Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRHTRFHPIKLAWITAVVAGLMVGVATPADAEPGQWDPTLPALVSAGAPGDPLAVANASLQATAQATQTTLDLGRQFLGGLGINLGGPAASAPSAATTGASRIPRANARQAVEYVIRRAGSQMGVPYSWGGGSLQGPSKGVDSGANTVGFDCSGLVRYAFAGVGVLIPRFSGDQYNAGRHVPPAEAKRGDLIFYGPGGGQHVTLYLGNGQMLEASGSAGKVTVSPVRKAGMTPFVTRIIEY
4LJ1 Chain:A ((41-177))
-------------------------------------------------------------------------------------------------------------QITDVVIARGLSQRGVPFSWAGGGISGPTRGTGTGINTVGFDASGLIQYAYAGAGLKLPRSSGQMYKVGQKVLPQQARKGDLIFYGPEGTQSVALYLGKGQMLEV---GDVVQVSPVRTNGMTPYLVRVLG-
General information:
TITO was launched using:
RESULT:
Template:
4LJ1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82094 for 1013 contacts (-81.0/contact) +
2D Compatibility (PS) -13908 + (NN) -9839 + (LL) 5900
1D Compatibility (HY) -11200 + (ID) 3550
Total energy: -114691.0 ( -113.22 by residue)
QMean score : 0.626
(partial model without unconserved sides chains):
PDB file :
Tito_4LJ1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LJ1-query.scw
PDB file :
Tito_Scwrl_4LJ1.pdb
: