Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKRLLIAACTLLFAGSLLAATPAAKPHVLIATSLGEIEVELDPAKAPISVKNFLEYVDSGYYDGTLFHRVIPGFMVQTGGFSAGMQEKKTRAPIKNEADNGLLNERGTLAMARTGVVDSATSQFFINLTDNDFLNHGARDFGYAVFGKVVRGMGVVDQIAKVPTTRRNGFADVPSDDVVILSAKRL
1VAI Chain:A ((5-165))
--------------------------PHVLLTTSAGNIELELDKQKAPVSVQNFVDYVNSGFYNNTTFHRVIPGFMIQGGGFTEQMQQKKPNPPIKNEADNGLRNTRGTIAMARTADKDSATSQFFINVADNAFLDHGQRDFGYAVFGKVVKGMDVADKISQVPTHDVGPYQNVPSKPVVILSATVL
General information:
TITO was launched using:
RESULT:
Template:
1VAI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76000 for 1322 contacts (-57.5/contact) +
2D Compatibility (PS) -17225 + (NN) -4545 + (LL) 2832
1D Compatibility (HY) -17200 + (ID) 5350
Total energy: -117488.0 ( -88.87 by residue)
QMean score : 0.591
(partial model without unconserved sides chains):
PDB file :
Tito_1VAI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VAI-query.scw
PDB file :
Tito_Scwrl_1VAI.pdb
: