Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCTARTAEEIFVETIAVKTRILNDRVLLEAARAIGDRLIAGYRAGARVFMCGNGGSAADAQHFAAELTGHLIFDRPPLGAEALHANSSHLTAVANDYDYDTVFARALEGSARPGDTLFAISTSGNSMSVLRAAKTARELGVTVVAMTGESGGQLAEFADFLINVPSRDTGRIQESHIVFIHAISEHVEHALFAPRQ
2XBL Chain:D ((20-198))
----------------VMAAMLADERLLATVRKVADACIASIAQGGKVLLAGNGGSAADAQHIAGEFVSRFAFDRPGLPAVALTTDTSILTAIGNDYGYEKLFSRQVQALGNEGDVLIGYSTSGKSPNILAAFREAKAKGMTCVGFTGNRGGEMRELCDLLLEVPSADTPKIQEGHLVLGHIVCGLVEHSIFGKQ-
General information:
TITO was launched using:
RESULT:
Template:
2XBL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130461 for 1536 contacts (-84.9/contact) +
2D Compatibility (PS) -19834 + (NN) -10925 + (LL) 2116
1D Compatibility (HY) -16800 + (ID) 3900
Total energy: -179804.0 ( -117.06 by residue)
QMean score : 0.561
(partial model without unconserved sides chains):
PDB file :
Tito_2XBL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XBL-query.scw
PDB file :
Tito_Scwrl_2XBL.pdb
: