Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDVNNVELIISAVRPEQYPETDLPEYALAGRSNVGKSSFINTMIRRKSMARISQKPGKTQTLNFYKIEEALFFVDVPGYGFAKVSKTEREKWGVMIETYITSREQLRGVIQIVDLRHKPTEDDRMMYEFLKYYDIPVIVIATKADKIPRSKWQKNAKIVRETLDFDPDDKFVLFSSETKMGKDEAWQFIKEGME
3PQC Chain:A ((2-192))
-IIRDVELVKVARTPGDYPPPLKGEVAFVGRSNVGKSSLLNALFNRK-IAFVSKTPGKTRSINFYLVNSKYYFVDLPGYGYAKVSKKERMLWKRLVEDYFKNRWSLQMVFLLVDGRIPPQDSDLMMVEWMKSLNIPFTIVLTKMDKVKMSERAKKLEEHRKVFSKYGEYTIIPTSSVTGEGISELLDLISTLL-
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) -101598 for 1468 contacts (-69.2/contact) +
2D Compatibility (PS) -20294 + (NN) -5002 + (LL) 284
1D Compatibility (HY) -16000 + (ID) 3700
Total energy: -146310.0 ( -99.67 by residue)
QMean score : 0.573
(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
: