Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDIQLEDIKGEPVGYESTGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYIRHLSKLKYDMAMKKAEKFKRHYER
1WS1 Chain:A ((1-148))
MAVLEIIKHPNEVLETPCERVINFDKKLVKLLKDMHETMLIADGVGLAAPQVGVSLQVAVVDVD-----------DDTGKIELINPSILEKRGEQV-GPEGCLSFPGLYGEVERADYIKVRAQNRRGKVFLLEAEGFLARAIQHEIDHLHGVLFTSKVTRYYE----------------
General information:
TITO was launched using:
RESULT:
Template:
1WS1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85973 for 1149 contacts (-74.8/contact) +
2D Compatibility (PS) -15440 + (NN) 1200 + (LL) 2176
1D Compatibility (HY) -12400 + (ID) 3150
Total energy: -113587.0 ( -98.86 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_1WS1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WS1-query.scw
PDB file :
Tito_Scwrl_1WS1.pdb
: