Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MWIGVISLFPEMFKAITEFGVTGRAVKHNLLKVECWNPRDFTFDKHKTVDDRPYGGGPGMLMMVQPLRDAIHTAKAAAGEGAKVIYLSPQGRKLDQGGVTELAQNQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFIPGVLGKQASAEEDSFADGLLDCPHYTRPEVLEGLTVPPVLMSGHHEEIRKWRLKQSLQRTWLRRPELLEGLALTDEQRKLLKEAQAEHNS
4MCB Chain:B ((1-243))
MWIGVISLFPEMFKAITEFGVTGRAVKHNLLKVECWNPRDFTFDKHKTVDDRPYGGGPGMLMMVQPLRDAIHTAKAAAGEGAKVIYLSPQGRKLDQGGVTELAQNQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFIPGVLGKQASAEEDSFADGLLDCPHYTRPEVLEGLTVPPVLMSGHHEEIRKWRLKQSLQRTWLRRPELLEGLALTDEQRKLLKEAQAE---
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) -144038 for 1769 contacts (-81.4/contact) +
2D Compatibility (PS) -26341 + (NN) -10735 + (LL) -64
1D Compatibility (HY) -33600 + (ID) 12150
Total energy: -226928.0 ( -128.28 by residue)
QMean score : 0.594
(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
: