Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATPPKRSCPSFSASSEGTRIKKISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCNVQSTQDEFEELTMSQKNGGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSVYSDRYIFASNLYESECMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQATPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEVPILTLDVNEDFKDKYESLVEKVKEFLSTL
2A30 Chain:C ((23-248))
-------------------RIKKISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCNVQST---------------NVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSVYSDRYIFASNLYESECMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQATPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEVPILTLDVNE-----YESLVEKVKEFLSTL
General information:
TITO was launched using:
RESULT:
Template:
2A30.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126000 for 1705 contacts (-73.9/contact) +
2D Compatibility (PS) -23306 + (NN) -7053 + (LL) 1088
1D Compatibility (HY) -35200 + (ID) 11050
Total energy: -201521.0 ( -118.19 by residue)
QMean score : 0.622
(partial model without unconserved sides chains):
PDB file :
Tito_2A30.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A30-query.scw
PDB file :
Tito_Scwrl_2A30.pdb
: