Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTASAPDGRPGQPEATNRRSQLKSDRRFQLLAAAERLFAERGFLAVRLEDIGAAAGVSGPAIYRHFPNKESLLVELLVGVSARLLAGARDVTTRSANLAAALDGLIEFHLDFALGEADLIRIQDRDLAHLPAVAERQVRKAQRQYVEVWVGVLRELNPGLAEADARLMAHAVFGLLNSTPHSMKAADSKPARTVRARAVLRAMTVAALSAADRCL
3PAS Chain:A ((3-105))
-------------------RQRDDSKRIAFLEATVREVADHGFSATSVGKIAKAAGLSPATLYIYYEDKEQLLLATFYYVSDQVIDAALDSFSRGKDLREGLRRQWHTLFRIGLERPELFRY---------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3PAS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -49122 for 670 contacts (-73.3/contact) +
2D Compatibility (PS) -11410 + (NN) -6265 + (LL) 8720
1D Compatibility (HY) -8000 + (ID) 1450
Total energy: -67527.0 ( -100.79 by residue)
QMean score : 0.614
(partial model without unconserved sides chains):
PDB file :
Tito_3PAS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PAS-query.scw
PDB file :
Tito_Scwrl_3PAS.pdb
: