Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVAITHTPKLKHLDKLLAHCHRRRYTAKSTIIYAGDRCETLFFIIKGSVTILIEDDDGREMIIGYLNSGDFFGELGLFEKEGSEQERSAWVRAKVECEVAEISYAKFRELSQQDSEILYTLGSQMADRLRKTTRKVGDLAFLDVTGRVARTLLDLCQQPDAMTHPDGMQIKITRQEIGRIVGCSREMVGRVLKSLEEQGLVHVKGKTMVVFGTR
2CGP Chain:A ((12-208))
------------LEWFLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFE-EG--QERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLDVTGRIAQTLLNLAKQPDAMTHPDGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVYG--
General information:
TITO was launched using:
RESULT:
Template:
2CGP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131696 for 1421 contacts (-92.7/contact) +
2D Compatibility (PS) -21525 + (NN) -6024 + (LL) 1396
1D Compatibility (HY) -24400 + (ID) 6650
Total energy: -188899.0 ( -132.93 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_2CGP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CGP-query.scw
PDB file :
Tito_Scwrl_2CGP.pdb
: