Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHNDLKEVLLTEEDIQNICKELGAQLTKDYQGKPLVCVGILKGSAMFMSDLIKRIDTHLSIDFMDVSSYHGGTESTGEVQIIKDLGSSIENKDVLIIEDILETGTTLKSITELLQSRKVNSLEIVTLLDKPNRRKADIEAKYVGKKIPDEFVVGYGLDYRELYRNLPYIGTLKPEVYSN
4QYI Chain:B ((6-176))
--IEIKDTLISEEQLQEKVKELALQIERDFEGEEIVVIAVLKGSFVFAADLIRHIKNDVTIDFISASSYGNQTETTGKVKLLKDIDVNITGKNVIVVEDIIDSGLTLHFLKDHFFMHKPKALKFCTLLDKPERRKVDLTAEYVGFQIPDEFIVGYGIDCAEKYRNLPFIASVV------
General information:
TITO was launched using:
RESULT:
Template:
4QYI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129752 for 1330 contacts (-97.6/contact) +
2D Compatibility (PS) -18315 + (NN) -4491 + (LL) 392
1D Compatibility (HY) -20400 + (ID) 3800
Total energy: -176366.0 ( -132.61 by residue)
QMean score : 0.539
(partial model without unconserved sides chains):
PDB file :
Tito_4QYI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QYI-query.scw
PDB file :
Tito_Scwrl_4QYI.pdb
: