Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEPLILDAPNADACIIWLHGLGADRTDFKPVAEALQMVLPSTRFILPQAPSQAVTVNGGWVMPSWYDILAFSPARAIDEDQLNASADQVIALIDEQRAKGIAAERIILAGFSQGGAVVLHTAFRRYAQPLGGVLALSTYAPTFDDLALDERHKRIPVLHLHGSQDDVVDPALGRAAHDALQAQGVEVGWHDYPMGHEVSLEEIHDIGAWLRKRL
3CN9 Chain:A ((13-226))
-SEPLILDAPNADACIIWLHGLGADRTDFKPVAEALQMVLPSTRFILPQAPSQAVTVNGGWVMPSWYDILAFSPARAIDEDQLNASADQVIALIDEQRAKGIAAERIILAGFSQGGAVVLHTAFRRYAQPLGGVLALSTYAPTFDDLALDERHKRIPVLHLHGSQDDVVDPALGRAAHDALQAQGVEVGWHDYPMGHEVSLEEIHDIGAWLRKRL
General information:
TITO was launched using:
RESULT:
Template:
3CN9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164715 for 1820 contacts (-90.5/contact) +
2D Compatibility (PS) -23109 + (NN) -13805 + (LL) 208
1D Compatibility (HY) -28800 + (ID) 10700
Total energy: -240921.0 ( -132.37 by residue)
QMean score : 0.616
(partial model without unconserved sides chains):
PDB file :
Tito_3CN9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CN9-query.scw
PDB file :
Tito_Scwrl_3CN9.pdb
: