Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKRLWVGVVSIFPEMFRAISDYGITSRAVKQGLLTLTCWNPRDYTEDRHQTVDDRPFGGGPGMVMKIKPLEGALADARQAAGGRKAKVIYLSPQGRQLTQAGVRELAEEEALILIAGRYEGIDERFIEEHVDEEWSIGDYVLSGGELPAMVLVDAVTRLLPGALGHADSAEEDSFTDGLLDCPHYTRPEVYADKRVPEVLLSGNHEHIRRWRLQQALGRTWERRADLLDSRSLSGEEQKLLAEYIRQRDDS
4MCB Chain:A ((1-219))
----MWIGVISLFPEMFKAITEFGVTGRAVKHNLLKVECWNPRDFTFDKHKTVDDRPYGGGPGMLMMVQPLRDAI-HTAKAAAGEGAKVIYLSPQGRKLDQGGVTELAQNQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFIPGVLG-------------LLDCPHYTRPEVLEGLTVPPVLMS-HHEEIRKWRLKQSLQRTWLR----------------------------
General information:
TITO was launched using:
RESULT:
Template:
4MCB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128937 for 1495 contacts (-86.2/contact) +
2D Compatibility (PS) -22106 + (NN) -6743 + (LL) 2428
1D Compatibility (HY) -28000 + (ID) 6750
Total energy: -190108.0 ( -127.16 by residue)
QMean score : 0.513
(partial model without unconserved sides chains):
PDB file :
Tito_4MCB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MCB-query.scw
PDB file :
Tito_Scwrl_4MCB.pdb
: