Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MILRLHEVARSHGAGRQRYRLRVPALELRAGRQLAIVGPSGCGKSTLLDLLALALAPDPGGRFEFLAGERPQDIAALWRDGRQDRLAALRRQHCGYVLQSGGLLEFLDVRRNIGLPCALLGAPSAERVQALAERL--EIG--DQLDKKPAALSVGQRQRVAIARALAHAPRLLLADEPTAALDPLNAERVMRLLVEQARERGACTVVATHDERLARAAGLEVLAIRWQREADDSVGACLEEVG
4YMU Chain:A ((21-217))
------------------------TLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVF----------IDGVKINNGKVNINKVR-QKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANE-GMTMVVVTHEMGFAREVGDRVIFM------DD--GVIVEEGT
General information:
TITO was launched using:
RESULT:
Template:
4YMU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96348 for 1477 contacts (-65.2/contact) +
2D Compatibility (PS) -21667 + (NN) -15458 + (LL) 3684
1D Compatibility (HY) -13600 + (ID) 3750
Total energy: -147139.0 ( -99.62 by residue)
QMean score : 0.448
(partial model without unconserved sides chains):
PDB file :
Tito_4YMU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMU-query.scw
PDB file :
Tito_Scwrl_4YMU.pdb
: