Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKRLWVGVVSIFPEMFRAISDYGITSRAVKQGLLTLTCWNPRDYTEDRHQTVDDRPFGGGPGMVMKIKPLEGALADARQAAGGRKAKVIYLSPQGRQLTQAGVRELAEEEALILIAGRYEGIDERFIEEHVDEEWSIGDYVLSGGELPAMVLVDAVTRLLPGALGHADSAEEDSFTDGLLDCPHYTRPEVYADKRVPEVLLSGNHEHIRRWRLQQALGRTWERRADLLDSRSLSGEEQKLLAEYIRQRDDS
4MCC Chain:A ((1-219))
----MWIGVISLFPEMFKAITEFGVTGRAVKHNLLKVECWNPRDFTFDKHKTVDDRPYGGGPGMLMMVQPLRDAI-HTAKAAAGEGAKVIYLSPQGRKLDQGGVTELAQNQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFIPGVLG-------------LLDCPHYTRPEVLEGLTVPPVLMSGHHEEIRKWRLKQSLQRTWLR----------------------------
General information:
TITO was launched using:
RESULT:
Template:
4MCC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128152 for 1481 contacts (-86.5/contact) +
2D Compatibility (PS) -22239 + (NN) -6978 + (LL) 2600
1D Compatibility (HY) -28000 + (ID) 6800
Total energy: -189569.0 ( -128.00 by residue)
QMean score : 0.534
(partial model without unconserved sides chains):
PDB file :
Tito_4MCC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MCC-query.scw
PDB file :
Tito_Scwrl_4MCC.pdb
: