Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFYTQNEEELIALGQK------LGTVLKSGDIVLLTGNLGAGKTTLTKGIAKGLDIKQMIKSPTYTIVREYEGRVPLYHLDVYRIGDDPDSIDLDDFLFGQGVTVIEWGELLSDNLINNYLEIVITRSNQGRQVQLEAYGHRAREIIEAIQDV
2GZA Chain:A ((149-205))
---TPFEQELLALKEAGDYMSFLRRAVQLERVIVVAGETGSGKTTLMKALMQEIPFDQRLITIEDVPELFLPDHPNHVHLFYPVTAATLLRSCLRMKPTRILLAELRGGEAYDFINVAASGHGGSITSCHAGSCELTFERLALMVLQNRQGRQ
General information:
TITO was launched using:
RESULT:
Template:
2GZA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -5075 for 243 contacts (-20.9/contact) +
2D Compatibility (PS) -5511 + (NN) -3227 + (LL) 432
1D Compatibility (HY) -4400 + (ID) 800
Total energy: -18581.0 ( -76.47 by residue)
QMean score : 0.535
(partial model without unconserved sides chains):
PDB file :
Tito_2GZA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GZA-query.scw
PDB file :
Tito_Scwrl_2GZA.pdb
: