Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVEIENLTKTYGSLKALDNISLKLPKQQFIGLLGPNGAGKTTLLKILAGLNLNYQGE-----VKILNQKIGI-ETKKSVAFLSDGDFLDPKLTPLKAIAF----YKDFFSDFDESKALNLL-------KRFSVPLKREFKALSKGMREKLQLILTLSRNASLYLFDEPVAGIDPIAREEIFELIAKEFSQNASLLVSTHLVVDVEKYLDSAIFLKEAKVVAFGDVGELKKGYSSLEAAYKERLK
4YMW Chain:J ((1-223))
-MIFVNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIK-----LSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKI
General information:
TITO was launched using:
RESULT:
Template:
4YMW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105545 for 1589 contacts (-66.4/contact) +
2D Compatibility (PS) -21666 + (NN) -3592 + (LL) 752
1D Compatibility (HY) -17200 + (ID) 3050
Total energy: -150301.0 ( -94.59 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_4YMW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMW-query.scw
PDB file :
Tito_Scwrl_4YMW.pdb
: