Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRPKRILATIIIFLSLLFTIIYIDDIQKWFNQYTDKLTQNHKGQGHSKWEDFFRGS---RITETFGKYQHS---PFDGKHYGIDFALPKGTPIKAPTNGKVTRIFNNELGGKVLQIAEDNGEYHQWYLHLDKYNVKVGDRVKAGDIIAYSGNTGKQTTGAHLHFQRMKGGVGNAYAEDPKPFIEQLPDGERSLYDL
2GU1 Chain:A ((201-331))
--------------------------------------------------FNRYPVDKAYRQITSGFNPKRKHPVTGRVVPHNGTDFATPIGAPVYSTGDGKVIVVRKHPYAGNYLVIEHNSV-YKTRYLHLDKILVKKGQLVKRGQKIALAGATGRL-TGPHLHFEVLVRN----RPVDAMKADLP-----------
General information:
TITO was launched using:
RESULT:
Template:
2GU1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -17244 for 917 contacts (-18.8/contact) +
2D Compatibility (PS) -13226 + (NN) -7532 + (LL) 4656
1D Compatibility (HY) -4400 + (ID) 2100
Total energy: -39846.0 ( -43.45 by residue)
QMean score : 0.403
(partial model without unconserved sides chains):
PDB file :
Tito_2GU1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GU1-query.scw
PDB file :
Tito_Scwrl_2GU1.pdb
: