Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVASKEPIMSQSERRFSFEFFPAKTEAGHEKLLATARNLAGYKPDFFSCTYGAGGSTRDRTLSTVLQLDGEVKVPTAPHLSCVGDSKAELRELLGRYREAGIRRIVALRGDLPSGMGMASGELRYANELVDFIRTETGDHFHIEVAAYPEVHPQARSFEDDLANFVRKVKAGASSAITQYFFNADAYFYFVERVAKLGVDIPVVPGIMPITNYSKLARFSDACGAELPRWIRKQLEAYGDDSRSIQAFGEQVISEMCERLLEGGAPGLHFYTLNQADPSLAIWKNLQLPR
2FMO Chain:A ((22-290))
------------QINVSFEFFPPRTSEMEQTLWNSIDRLSSLKPKFVSVTYGA-----DRTHSIIKGIKDRTGLEAAPHLTCIDATPDELRTIARDYWNNGIRHIVALRGDL-------E---MYASDLVTLLK-EVAD-FDISVAAYPEVHPEAKSAQADLLNLKRKVDAGVNRAITQFFFDVESYLRFRDRCVSAGIDVEIIPGILPVSNFKQAKKFADMTNVRIPAWMAQMFDGLDDDAETRKLVGANIAMDMVKILSREGVKDFHFYTLNRAEMSYAICHTLGVRP
General information:
TITO was launched using:
RESULT:
Template:
2FMO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -165653 for 2073 contacts (-79.9/contact) +
2D Compatibility (PS) -28058 + (NN) -13398 + (LL) 1052
1D Compatibility (HY) -24000 + (ID) 5250
Total energy: -235307.0 ( -113.51 by residue)
QMean score : 0.616
(partial model without unconserved sides chains):
PDB file :
Tito_2FMO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FMO-query.scw
PDB file :
Tito_Scwrl_2FMO.pdb
: