Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNVRAYQDRGLLPPPERRGRVGVYFDSHLKRLRLISQLLERGYSSANIKELLEAWEQGRDLDHVLG-LDQAIIGEWNLETPGSIGFDELQAIFGDELNDRVIDKAQALGLLLFDGERMKIPSPRLFQAGLELYRSGIPLEALLDQLGELRSDTEHLAAGIVRLIVTHLVDGRGTDLLPGAPDLQELAKVFLRLRPLAEHVVQVELARGLKLSANEMLGERVGEMLRKLEKPS-
3L39 Chain:A ((19-227))
------------SKFTPKEPKFFPLLKQLSDVLSASSVLLVESMEHDLPTERADYYKQIKDMEREGDRLTHLIFDELSTTFITPFDREDIHDLA--SCMDDVIDGINSSAKRIVIYN-PRPISESGKELSRLIHEEAINIGKAMDELETFRKNP--------KPLRDYCTQLHDIENQADDVYELFITKLFEEEKDCIELIKIKEIMHELEKTTDAA--EHVGKILKNLIVKYS
General information:
TITO was launched using:
RESULT:
Template:
3L39.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -36208 for 1622 contacts (-22.3/contact) +
2D Compatibility (PS) -22548 + (NN) -12417 + (LL) 1596
1D Compatibility (HY) -2000 + (ID) 1450
Total energy: -73027.0 ( -45.02 by residue)
QMean score : 0.420
(partial model without unconserved sides chains):
PDB file :
Tito_3L39.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3L39-query.scw
PDB file :
Tito_Scwrl_3L39.pdb
: