Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQYDITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAIREVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMH-------NQEEAVYQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVCDLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
1AJ2 Chain:A ((17-269))
-------------VMGILNVTPDSFSDGGTHNSLIDAVKHANLMINAGATIIDVGGESTRPGAAEVSVEEELQRVIPVVEAIAQRF-EVWISVDTSKPEVIRESAKVGAHIINDIRS-LSEPGALEAAAETGLPVCLMHMQGNPKTMQEAPKYDDVFAEVNRYFIEQIARCEQAGIAKEKLLLDPGFGFGKNLSHNYSLLARLAEFHHFNLPLLVGMSRKSMIGQLL--NVGPSERLSGSLACAVIAAMQGAHIIRVHDVKETVEAMRVVEATL
General information:
TITO was launched using:
RESULT:
Template:
1AJ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164082 for 2038 contacts (-80.5/contact) +
2D Compatibility (PS) -27901 + (NN) -17920 + (LL) 132
1D Compatibility (HY) -18800 + (ID) 5100
Total energy: -233671.0 ( -114.66 by residue)
QMean score : 0.583
(partial model without unconserved sides chains):
PDB file :
Tito_1AJ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AJ2-query.scw
PDB file :
Tito_Scwrl_1AJ2.pdb
: