Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDFSKWTGQVALISGAGSELGIGFAIARRLAREGVRLLITASSERI--RQRAEELSACGHDVRAASADLTDEAQVQGLLDWAEAQWGRVDILVNNAGMAQLDSAEPFSAVEATSLRDWQLSLSRNLTSAFLLTRGLLPGMRERGYGRIVNVASTTGTRGSNPGEAAYSAAKAGLVGWSMGLALEVAKSGITVNSVAPGWIATASSTA-----EERQAALASPSGRAGRPEEVAAAVAFLASPEASFVNGELLVVDGGNCLIENKRS
4K6C Chain:B ((11-254))
--------KRIAVVTGGMG--GLGEAVSIRLNDAGHRVVVTYSPNNTGADRWLTEMHAAGREFHAYPVDVADHDSCQQCIEKIVRDVGPVDILVNNAGITRDMTLRKLDKV------NWDAVIRTNLDSVFNMTKPVCDGMVERGWGRIVNISSVNGSKGS-VGQTNYAAAKAGMHGFTKSLALEIARKGVTVNTVSPGYLATKMVTAIPQDILDTKILPQIPAGRLGKPEEVAALVAYLCSEEAGFVTGSNIAINGGQHM------
General information:
TITO was launched using:
RESULT:
Template:
4K6C.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111509 for 1996 contacts (-55.9/contact) +
2D Compatibility (PS) -26078 + (NN) -14079 + (LL) 1540
1D Compatibility (HY) -16400 + (ID) 4700
Total energy: -171226.0 ( -85.78 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_4K6C.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4K6C-query.scw
PDB file :
Tito_Scwrl_4K6C.pdb
: