Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEPDVAGAPASKPEPASTGAASAAQLSGYSRVLLKL-GGEMFGGGQVGLDPDVVAQVARQIADVVRGGVQIAVVIGGGNFFRGAQLQQLGMERTRSDYMGMLGTVMNSLALQDFL-EKEGIVTRVQTAITMGQVAEPYLPLRAVRHLEKGRVVIFGAGMGLPYFSTDTTAAQRALEIGADVVLMAK-AVDGVFAEDPRVNPEAELLTAVSHREVLDRGLRVADATAFSLCMDNGMPILVFNLLTDGNIARAVRGEKIGTLVTT
2JJX Chain:B ((12-245))
-----------------------------YKRVLIKLSGGALADQTGNSFNSKRLEHIANEILSIVDLGIEVSIVIGGGNIFRGHLAEEWGIDRVEADNIGTLGTIINSLMLRGVLTSKTNKEVRVMTSIPFNAVAEPYIRLRAVHHLDNGYIVIFGGGNGQPFVTTDYPSVQRAIEMNSDAILVAKQGVDGVFTSDPKHNKSAKMYRKLNYNDVVRQNIQVMDQAALLLARDYNLPAHVFNFDEPGVMRRICLGEHVGTLIN-
General information:
TITO was launched using:
RESULT:
Template:
2JJX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -195046 for 1893 contacts (-103.0/contact) +
2D Compatibility (PS) -25571 + (NN) -12493 + (LL) 1012
1D Compatibility (HY) -21200 + (ID) 4650
Total energy: -257948.0 ( -136.26 by residue)
QMean score : 0.613
(partial model without unconserved sides chains):
PDB file :
Tito_2JJX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JJX-query.scw
PDB file :
Tito_Scwrl_2JJX.pdb
: