Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLMMKNITKNYQDGEQVIEVLKNVSLEVAQGEFVAIVGPSGAGKSTFLSIAGALLSPTEGEIAIGGKVLNDLTSKDLTKVRLDKVGFIFQGANLIPYLN-VRDQLLVIAELSGDKGRVAKEKADELLKELGLTARENNYPESLSGGEKQRVAIARALMNDPDIILADEPTASLDASRGHKVVQMIADEVKRKNKAAIMVTHDERVLDLV-DRVIRIEDGYLKD
4YMS Chain:J ((2-214))
--IFVNDVYKNFGS----LEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINN-GKVNINKVR-QKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLN-VMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVI--
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) -101952 for 1690 contacts (-60.3/contact) +
2D Compatibility (PS) -23150 + (NN) -8539 + (LL) 1052
1D Compatibility (HY) -20400 + (ID) 4200
Total energy: -157189.0 ( -93.01 by residue)
QMean score : 0.521
(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
: