Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTAIYLAGPDVFRPDAEAHGETLKALCAEFGFVGLYPLDHALPAD-IREPAAQAAWIYRANVGLIERADCVLANLEPFRGSEPDSGTAFEVGYALALGKPVYAYLSDAGAYAERLARLAPEWLGEHPGEDRDGWQLEGFGLPLNLMLAVPSRLVAGGPREALRRLAEELGGNA
2KHZ Chain:A ((9-111))
PCSVYFCGSIRGGREDQALYARIVSRLRRYGKVLTEHVADAELEPLGEEAAGGDQFIHEQDLNWLQQADVVVAEVT-----QPSLGVGYELGRAVALGKPILCLFRPQSGRVLSAMIRGAADGSRFQVWDYAEGEVETMLDRYFEAYLPQKTASSSHPSA-------------
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) -36599 for 750 contacts (-48.8/contact) +
2D Compatibility (PS) -10735 + (NN) -5140 + (LL) 1008
1D Compatibility (HY) -5600 + (ID) 1150
Total energy: -58216.0 ( -77.62 by residue)
QMean score : 0.330
(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
: