Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYLTFKHVDFKTDDKLVLNDINFAIDEGDFVSIVGPSGSGKSTVLKLASGLMSPTAGHIFFDGKDLNQLEPIESRKMISYCFQT----PHLFGNTVEDNISFPYHIRHEK--VDYRRVDDLFQRFEMDQSYLKQDVKKLSGGEKQRIALIRQLLFEPKVLLLDEVTSALDNHNKAIVEKVIKSLHDK-GITILWITHDEEQSRRFANKVLKVVNGSIEAMEVIK
3PUX Chain:B ((2-212))
-ASVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAE--RGVGMVFQSYALYPHL---SVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAH-LLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPL
General information:
TITO was launched using:
RESULT:
Template:
3PUX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123533 for 1602 contacts (-77.1/contact) +
2D Compatibility (PS) -22277 + (NN) -8639 + (LL) 132
1D Compatibility (HY) -16800 + (ID) 3700
Total energy: -174817.0 ( -109.12 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_3PUX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUX-query.scw
PDB file :
Tito_Scwrl_3PUX.pdb
: