Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRSNGSSSRRTFLRLAALLLPAGALLGSLPGVRAAARPRKLYLAGPDVFRADAVAHGEALKALCARYGFE-GLYPLDNALPKQLAEPREQAAWIYRANIGLIERADAVLANLNFFRGAEPDSGTAFEVGYATALGKPVYGYVDDAGSYAERIRRHAPELIGEDPTRDRDGMTLEEFGLPLNLMLAVPATLVVGDAEQALRQLASRRHG
2KHZ Chain:A ((1-163))
MAASGEQ------------------------------APCSVYFCGSIRGGREDQALYARIVSRLRRYGKVLTEHVADAELEPLGEEAAGGDQFIHEQDLNWLQQADVVVAEVT-----QPSLGVGYELGRAVALGKPILCLFRPQSGRVLSAMIRGAADGSR----------FQVWDYAEGEVETMLDRYFEAYLPQKTASSSHPSA-
General information:
TITO was launched using:
RESULT:
Template:
2KHZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -15183 for 1198 contacts (-12.7/contact) +
2D Compatibility (PS) -16842 + (NN) -4139 + (LL) 2448
1D Compatibility (HY) -3600 + (ID) 1400
Total energy: -38716.0 ( -32.32 by residue)
QMean score : 0.289
(partial model without unconserved sides chains):
PDB file :
Tito_2KHZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KHZ-query.scw
PDB file :
Tito_Scwrl_2KHZ.pdb
: