Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTHLEIEYKTLLNKDEFNRLTSLFSHVQPITQTNYYFDTETFEMKAHRMSLRIRTLPNRAELTLKIPREVGNLEHNHDLTLEEAKYIVKNGQFPEDTEIASLILEKGVDPTKLAVFGQLTTTRREMETSIGLMALDSNIYADIKDYELELEVKQPKQGKRDFDQFLKENNINFKYAKSKVARFSATLKNN
3SY3 Chain:A ((8-178))
---IEIEFKNIVTEEEFHALCKSFSIEVFTKQVNHYFETPNSSLKEAGSALRIRHKGETYTLTLKQPAEVGLLETHQVVTENEAKMMMETNVIISGA-VMNQLCKLQIPVSALTYMGSLTTERAETLFEGGTLVFDHSFYYNHDDYEIEFEVQDEETGKAAFIHLLKQHNIPIRH---------------
General information:
TITO was launched using:
RESULT:
Template:
3SY3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -31144 for 1225 contacts (-25.4/contact) +
2D Compatibility (PS) -17517 + (NN) 2697 + (LL) 1468
1D Compatibility (HY) -11200 + (ID) 2800
Total energy: -58496.0 ( -47.75 by residue)
QMean score : 0.333
(partial model without unconserved sides chains):
PDB file :
Tito_3SY3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SY3-query.scw
PDB file :
Tito_Scwrl_3SY3.pdb
: