Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQYDITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAIREVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAV-------YQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVCDLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
1AJ0 Chain:A ((13-272))
---------SHPHVMGILNVTPDSFSDGGTHNSLIDAVKHANLMINAGATIIDVGGESTRPGAAEVSVEEELQRVIPVVEAIAQRF-EVWISVDTSKPEVIRESAKVGAHIINDIRSLSE-PGALEAAAETGLPVCLMHMQGNPKTMQEAPKYDDVFAEVNRYFIEQIARCEQAGIAKEKLLLDPGFGFGKNLSHNYSLLARLAEFHHFNLPLLVGMSRKSMIGQLLNVG--PSERLSGSLACAVIAAMQGAHIIRVHDVKETVEAMRVVEATL
General information:
TITO was launched using:
RESULT:
Template:
1AJ0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -172629 for 2092 contacts (-82.5/contact) +
2D Compatibility (PS) -28729 + (NN) -19741 + (LL) 684
1D Compatibility (HY) -17200 + (ID) 4950
Total energy: -242565.0 ( -115.95 by residue)
QMean score : 0.602
(partial model without unconserved sides chains):
PDB file :
Tito_1AJ0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AJ0-query.scw
PDB file :
Tito_Scwrl_1AJ0.pdb
: