Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGDKLLSELGYKLGRTIGEGSYSKVKVATSKKYKGTVAIKVVDRRRAPPDFVNKFLPR---ELSILRGVRHPHIVHVFEFIEVCNGKLYIVME-AAATDLLQAVQRNGRIPGVQARDLFAQIAGAVRYLHDHHLVHRDLKCENVLLSPDERRVKLTDFGFGRQAHGYPDLSTTYCGSAAYASPEVLLGIPYDPKKYDVWSMGVVLYVMVTGCMPFDDSDIAGLPRRQKRGVLYPEGLELSERCKALIAELLQFSPSARPSAGQVARNCWLRAGDSG
4BKZ Chain:A ((12-264))
-----------YELHETIGTG--AKVKLACHILTGEMVAIKIMDKNTL--------LPRIKTEIEALKNLRHQHICQLYHVLETAN-KIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFD-EYHKLKLIDFGLCA--------------SLAYAAPELIQG----GSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGK-YDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQDYNY
General information:
TITO was launched using:
RESULT:
Template:
4BKZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130799 for 1713 contacts (-76.4/contact) +
2D Compatibility (PS) -24273 + (NN) -12300 + (LL) 760
1D Compatibility (HY) -23200 + (ID) 4300
Total energy: -194112.0 ( -113.32 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_4BKZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BKZ-query.scw
PDB file :
Tito_Scwrl_4BKZ.pdb
: