Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLYEGKAKRIFSTNQENELRVEYKDEVTAGNGAKKDTMAGKGRLNNQITSIIFKYLQENGIESHFIKQLSETEQLVKPVKIIPLEVVVRNIASGSITKRLGFENGEVFREPLVEFFYKNDALNDPLITDDHVKLLNIASDEDIEILKSKALKINNVLKQLMDAMNLKLVDFKIEFGKTETGQILLADEISPDTCRIWDKATNANFDKDVYRNNTGSLIETYQIFLNKLEDLK
3NUA Chain:A ((8-238))
LEMLYEGKAKKIYATDKEDMVIVHYKDDATAFNGEKKAQIESKGVLNNEITSLIFEMLNKEGIKTHFVEKLNDRDQLCKKVEIVPLEVIVRNVAAGSMAKRLGLEEGYELKTTVFELSYKDDSLGDPLINDYHAVGIGATTFEELNKIYEITAKVNEILKEAFKKQNINLIDFKLEFGRY-NGEILLADEISPDTCRFWDATTGEKMDKDRFRRDMGNVINGYREVLNRLRN--
General information:
TITO was launched using:
RESULT:
Template:
3NUA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77788 for 1801 contacts (-43.2/contact) +
2D Compatibility (PS) -24571 + (NN) -6233 + (LL) 344
1D Compatibility (HY) -23200 + (ID) 5400
Total energy: -136848.0 ( -75.98 by residue)
QMean score : 0.475
(partial model without unconserved sides chains):
PDB file :
Tito_3NUA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NUA-query.scw
PDB file :
Tito_Scwrl_3NUA.pdb
: