Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQYDITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAIREVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAV------YQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGF---AKTEEQNLELLKGLEQVCDLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
3TR9 Chain:A ((23-289))
-----IVF-SEPAVMGIINVSPNSFYHPH--LDLNSALRTAEKMVDEGADILDIGGEATNPFV-SPSTQIELDRLLPVIDAIKKRF-PQLISVDTSRPRVMREAVNTGADMINDQRALQL-DDALTTVSALKTPVCLMHFPSETRKPGSTTHFYFLQSVKKELQESIQRCKKAGISEDRIIIDPGFGQGNYGKNVSENFYLLNKLPEFVAMGLPVLSGWSRKSMIGDVLNQP--PENRLFGSIAADVLAVYHGASIIRTHDVKATREAIKIATYTR
General information:
TITO was launched using:
RESULT:
Template:
3TR9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -178938 for 2169 contacts (-82.5/contact) +
2D Compatibility (PS) -28129 + (NN) -16113 + (LL) 720
1D Compatibility (HY) -13200 + (ID) 4000
Total energy: -239660.0 ( -110.49 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_3TR9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TR9-query.scw
PDB file :
Tito_Scwrl_3TR9.pdb
: