Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDKSVLSCRNLSKSYDEGPQSVQVLSGVELNLLPGERVAIVGSSGSGKSTLLNMLGGLDTPSAGSVWLAGEELSALNETARGLLRNRALGFVYQFHHLLPEFTALENVCMPLLI---GRTPIAEARQRAAELLERVGLGHRLS-HKPAELSGGERQRVAIARALVNRPQLVLLDEPTGNLDQHTAQGIQELMLELSRSLQTSFLVVTHDLQLAGHMDRILRLEEGRLIAA
3TIF Chain:B ((1-223))
-----MVKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVARFGERIIYLKDGEV---
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) -145527 for 1792 contacts (-81.2/contact) +
2D Compatibility (PS) -24543 + (NN) -17000 + (LL) 580
1D Compatibility (HY) -19600 + (ID) 4550
Total energy: -210640.0 ( -117.54 by residue)
QMean score : 0.553
(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
: