Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALKLLKKLLFDRPLKNGVILNHQYKIEECLGMGGYGLVYLCTDILAQTPYVLKQLRPTKAKKEKEKVRFQQEIKLLKNIHHPQIPGFIDEFIIDGQAYYVMQFIEGENIEELLFFRKQPFTELMALQLISQLLEIIEYLHDRLIFHSDIRTPNIIIND-GRLCLIDFGLAKQLTPE--------EM--------EEIK-VRKQDDFFDLGETLLFLLYSQYK--GKKKK-------NGTWLEELTLTKEVTLLLKRLLGIEEE-YQHTASIREDLNRAIQSVT
3FE3 Chain:A ((51-304))
-------------------PHIGNYRLLKTIGKGNFAKVKLARHILTGREVAIKIIDKTQLN-PTSLQKLFREVRIMKILNHPNIVKLFEVIETEKTLYLIMEYASGGEVFDYLV-AHGRMKEKEARSKFRQIVSAVQYCHQKRIVHRDLKAENLLLDADMNIKIADFGFSNEFTVGGKLDAFCGAPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKRFLVLNPIKRGTLEQIMKD---------
General information:
TITO was launched using:
RESULT:
Template:
3FE3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131940 for 1654 contacts (-79.8/contact) +
2D Compatibility (PS) -24779 + (NN) -14665 + (LL) 2696
1D Compatibility (HY) -14800 + (ID) 2350
Total energy: -185838.0 ( -112.36 by residue)
QMean score : 0.438
(partial model without unconserved sides chains):
PDB file :
Tito_3FE3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FE3-query.scw
PDB file :
Tito_Scwrl_3FE3.pdb
: