Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQYDITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAIREVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMH---NQEEAVYQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVCDLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
3TYU Chain:A ((20-272))
-------------VMGILNVTPDS------HNNLDQALQHAQRMLSAGATLIDIGGESTRPGAAEVSEQEELDRVVPVVEALAQRF-DVWLSVDTSKAAVITESAHAGAHLINDIRS-LQEPGALEAAAKTGLPVCLMHMQGMQHSPYYDDLMTDINRFFQHHIERCVAAGIAKNKLLLDPGFGFGKNLAHNYQLLAHLSELHHFELPLLVGMSRKSMVGQLL--NVPPQQRVIGSVACAVIAAMQGAQIIRVHDVKETVEAMCIVEATR
General information:
TITO was launched using:
RESULT:
Template:
3TYU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157408 for 1985 contacts (-79.3/contact) +
2D Compatibility (PS) -26604 + (NN) -15704 + (LL) -212
1D Compatibility (HY) -20000 + (ID) 4850
Total energy: -224778.0 ( -113.24 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_3TYU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TYU-query.scw
PDB file :
Tito_Scwrl_3TYU.pdb
: