Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLLHIDSSILGDASASRQLSAELVQAWRQNEDGLDVTYRDLAADAVAHFSALTLAAGSTPAELRDAALKHEVAVGEEVLEEFLAADVVVIGAPMYNFTISSQLKAWIDRIAVAGKTFRYTENGPVGLAGDKKVVIVSTAGGVHAGQPTGAAHEG--YLRTVLGFFGITDIEVVRAEGLA----YGEEPRTQAIAAARRQIAGQFAAA
3W7A Chain:B ((77-211))
---------------------------------------------------------------------QQKVAAMNTNLETFMNADRYVFVTPMWNFSYPPVVKAYLDNVAIAGKTFKYTENGPVGLLEGKKALHIQATGGVYSEGAYAAVDFGRNHLKTVLGFVGVNDTEYIAVEGMNANPEKAQEIKEAAIANA-RELAKRF---
General information:
TITO was launched using:
RESULT:
Template:
3W7A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -71225 for 819 contacts (-87.0/contact) +
2D Compatibility (PS) -14366 + (NN) -5943 + (LL) 5972
1D Compatibility (HY) -10800 + (ID) 2800
Total energy: -99162.0 ( -121.08 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_3W7A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3W7A-query.scw
PDB file :
Tito_Scwrl_3W7A.pdb
: