Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALKLLKKLLFDRPLKNGVILNHQYKIEECLGMGGYGLVYLCTDILAQTPYVLKQLRPTKAKKEKEKVRFQQEIKLLKNIHHPQIPGFIDEFIIDGQAYYVMQFIEGENIEELLFFRKQPFTELMALQLISQLLEIIEYLHDRLIFHSDIRTPNIIIND-GRLCLIDFGLAKQLTPE---------E--------MEEIKVRKQDDFFDLGETLLFLLYSQYK--GKKK-KN---------GTWLEELTLTKEVTLLLKRLLGIEEE-YQHTASIREDLNRAIQSVT
4LGD Chain:A ((24-285))
--------------------PEEVFDVLEKLGEGSYGSVFKAIHKESGQVVAIKQVPVES-----DLQEIIKEISIMQQCDSPYVVKYYGSYFKNTDLWIVMEYCGAGSVSDIIRLRNKTLIEDEIATILKSTLKGLEYLHFMRKIHRNIKAGNILLNTEGHAKLADFGVAGQLTDTMAKRNTVIGTPFWMAPEVIQEIGYNCVADIWSLGITSIEMAEGKPPYADIHPMRAIFMIPTNPPPTFRKPELWSDDFTDFVKKCLVKNPEQRATATQLLQH---------
General information:
TITO was launched using:
RESULT:
Template:
4LGD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130363 for 1602 contacts (-81.4/contact) +
2D Compatibility (PS) -24299 + (NN) -11775 + (LL) 3144
1D Compatibility (HY) -11600 + (ID) 2300
Total energy: -177193.0 ( -110.61 by residue)
QMean score : 0.448
(partial model without unconserved sides chains):
PDB file :
Tito_4LGD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LGD-query.scw
PDB file :
Tito_Scwrl_4LGD.pdb
: