Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPREHGKRSIDNETRSALKRQRPAVIWLTGLSGAGKSTIASALELALFEQKKHTFLLDGDDLRLGLCRNLGYSDEDRTENIRRIAEVAKILLEAGLIVIVATISPFSRDRRLSRELIGIEHFIEVFVDTPLSECERRDPKGLYRKARSGKIENFTGIDSIYETPAQPNITID-TLSEDPDLAVKRIISYLETNQPA
3UIE Chain:A ((11-194))
---------SVEKVDRQRLLDQKGCVIWVTGLSGSGKSTLACALNQMLYQKGKLCYILDGDNVRHGLNRDLSFKAEDRAENIRRVGEVAKLFADAGIICIASLISPYRTDRDACRSLLPEGDFVEVFMDVPLSVCEARDPKGLYKLARAGKIKGFTGIDDPYEPPLNCEISLGREGGTSPIEMAEKVVGYLDNKGYL
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) -85299 for 1461 contacts (-58.4/contact) +
2D Compatibility (PS) -20401 + (NN) -10081 + (LL) 228
1D Compatibility (HY) -15600 + (ID) 4350
Total energy: -135503.0 ( -92.75 by residue)
QMean score : 0.597
(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
: