Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKRLWVGVVSIFPEMFRAISDYGITSRAVKQGLLTLTCWNPRDYTEDRHQTVDDRPFGGGPGMVMKIKPLEGALADARQAAGGRKAKVIYLSPQGRQLTQAGVRELAEEEALILIAGRYEGIDERFIEEHVDEEWSIGDYVLSGGELPAMVLVDAVTRLLPGALGHADSAEEDSFTDGLLDCPHYTRPEVYADKRVPEVLLSGNHEHIRRWRLQQALGRTWERRADLLDSRSLSGEEQKLLAEYIRQRDDS
4YVH Chain:A ((21-259))
----MWIGVISLFPEMFKAITEFGVTGRAVKHNLLKVECWNPRDFTFDKHKTVDDRPYGGGPGMLMMVQPLRDAI-HTAKAAAGEGAKVIYLSPQGRKLDQGGVTELAQNQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFIPGVL--------DSFADGLLDCPHYTRPEVLEGLTVPPVLMSGHHEEIRKWRLKQSLQRTWLRRPELLEGLALTDEQRKLLKE--------
General information:
TITO was launched using:
RESULT:
Template:
4YVH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134788 for 1692 contacts (-79.7/contact) +
2D Compatibility (PS) -25058 + (NN) -7570 + (LL) 1140
1D Compatibility (HY) -30400 + (ID) 7450
Total energy: -204126.0 ( -120.64 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_4YVH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YVH-query.scw
PDB file :
Tito_Scwrl_4YVH.pdb
: