Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPREHGKRSIDNETRSALKRQRPAVIWLTGLSGAGKSTIASALELALFEQKKHTFLLDGDDLRLGLCRNLGYSDEDRTENIRRIAEVAKILLEAGLIVIVATISPFSRDRRLSRELIGIEHFIEVFVDTPLSECERRDPKGLYRKARSGKIENFTGIDSIYETPAQPNITIDTLSEDPDLAVKRIISYLETNQPA
3UIE Chain:C ((11-194))
---------SVEKVDRQRLLDQKGCVIWVTGLSGSGKSTLACALNQMLYQKGKLCYILDGDNVRHGLNRDLSFKAEDRAENIRRVGEVAKLFADAGIICIASLISPYRTDRDACRSLLPEGDFVEVFMDVPLSVCEARDPKGLYKLARAGKIKGFTGIDDPYEPPLNCEISLG---TSPIEMAEKVVGYLDNKGYL
General information:
TITO was launched using:
RESULT:
Template:
3UIE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85315 for 1452 contacts (-58.8/contact) +
2D Compatibility (PS) -20106 + (NN) -9977 + (LL) 428
1D Compatibility (HY) -16000 + (ID) 4350
Total energy: -135320.0 ( -93.20 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_3UIE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UIE-query.scw
PDB file :
Tito_Scwrl_3UIE.pdb
: