Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALIEMSGVTKKYRRSTT---ALRNLNLSIQQGEFVYLVGPSGAGKSSLIRLLYREEKLSSGRLKVGEFNLNKLKRRQIPILRRS-IGVVFQDYKLLPTKTVYENVAFAM------QVIGAKRRHIKKRVPEVLELVGLKHKMRSF-PTQLSGGEQQRVAIARAIVNNPKLLIADEPTGNLDPEIAWEIMHLLERINLQ-GTTVLMATHNSQIVNTLR--HRVIEIEAGSVIRDEEKGEYGYHD
3TIF Chain:B ((1-228))
--MVKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERR---KRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHD---INVARFGERIIYLKDGEVEREEKLRGF----
General information:
TITO was launched using:
RESULT:
Template:
3TIF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146464 for 1704 contacts (-86.0/contact) +
2D Compatibility (PS) -23269 + (NN) -5872 + (LL) 1048
1D Compatibility (HY) -18000 + (ID) 4400
Total energy: -196957.0 ( -115.59 by residue)
QMean score : 0.548
(partial model without unconserved sides chains):
PDB file :
Tito_3TIF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TIF-query.scw
PDB file :
Tito_Scwrl_3TIF.pdb
: