Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHELLRETPSQTAGPYVHIGLALAAAGNPTRDLEIWNRMAREGARGQHILLLGHVYDGNGHLVRDSFLEFWQADSEGRYQERYDPERPFNSFGRTATTFDAGEWTLHTVKPGVVRNAQGVPMAPHINVSLFARGINIHLQTRLYFDDETEANAACPVLNLIEQAPRRDTLLAQRCEVDGQLAYRFDIRIQGDNETVFFDF
3MFL Chain:C ((3-200))
---ELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHILLLGQVYDGNGHLVRDSFLEVWQADANGEYQDAYNLENAFNSFGRTATTFDAGEWTLHTVKPGVVNNAAGVPMAPHINISLFARGINIHLHTRLYFDDEAQANAKCPVLNLIEQPQRRETLIAKRCEVDGKTAYRFDIRIQGEGETVFFDF
General information:
TITO was launched using:
RESULT:
Template:
3MFL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109040 for 1464 contacts (-74.5/contact) +
2D Compatibility (PS) -20633 + (NN) -4240 + (LL) 224
1D Compatibility (HY) -23600 + (ID) 8100
Total energy: -165389.0 ( -112.97 by residue)
QMean score : 0.506
(partial model without unconserved sides chains):
PDB file :
Tito_3MFL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MFL-query.scw
PDB file :
Tito_Scwrl_3MFL.pdb
: