Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTASAPDGRPGQPEATNRRSQLKSDRRFQLLAAAERLFAERGFLAVRLEDIGAAAGVSGPAIYRHFPNKESLLVELLVGVSARLLAGARDVTTRSANLAAALDGLIEFHLDFALGEADLIRIQDRDLAHLPAVAERQVRKAQRQYVEVWVGVLR------ELNPGLAEADARLMAHAVFGLLNSTPHSMKAADSKPARTVRARAVLRAMTVAALSAADRCL
3WHB Chain:A ((7-188))
-------------------------KYMQIIDAAVEVIAENGYHQSQVSKIAKQAGVADGTIYLYFKNKEDILISLFKEKMGQFIERMEEDIKEKATAKEKLALVISKHFSLLAGDHNLAIVTQLELRQSNLELRQKINEILKGYLNILDGILTEGIQSGEIKEGL---DVRLARQMIFGTIDETVTTWVMNDQKYDLVALSNSVLELLV-----------
General information:
TITO was launched using:
RESULT:
Template:
3WHB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101031 for 1260 contacts (-80.2/contact) +
2D Compatibility (PS) -19491 + (NN) -15377 + (LL) 2112
1D Compatibility (HY) -11600 + (ID) 2050
Total energy: -147437.0 ( -117.01 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_3WHB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WHB-query.scw
PDB file :
Tito_Scwrl_3WHB.pdb
: