Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNTMNSVLECKELALYGGSFDPLHKAHLAIIEQTLELLPFVQLIVLPAYQNPFKKPCFLDAKTRFKELERALKGMPRVLLSDFEIKQERAVPTIESVLHFQKLY-RPKTLYLVIGADCLRHLSSWTNAKELLKRVELVVFERIGYEEIQFK---------------------GRYHPLKGIDAPISSSAIRASLGV
1YUM Chain:A ((22-207))
---------GKRIGLFGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPPHRETPQVSAAQRLAMVERAVAGVERLTVDPRELQRDKPSYTIDTLESVRAELAADDQLFMLIGWDAFCGLPTWHRWEALLDHCHIVVLQRPDADSEPPESLRDLLAARSVADPQALKGPGGQITFVWQTPLAVSATQIRALLGA
General information:
TITO was launched using:
RESULT:
Template:
1YUM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100046 for 1175 contacts (-85.1/contact) +
2D Compatibility (PS) -17802 + (NN) -8257 + (LL) 752
1D Compatibility (HY) -8400 + (ID) 2100
Total energy: -135853.0 ( -115.62 by residue)
QMean score : 0.541
(partial model without unconserved sides chains):
PDB file :
Tito_1YUM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YUM-query.scw
PDB file :
Tito_Scwrl_1YUM.pdb
: