Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSFLDKELVNLHGSAKNADEAIVQAGELLVNAGYVSEQYVEKMVESYHENGAYFVIAPQIAIPHA--RPTDGVENSAVSLVVLKDGVNFGHAANDPVRLVFGLAATSSEAHLKVIQKIVSLLSNNDNIEKMIHSEDYQAIGELVEG
1A3A Chain:A ((7-146))
---LGAENIFLGRKAATKEEAIRFAGEQLVKGGYVEPEYVQAMLDREKLTPTY--LGESIAVPHGTVEAKDRVLKTGVVFCQYPEGVRFGEEEDDIARLVIGIAARNNE-HIQVITSLTNALDDESVIERLAHTTSVDEVLELLAG
General information:
TITO was launched using:
RESULT:
Template:
1A3A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105354 for 1092 contacts (-96.5/contact) +
2D Compatibility (PS) -15031 + (NN) -7227 + (LL) 780
1D Compatibility (HY) -11600 + (ID) 2400
Total energy: -140832.0 ( -128.97 by residue)
QMean score : 0.658
(partial model without unconserved sides chains):
PDB file :
Tito_1A3A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A3A-query.scw
PDB file :
Tito_Scwrl_1A3A.pdb
: