file :
Tito_Scwrl_1UAL.pdb
: