Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVIQWYPGHMAKAKREVSEQLKKVDVVFELVDARIPYSSRNPMIDEVINQKPRVVILNKKDMSNLNEMSKWEQFFIDKGYYPVSVDAKHGKNLKKVEAAAIKATAEKFEREKAKGLKPRAIRAMIVGIPNVGKSTLINKLAKRSIAQTGNKPGVTKQQQWIKVSNALQLLDTPGILWPKFEDEEVGKKLSLTGAIKDSIVHLDEVAIYGLNFLIQNDLARLKSHYNI-EVPEDAEIIAWFDAIGKKRGLIRRGNEIDYEAVIELIIYDIRNAKIGNYCFDIFKDMTEELANDANN
1PUJ Chain:A ((9-278))
--------HMAKARREVTEKLKLIDIVYELVDARIPMSSRNPMIEDILKNKPRIMLLNKADKADAAVTQQWKEHFENQGIRSLSINSVNGQGLNQIVPASKEILQEKFDRMRAKGVKPRAIRALIIGIPNVGKSTLINRLAKKNIA------------QWVKVGKELELLDTPGILWPKFEDELVGLRLAVTGAIKDSIINLQDVAVFGLRFLEEHYPERLKERYGLDEIPED--IAELFDAIGEKRGCLMSGGLINYDKTTEVIIRDIRTEKFGRLSFE---------------
General information:
TITO was launched using:
RESULT:
Template:
1PUJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134982 for 1988 contacts (-67.9/contact) +
2D Compatibility (PS) -27786 + (NN) -13512 + (LL) 2068
1D Compatibility (HY) -26400 + (ID) 7050
Total energy: -207662.0 ( -104.46 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_1PUJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PUJ-query.scw
PDB file :
Tito_Scwrl_1PUJ.pdb
: