Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTASAPDGRPGQPEATNRRSQLKSDRRFQLLAAAERLFAERGFLAVRLEDIGAAAGVSGPAIYRHFPNKESLLVELLVGVSARLLAGARDVTTRSANLAAALDGLIEFHLDFALGEADLIRIQDRDLAHLPAVAERQVRKAQRQYVEVWVGVLRELNPGLAEADARLMAHAVFGLLNSTPHSMKAADSKPARTVRARAVLRAMTVAALSAADRCL
3HE0 Chain:A ((11-74))
------------------------DKRDQILAAAEQLIAESGFQGLSMQKLANEAGVAAGTIYRYFSDKEHLLEEVRLNVAKRI-----------------------------------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3HE0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -36408 for 376 contacts (-96.8/contact) +
2D Compatibility (PS) -6712 + (NN) -4776 + (LL) 12204
1D Compatibility (HY) -5600 + (ID) 1350
Total energy: -42642.0 ( -113.41 by residue)
QMean score : 0.757
(partial model without unconserved sides chains):
PDB file :
Tito_3HE0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HE0-query.scw
PDB file :
Tito_Scwrl_3HE0.pdb
: