Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLYEGKAKRIFSTNQENELRVEYKDEVTAGNGAKKDTMAGKGRLNNQITSIIFKYLQENGIESHFIKQLSETEQLVKPVKIIPLEVVVRNIASGSITKRLGFENGEVFREPLVEFFYKNDALNDPLITDDHVKLLNIASDEDIEILKSKALKINNVLKQLMDAMNLKLVDFKIEFGKTETGQILLADEISPDTCRIWDKATNANFDKDVYRNNTGSLIETYQIFLNKLEDLK
3NUA Chain:A ((8-237))
LEMLYEGKAKKIYATDKEDMVIVHYKDDATAFNGEKKAQIESKGVLNNEITSLIFEMLNKEGIKTHFVEKLNDRDQLCKKVEIVPLEVIVRNVAAGSMAKRLGLEEGYELKTTVFELSYKDDSLGDPLINDYHAVGIGATTFEELNKIYEITAKVNEILKEAFKKQNINLIDFKLEFGRYN-GEILLADEISPDTCRFWDATTGEKMDKDRFRRDMGNVINGYREVLNRLR---
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) -77953 for 1794 contacts (-43.5/contact) +
2D Compatibility (PS) -24409 + (NN) -6002 + (LL) 216
1D Compatibility (HY) -23200 + (ID) 5400
Total energy: -136748.0 ( -76.23 by residue)
QMean score : 0.468
(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
: