Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDKSVLSCRNLSKSYDEGPQSVQVLSGVELNLLPGERVAIVGSSGSGKSTLLNMLGGLDTPSAGSVWLAGEELSALNETARGLLRNRALGFVYQFHHLLPEFTALENVCM-PLLIGRTPIAEARQRAAELLERVGLGHRLSHKPAELSGGERQRVAIARALVNRPQLVLLDEPTGNLDQHTAQGIQELMLELSRSLQTSFLVVTHDLQLAGHM-DRILRLEEGRLIAA
4U00 Chain:A ((3-217))
----PIIRIRNLHKWF--GP--LHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDG--LSVKDDRALREIR-REVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMT-MVVVTHEMGFAREVADRVVFMDGGQIV--
General information:
TITO was launched using:
RESULT:
Template:
4U00.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140235 for 1741 contacts (-80.5/contact) +
2D Compatibility (PS) -24167 + (NN) -17924 + (LL) 624
1D Compatibility (HY) -20800 + (ID) 4400
Total energy: -206902.0 ( -118.84 by residue)
QMean score : 0.504
(partial model without unconserved sides chains):
PDB file :
Tito_4U00.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U00-query.scw
PDB file :
Tito_Scwrl_4U00.pdb
: