Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKRAIYPGTFDPITNGHIDIVTRATQMFDHVILAIAASPSKKPMFTLEERVALAQQATAHLGNVEVVGFSDLMANFARNQHATVLIRGLRAVADFEYEMQLAHMNRHLMPELESVFLMPSKEWSFISSSLVKEVARHQGDVTHFLPENVHQALMAKLA
3PNB Chain:A ((21-176))
-MTGAVCPGSFDPVTLGHVDIFERAAAQFDEVVVAILVNPAKTGMFDLDERIAMVKESTTHLPNLRVQVGHGLVVDFVRSCGMTAIVKGLRTGTDFEYELQMAQMNKHIA-GVDTFFVATAPRYSFVSSSLAKEVAMLGGDVSELLPEPVNRRLRDRL-
General information:
TITO was launched using:
RESULT:
Template:
3PNB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110839 for 1219 contacts (-90.9/contact) +
2D Compatibility (PS) -16954 + (NN) -8698 + (LL) 212
1D Compatibility (HY) -15200 + (ID) 3400
Total energy: -154879.0 ( -127.05 by residue)
QMean score : 0.695
(partial model without unconserved sides chains):
PDB file :
Tito_3PNB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PNB-query.scw
PDB file :
Tito_Scwrl_3PNB.pdb
: