Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAKPSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGG--VIAGWVEALQLMNAGSKWRLHVPSELAYGGQ-AVGSIPPHSVLVFDVELLEIL
2PBC Chain:B ((1-96))
---------------------------------------------------------------------------------------------------------------GSPIKSRKGDVLHMHYTGKLEDGTEFDSSLPQNQPFVFSLGTGQVIKGWDQGLLGMCEGEKRKLVIPSELGYGERGAPPKIPGGATLVFEVELLKI-
General information:
TITO was launched using:
RESULT:
Template:
2PBC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -52996 for 632 contacts (-83.9/contact) +
2D Compatibility (PS) -10004 + (NN) -1388 + (LL) 7956
1D Compatibility (HY) -6800 + (ID) 2200
Total energy: -65432.0 ( -103.53 by residue)
QMean score : 0.471
(partial model without unconserved sides chains):
PDB file :
Tito_2PBC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PBC-query.scw
PDB file :
Tito_Scwrl_2PBC.pdb
: