Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METLLSFEKVYKDYPSGPSIIHALKETNFEAKKGELIAIVGPSGSGKSTLLSLAGALLTPTGGTISINGKSVGNLSSKEQTALRLEEIGFIFQAAHLVPYLHVKDQISF----IGKMAGKSAAELEKDTASLLSQLGISDRANFYPKDLSGGQKQRVAIARALINQPSVILADEPTASLDTERSREVVELIRNEVVQTSRTAIMVTHDERMLDLV-NHVYRMEDGILTQES
4YMS Chain:J ((7-217))
---------VYKNFGS----LEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINN--GKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVD---LLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMK-QLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEE-
General information:
TITO was launched using:
RESULT:
Template:
4YMS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111166 for 1604 contacts (-69.3/contact) +
2D Compatibility (PS) -22751 + (NN) -9357 + (LL) 1060
1D Compatibility (HY) -18800 + (ID) 4300
Total energy: -165314.0 ( -103.06 by residue)
QMean score : 0.440
(partial model without unconserved sides chains):
PDB file :
Tito_4YMS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMS-query.scw
PDB file :
Tito_Scwrl_4YMS.pdb
: