Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALVVKDIVKNFGEGLSETKVLKGINFEVEQGEFVILNGASGSGKTTLLTILGGLLSQTSGTVLYNDAPLFDKQHRPSDLRLEDIGFIFQSSHLVPYLKVIEQLTLVGQEAG-MTKQQSSTRAIQLLKNIGLEDRLNVYPHQLSGGEKQRVAIMRAFMNNPKIILADEPTASLDADRATKVVEMIRQQIKEQQMIGIMITHDRRLF-EYADRVIELEDGKITD
4YMT Chain:J ((2-216))
--IFVNDVYKNFGS----LEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVR-QKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMK-QLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVE
General information:
TITO was launched using:
RESULT:
Template:
4YMT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132710 for 1736 contacts (-76.4/contact) +
2D Compatibility (PS) -23437 + (NN) -11583 + (LL) 728
1D Compatibility (HY) -21600 + (ID) 4000
Total energy: -192602.0 ( -110.95 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_4YMT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMT-query.scw
PDB file :
Tito_Scwrl_4YMT.pdb
: