Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPGSRRASPQSAREVVELDRDEAMRLLASVDHGRVVFTR-----AALPAIRPVNHLVV--DGRVIGRTR--LTAKVSVAVRSSADAGVVVAYEADDLDPR---------RRTGWSVVVTGLATEVSDPEQVARY-QRLLH-----PW-----V-----NMAMDTVVAIEPEIVTGIRIVADSRTP
2VPA Chain:A ((40-199))
---------------QNRQSDEWIRELLLRGTIARVATLWQGEDGAAFPFITPLAYAYRPEQGDLVYHTNVVGRLRANAGQ------GHPATLEVSEIGQFLPSNSPLELSVQYRSVMVFGTARVLAGE-DARAALTTLSERVFPGLKVGETTRPISEDDLKRTSVYSLSIDRWSGKENWAE----
General information:
TITO was launched using:
RESULT:
Template:
2VPA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68914 for 835 contacts (-82.5/contact) +
2D Compatibility (PS) -13873 + (NN) -1219 + (LL) 800
1D Compatibility (HY) 2000 + (ID) 1100
Total energy: -82306.0 ( -98.57 by residue)
QMean score : 0.402
(partial model without unconserved sides chains):
PDB file :
Tito_2VPA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VPA-query.scw
PDB file :
Tito_Scwrl_2VPA.pdb
: