Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKIYLNKCRFYGYHGAFSEEQTLGQVFQVDAVLSLDLAKASQTDDLIDTVHYGEVFDCIKNHVENEQYQLIEKLAGVIVEDIFLQFHPVQAITLKITKDNPP-INGHYESVGIELERKRV
1SQL Chain:P ((22-140))
-DKLILKGLKFYGFHGAIAEERTLGQMFLVDIDAWVSLKKAGESDNLEDTISYVDIFSLAKEIVEGSPRNLLETVAELIASKTLEKFHQINAVRVKLSKPNVALIKSTIDYLGVDIFRQRN
General information:
TITO was launched using:
RESULT:
Template:
1SQL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -78573 for 852 contacts (-92.2/contact) +
2D Compatibility (PS) -12370 + (NN) -3784 + (LL) 208
1D Compatibility (HY) -11600 + (ID) 2200
Total energy: -108319.0 ( -127.13 by residue)
QMean score : 0.581
(partial model without unconserved sides chains):
PDB file :
Tito_1SQL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SQL-query.scw
PDB file :
Tito_Scwrl_1SQL.pdb
: