Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVAITHTPKLKHLDKLLAHCHRRRYTAKSTIIYAGDRCETLFFIIKGSVTILIEDDDGREMIIGYLNSGDFFGELGLFEKEGSEQERSAWVRAKVECEVAEISYAKFRELSQQDSEILYTLGSQMADRLRKTTRKVGDLAFLDVTGRVARTLLDLCQQPDAMTHPDGMQIKITRQEIGRIVGCSREMVGRVLKSLEEQGLVHVKGKTMVVFGTR
3ROU Chain:B ((12-208))
------------LEWFLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEEGKEMILFYLNQGDFIGELGLFE-EG--QERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLDVTGRIAQTLLNLAKQPDAMTHPDGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVYG--
General information:
TITO was launched using:
RESULT:
Template:
3ROU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136426 for 1394 contacts (-97.9/contact) +
2D Compatibility (PS) -21358 + (NN) -5129 + (LL) 1396
1D Compatibility (HY) -24400 + (ID) 6650
Total energy: -192567.0 ( -138.14 by residue)
QMean score : 0.597
(partial model without unconserved sides chains):
PDB file :
Tito_3ROU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ROU-query.scw
PDB file :
Tito_Scwrl_3ROU.pdb
: