Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIVIKDAHFLTSSNNLSQCPASLTSEMVILGRSNVGKSTFINTLLGKNLAKSSATPGKTRLANFFSTTWEDKENALTTTFNVIDLPGFGYAKVSKSLKKEWEGFLWELLSVRVSIKLFIHLIDARHLDLEIDKNAKENIQALLRPDQAYLSLFTKFDKLNKNEQHRLFLNAPKPFL-I-NTIHFNALSSKYPTLEIVRQTLLKYLLTNPL
3PQC Chain:A ((2-192))
--IIRDVELVKVARTPGDYPPPLKGEVAFVGRSNVGKSSLLNALFNRKIAFVSKTPGKTRSINFYLV---------NSKYYFVDLPGYGYAKVSKKERMLWKRLVEDYFKNRWSLQMVFLLVDGRIPPQDSDLMMV---EWMKSLNIPFTIVLTKMDKVKMSERAKKLEEHRKVFSKYGEYTIIPTSSVTGEGI----SELLDLISTLLK
General information:
TITO was launched using:
RESULT:
Template:
3PQC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92549 for 1451 contacts (-63.8/contact) +
2D Compatibility (PS) -20316 + (NN) -7216 + (LL) 1884
1D Compatibility (HY) -13200 + (ID) 2700
Total energy: -134097.0 ( -92.42 by residue)
QMean score : 0.384
(partial model without unconserved sides chains):
PDB file :
Tito_3PQC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PQC-query.scw
PDB file :
Tito_Scwrl_3PQC.pdb
: