Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEIIHYPSKILRTISKEVVSFDSKLHQQLDDMHETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKWIETKGSIMYREGCLSVPGFYEEVERFEKVKIEYQNRFAEVKILEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK
1WS1 Chain:A ((1-147))
MAVLEIIKHPNEVLETPCERVINFDKKLVKLLKDMHETMLIADGVGLAAPQVGVSLQVAVVDVDDDTGK------IELINPSILEKRGEQVGPEGCLSFPGLYGEVERADYIKVRAQNRRGKVFLLEAEGFLARAIQHEIDHLHGVLFTSKVTRYYE-----------------
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) -91241 for 1145 contacts (-79.7/contact) +
2D Compatibility (PS) -15532 + (NN) -1501 + (LL) 2156
1D Compatibility (HY) -15200 + (ID) 3650
Total energy: -124968.0 ( -109.14 by residue)
QMean score : 0.473
(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
: