Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLFLSLERKFKAASDKEVSKQQEAYLRHHFKCYGIKSPERRMLYKELIKAAKRQAKIDWQLLDK-CWQSDYREYHHFVLDYLLAMSQFLTYNDCSRLEFYARHQQWWDSIDVLTKIF-GNLSLKDDKVMNL-LSEWSLDQDFWMRRLAIEHQLGFKEKTNTDILSLFILRNTGSQEFFINKAIGWALRDYSKYNKVWVKDFISNHYDELSTLSIREGSKYL
3JY1 Chain:A ((8-222))
-----ALQEHFTAHQNPEKAEPMARYMKNHFLFLGIQTPERRQLLKDIIQIHTLPDQKDFQIIIRELWDLPEREFQAAALDIMQKYKKHINETHIPFLEELIVTKSWWDSVDSIVPTFLGDIFLKHPELISAYIPKWIASDNIWLQRAAILFQLKYKQKMDEELLFWIIGQLHSSKEFFIQKAIGWVLREYAKTNPDVVWEYVQN--NELAPLSKREAIKHI
General information:
TITO was launched using:
RESULT:
Template:
3JY1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -69152 for 1606 contacts (-43.1/contact) +
2D Compatibility (PS) -22344 + (NN) -8026 + (LL) 752
1D Compatibility (HY) -16800 + (ID) 3450
Total energy: -119020.0 ( -74.11 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_3JY1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JY1-query.scw
PDB file :
Tito_Scwrl_3JY1.pdb
: