Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALKLLKKLLFDRPLKNGVILNHQYKIEECLGMGGYGLVYLCTDILAQTPYVLKQLRPTKAKKEKEKVRFQQEIKLLKNIHHPQIPGFIDEFIIDGQAYYVMQFIEGENIEELLFFRKQPFTELMALQLISQLLEIIEYLHDRLIFHSDIRTPNIIIND-GRLCLIDFGLAKQLTPEE-------ME-EI-KVRKQDDFFDLGETLLFLLYSQYK--GKKKK---N-GTWLEELTLTKEVTLLLKRLLGIEEE-YQHTASIREDLNRAIQSVT
4RED Chain:A ((14-267))
--------------------KIGHYILGDTLGVGTFGKVKVGKHELTGHAVAVKILNRQKIRSLDVVGKIRREIQNLKLFRHPHIIKLYQVISTPSDIFMVMEYVSGGELFDYIC-KNGRLDEKESRRLFQQILSGVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSD-SPNYAAPEVISGRLYAGPEVDIWSSGVILYALLCGTLPFDDDHVPTLFKK-IFYTPQYLNPSVISLLKHMLQVDPMKRASIKDIREH---------
General information:
TITO was launched using:
RESULT:
Template:
4RED.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122760 for 1625 contacts (-75.5/contact) +
2D Compatibility (PS) -24177 + (NN) -12455 + (LL) 2768
1D Compatibility (HY) -16800 + (ID) 2350
Total energy: -175774.0 ( -108.17 by residue)
QMean score : 0.451
(partial model without unconserved sides chains):
PDB file :
Tito_4RED.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4RED-query.scw
PDB file :
Tito_Scwrl_4RED.pdb
: