Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVAITHTPKLKHLDKLLAHCHRRRYTAKSTIIYAGDRCETLFFIIKGSVTILIEDDDGREMIIGYLNSGDFFGELGLFEKEGSEQERSAWVRAKVECEVAEISYAKFRELSQQDSEILYTLGSQMADRLRKTTRKVGDLAFLDVTGRVARTLLDLCQQPDAMTHPDGMQIKITRQEIGRIVGCSREMVGRVLKSLEEQGLVHVKGKTMVVFGTR
3RYR Chain:B ((12-209))
------------LEWFLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFE-EG--QERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLDVTGRIAQTLLNLAKQPDAMTHPDGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVYGT-
General information:
TITO was launched using:
RESULT:
Template:
3RYR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139044 for 1446 contacts (-96.2/contact) +
2D Compatibility (PS) -21488 + (NN) -5889 + (LL) 1344
1D Compatibility (HY) -24400 + (ID) 6700
Total energy: -196177.0 ( -135.67 by residue)
QMean score : 0.582
(partial model without unconserved sides chains):
PDB file :
Tito_3RYR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RYR-query.scw
PDB file :
Tito_Scwrl_3RYR.pdb
: