Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTKDAVAVVTGGASGLGLATTKRLLDAGAQVVVVDL---RGDDVVGGLGDRARFAQADVTDEAAVSNALELA-DSLGPVRVVVNCAGTGNAIRVL--SRDGVFPLAAFRKIVDINLVGTFNVLRLGAERIAKTEP-IGEERGVIINTASVAAFDGQIGQAAYSASKGGVVGMTLPIARDLASKLIRVVTIAPGLFDTPLLASLPAEAKASLGQQVPHPSRLGNPDEYGALVLHIIENPMLNGEVIRLDGAIRMAPR
1E3S Chain:D ((9-261))
---KGLVAVITGGASGLGLSTAKRLVGQGATAVLLDVPNSEGETEAKKLGGNCIFAPANVTSEKEVQAALTLAKEKFGRIDVAVNCAGIAVAIKTYHEKKNQVHTLEDFQRVINVNLIGTFNVIRLVAGVMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVVTIAPGLFATP--------------SQVPFPSRLGDPAEYAHLVQMVIENPFLNGEVIRLDGAIRMQP-
General information:
TITO was launched using:
RESULT:
Template:
1E3S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141674 for 1896 contacts (-74.7/contact) +
2D Compatibility (PS) -25094 + (NN) -11588 + (LL) 1504
1D Compatibility (HY) -24400 + (ID) 7100
Total energy: -208352.0 ( -109.89 by residue)
QMean score : 0.569
(partial model without unconserved sides chains):
PDB file :
Tito_1E3S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1E3S-query.scw
PDB file :
Tito_Scwrl_1E3S.pdb
: