Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALKLLKKLLFDRPLKNGVILNHQYKIEECLGMGGYGLVYLCTDILAQTPYVLKQLRPTKAKKEKEKVRFQQEIKLLKNIHHPQIPGFIDEFIIDGQAYYVMQFIEGENIEELLFFRKQPFTELMALQLISQLLEIIEYLHDRLIFHSDIRTPNIIIND-GRLCLIDFGLAKQLTPE--------E-------ME-EI-KVRKQDDFFDLGETLLFLLYSQYK--GKKKK----NG---TWLEELTLTKEVTLLLKRLLGIEEE-YQHTASIREDLNRAIQSVT
3H4J Chain:B ((30-282))
--------------------HIGPYIIRETLGEGSFGKVKLATHYKTQQKVALKFISRQLLKKSDMHMRVEREISYLKLLRHPHIIKLYDVITTPTDIVMVIEYA-GGELFDYIV-EKKRMTEDEGRRFFQQIICAIEYCHRHKIVHRDLKPENLLLDDNLNVKIADFGLSNIMTDGNFLKTSCGSPNYAAPEVINGKLYAGPEVDVWSCGIVLYVMLVGRLPFDDEFIPNLFKKVNSCVYVMPDFLSPGAQSLIRRMIVADPMQRITIQEIRRD---------
General information:
TITO was launched using:
RESULT:
Template:
3H4J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132962 for 1644 contacts (-80.9/contact) +
2D Compatibility (PS) -24033 + (NN) -11456 + (LL) 2940
1D Compatibility (HY) -16800 + (ID) 2700
Total energy: -185011.0 ( -112.54 by residue)
QMean score : 0.441
(partial model without unconserved sides chains):
PDB file :
Tito_3H4J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H4J-query.scw
PDB file :
Tito_Scwrl_3H4J.pdb
: