Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLTLSGWITTQVPPSSRAAADAKAARTGTAEQAEDPAAGTDAADQHVQ-----LSQAGRELAATMGVPVEEEDEDI----PQELRPMVKMIR-----ELKKKIEEKLRELQEAMRSSDPGAKEARVPELQKELQQLNSALQTATAAMASAIKEMGISDPALIMKVMGSR
1PWV Chain:A ((276-348))
--------------------------------------------QHYQHWSDSLSEEGRGLLKKLQIPIEPKKDDIIHSLSQEEKELLKRIQIDSSDFLSTEEKEFLKKLQIDIRDSLPLSEKEKEFLKKLKLDIQPYDINQRLQDTGGLIDSPSINLDVRKQYKRDIQ
General information:
TITO was launched using:
RESULT:
Template:
1PWV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -1960 for 236 contacts (-8.3/contact) +
2D Compatibility (PS) -6466 + (NN) -2435 + (LL) 2540
1D Compatibility (HY) -4400 + (ID) 1150
Total energy: -13871.0 ( -58.78 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_1PWV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PWV-query.scw
PDB file :
Tito_Scwrl_1PWV.pdb
: