Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALIEMSGVTKKYRRSTTALRNLNLSIQQGEFVYLVGPSGAGKSSLIRLLYREEKLSSGRLKV-------GEFNLNKLKRRQIPILRRSIGVVFQDYKLLPTKTVYENVAFA-MQVIGAKRRHIKKRVPEVLELVGLKHKMRSFPTQLSGGEQQRVAIARAIVNNPKLLIADEPTGNLDPEIAWEIMHLLERINLQGTTVLMATHNSQIVNTLRHRVIEIEAGSVIRDEEKGEYGYHD
4YMU Chain:J ((13-225))
---------------SLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKV--------RQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRA
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) -115549 for 1602 contacts (-72.1/contact) +
2D Compatibility (PS) -22266 + (NN) -8604 + (LL) 2336
1D Compatibility (HY) -19600 + (ID) 3500
Total energy: -167183.0 ( -104.36 by residue)
QMean score : 0.582
(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
: