Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLLHIDSSILGDASASRQLSAELVQAWRQNEDGLDVTYRDLAADAVAHFSALTLAAGSTP-AELRDAALKHEVAVGEEVLEEFLAADVVVIGAPMYNFTISSQLKAWIDRIAVAGKTFRYTENG-----PVGLAGDKKVVIVSTAGGVHAGQPTGAAH---EGYLRTVLGFFGITDIEVVRAEGLAYGEEPRTQAIAAARRQIAGQFAAA
3R6W Chain:B ((3-186))
-RILAVHASPRGERSQSRRLAEVFLAAYREAHPQARVARREVGRVPLPAVTEAFVAAAFHPQPEQRSLAMQADLALSDQLVGELFDSDLLVISTPMYNFSVPSGLKAWIDQIVRLGVTFDF----VAQYRPL-LRGKRALIVTSRGGHGFGPGGENQAMNHADPWLRTALGFIGIDEVTVVAAEGEDSCDEAEQRLLALARS---------
General information:
TITO was launched using:
RESULT:
Template:
3R6W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86350 for 1295 contacts (-66.7/contact) +
2D Compatibility (PS) -18634 + (NN) -8768 + (LL) 400
1D Compatibility (HY) -14800 + (ID) 2850
Total energy: -131002.0 ( -101.16 by residue)
QMean score : 0.519
(partial model without unconserved sides chains):
PDB file :
Tito_3R6W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R6W-query.scw
PDB file :
Tito_Scwrl_3R6W.pdb
: