Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--------MTAIYLAGPDVFRPDAEAHGETLKALCAEFGFV-GLYPLDHALPADIREPAAQAAWIYRANVGLIERADCVLANLEPFRGSEPDSGTAFEVGYALALGKPVYAYLSDAGAYAERLARLAPEWLGEHPGEDRDGWQLEGFGLPLNLMLAVPSRLVAGGPREALRRLAEELGGNA
2KHZ Chain:A ((1-163))
MAASGEQAPCSVYFCGSIRGGREDQALYARIVSRLRRYGKVLTEHVADAELEPLGEEAAGGDQFIHEQDLNWLQQADVVVAEV-----TQPSLGVGYELGRAVALGKPILCLFRPQSGRVLSAMIRGAA----------DGSRFQVWDYAEGEVETMLDRYFEAYLPQKTASSSHPSA---
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) -53376 for 1161 contacts (-46.0/contact) +
2D Compatibility (PS) -16353 + (NN) -6574 + (LL) 40
1D Compatibility (HY) -4400 + (ID) 1350
Total energy: -82013.0 ( -70.64 by residue)
QMean score : 0.347
(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
: