Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGTFDPIHYGHLVAASEVADLFDLDEVVFVPSGQPWQKGRQVSAAEHRYLMTVIATASNPRFSVSRVDIDRGGPTYTKDTLADLHALHPDSELYFTTGADALASIMSWQGWEELFELARFVGVSRPGYELRNEHITSLLGQLAKDALTLVEIPALAISSTDCRQRAEQSRPLWYLMPDGVVQYVSKCRLYCGACDAGARSTTSLAAGNGL
4RPI Chain:B ((13-204))
MGGTFDPIHYGHLVAASEVADLFDLDEVVFVPSGQP---GRQVSAAEHRYLMTVIATASNPRFSVSRVDIDRGGPTYTKDTLADLHALHPDSELYFTTGADALASIMSAQGWEELFELARFVGVSRPGYELRNEHITSLLGQLAKDALTLVEIPALAISSTDCRQRAEQSRPLWYLMPDGVVQYVSKCRLYC-------------------
General information:
TITO was launched using:
RESULT:
Template:
4RPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144390 for 1488 contacts (-97.0/contact) +
2D Compatibility (PS) -20967 + (NN) -13653 + (LL) 772
1D Compatibility (HY) -26400 + (ID) 9400
Total energy: -214038.0 ( -143.84 by residue)
QMean score : 0.504
(partial model without unconserved sides chains):
PDB file :
Tito_4RPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4RPI-query.scw
PDB file :
Tito_Scwrl_4RPI.pdb
: