Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALIEMSGVTKKYRRSTTALRNLNLSIQQGEFVYLVGPSGAGKSSLIRLLYREEKLSSGRLKVGEFNLNKLKRRQIPILRRSIGVVFQDYKLLPTKTVYENVAFAMQVIGAKRRHIKKRVPEVLELVGLKHKMRSFPTQLSGGEQQRVAIARAIVNNPKLLIADEPTGNLDP----EIAWEIMHLLERINLQGTTVLMATHNSQIVNTLRHRVIEIEAGSVIRDEEKGEYGYHD
3PUW Chain:B ((2-212))
-ASVQLQNVTKAWGEVVVS-KDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMND-----TPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRL---GRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYP
General information:
TITO was launched using:
RESULT:
Template:
3PUW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145767 for 1633 contacts (-89.3/contact) +
2D Compatibility (PS) -22313 + (NN) -8330 + (LL) 1160
1D Compatibility (HY) -18800 + (ID) 4150
Total energy: -198200.0 ( -121.37 by residue)
QMean score : 0.534
(partial model without unconserved sides chains):
PDB file :
Tito_3PUW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUW-query.scw
PDB file :
Tito_Scwrl_3PUW.pdb
: