Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTASAPDGRPGQPEATNRRSQLKSDRRFQLLAAAERLFAERGFLAVRLEDIGAAAGVSGPAIYRHFPNKESLLVELLVGVSARLLAGARDVTTRSANLAAALDGLIEFHLDFALGEADLIRIQDRDLAHLPAVAERQVRKAQRQYVEVWVGVLR------ELNPGLAEADARLMAHAVFGLLNSTPHSMKAADSKPARTVRARAVLRAMTVAALSAADRCL
3WHC Chain:A ((7-188))
-------------------------KYMQIIDAAVEVIAENGYHQSQVSKIAKQAGVADGTIYLYFKNKEDILISLFKEKMGQFIERMEEDIKEKATAKEKLALVISKHFSLLAGDHNLAIVTQLELRQSNLELRQKINEILKGYLNILDGILTEGIQSGEIKEGL---DVRLARQMIFGTIDETVTTWVMNDQKYDLVALSNSVLELLV-----------
General information:
TITO was launched using:
RESULT:
Template:
3WHC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102195 for 1269 contacts (-80.5/contact) +
2D Compatibility (PS) -19615 + (NN) -15265 + (LL) 2112
1D Compatibility (HY) -11600 + (ID) 2050
Total energy: -148613.0 ( -117.11 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_3WHC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WHC-query.scw
PDB file :
Tito_Scwrl_3WHC.pdb
: