Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKKTLAALALGSALFTAGQAMAADYKIDKEGQHAFIEFRIKHLGYSWLYGRFNDFDGSFTFDEKNPSADKVKVTINTNSVDTNHAERDKHLRSGDFLNVSKNPTATFESTEV-KANGDSADITGNLTLNGVTKPVTIKAKLIGQGDDPWGGYRAGFEGSATLKLKDFGIKMDLGPASQEVELLLSVEGIRQ
2FGS Chain:A ((2-163))
------------------------EYTLDK--AHTDVGFKIKHLQISNVKGNFKDYSAVIDFDPASAEFKKLDVTIKIASVNTENQTRDNHLQQDDFFKAKKYPDMTFTMKKYEKIDNEKGKMTGTLTIAGVSKDIVLDAEIGGVAKGKDGKEKIGFSLNGKIKRSDFKFATSTSTITLSDDINLNIEVEAN
General information:
TITO was launched using:
RESULT:
Template:
2FGS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -22911 for 960 contacts (-23.9/contact) +
2D Compatibility (PS) -16996 + (NN) -6283 + (LL) 2492
1D Compatibility (HY) -9200 + (ID) 2500
Total energy: -55398.0 ( -57.71 by residue)
QMean score : 0.309
(partial model without unconserved sides chains):
PDB file :
Tito_2FGS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FGS-query.scw
PDB file :
Tito_Scwrl_2FGS.pdb
: