Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALKLLKKLLFDRPLKNGVILNHQYKIEECLGMGGYGLVYLCTDILAQTPYVLKQLRPTKAKKEKEKVRFQQEIKLLKNIHHPQIPGFIDEFIIDGQAYYVMQFIEGENIEELLFFRKQPFTELMALQLISQLLEIIEYLHDRLIFHSDIRTPNIIIND-GRLCLIDFGLAKQLTPEE-------ME-EIKVRKQDDFFDLGETLLFLLYSQYK--GKKKK----NG---TWLEELTLTKEVTLLLKRLLGIEEE-YQHTASIREDLNRAIQSVT
4BKY Chain:A ((8-261))
--------------------LLKYYELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTL----DLPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYII-SQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCA-----SLAYAAPELIQGK--GSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNH---------
General information:
TITO was launched using:
RESULT:
Template:
4BKY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139765 for 1596 contacts (-87.6/contact) +
2D Compatibility (PS) -23435 + (NN) -12447 + (LL) 3700
1D Compatibility (HY) -18400 + (ID) 2200
Total energy: -192547.0 ( -120.64 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_4BKY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BKY-query.scw
PDB file :
Tito_Scwrl_4BKY.pdb
: