Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALELLTPFTKVELEEKKRDTNRKQIGIMGGNFNPVHNAHLVVADQVRQQLCLDQVLLMPEFQPPHIDKKETIDEQHRLKMLELAIEGIDGLSIEPIEIERKGISYTYDTMKLL-IEKNPDVDYYFIIGADMVEYLPKWHRIDELVKMVQFVGVQRPKYKA------------------------GTSYPVIWVDLPLMDISSSMIRQFIKSNRQPNYLLPKEVLDYIRKEGLYK
1YUM Chain:A ((23-231))
-----------------------KRIGLFGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPPHRETPQ-VSAAQRLAMVERAVAGVERLTVDPRELQRDKPSYTIDTLESVRAELAADDQLFMLIGWDAFCGLPTWHRWEALLDHCHIVVLQRPDADSEPPESLRDLLAARSVADPQALKGPGGQITFVW-QTPLA-VSATQIRALLGAGRSVRFLVPDAVLNYIEAHHLYR
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) -129083 for 1408 contacts (-91.7/contact) +
2D Compatibility (PS) -20263 + (NN) -12158 + (LL) 2216
1D Compatibility (HY) -15600 + (ID) 3250
Total energy: -178138.0 ( -126.52 by residue)
QMean score : 0.494
(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
: