Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRHTRFHPIKLAWITAVVAGLMVGVATPADAEPGQWDPTLPALVSAGAPGDPLAVANASLQATAQATQTTLDLGRQFLGGLGINLGGPAASAPSAATTGASRIPRANARQAVEYVIRRAGSQMGVPYSWGGGSLQGPSKGVDSGANTVGFDCSGLVRYAFAGVGVLIPRFSGDQYNAGRHVPPAEAKRGDLIFYGPGGGQHVTLYLGNGQMLEASGSAGKVTVSPVRKAGMTPFVTRIIEY
4JXB Chain:B ((4-132))
-----------------------------------------------------------------------------------------------------------YQQITDVVIARGLSQRGVPFSWAGGGISGPTRGTGTGINTVGFDASGLIQYAYAGAGLKLPRSSGQMYKVGQKVLPQQARKGDLIFYGPEGTQSVALYLGKGQMLEV---GDVVQVSPVRTNGMTPYLVRVL--
General information:
TITO was launched using:
RESULT:
Template:
4JXB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82360 for 1037 contacts (-79.4/contact) +
2D Compatibility (PS) -14096 + (NN) -9270 + (LL) 5760
1D Compatibility (HY) -11200 + (ID) 3550
Total energy: -114716.0 ( -110.62 by residue)
QMean score : 0.635
(partial model without unconserved sides chains):
PDB file :
Tito_4JXB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JXB-query.scw
PDB file :
Tito_Scwrl_4JXB.pdb
: