Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGTFDPIHYGHLVAASEVADLFDLDEVVFVPSGQPWQKGRQVSAAEHRYLMTVIATASNPRFSVSRVDIDRGGPTYTKDTLADLHALHPDSELYFTTGADALASIMSWQGWEELFELARFVGVSRPGYELRNEHITSLLGQLAKDALTLVEIPALAISSTDCRQRAEQSRPLWYLMPDGVVQYVSKCRLYCGACDAGARSTTSLAAGNGL
4RPI Chain:A ((13-205))
MGGTFDPIHYGHLVAASEVADLFDLDEVVFVPSGQ----GRQVSAAEHRYLMTVIATASNPRFSVSRVDIDRGGPTYTKDTLADLHALHPDSELYFTTGADALASIMSAQGWEELFELARFVGVSRPGYELRNEHITSLLGQLAKDALTLVEIPALAISSTDCRQRAEQSRPLWYLMPDGVVQYVSKCRLYCG------------------
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) -148011 for 1504 contacts (-98.4/contact) +
2D Compatibility (PS) -20581 + (NN) -10276 + (LL) 804
1D Compatibility (HY) -26400 + (ID) 9400
Total energy: -213864.0 ( -142.20 by residue)
QMean score : 0.440
(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
: