Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLFLSLERKFKAASDKEVSKQQEAYLRHHFKCYGIKSPERRMLYKELIKAAKRQAKIDWQLLDK-CWQSDYREYHHFVLDYLLAMSQFLTYNDCSRLEFYARHQQWWDSIDVLTKIF-GNLSLKDDKVMNL-LSEWSLDQDFWMRRLAIEHQLGFKEKTNTDILSLFILRNTGSQEFFINKAIGWALRDYSKYNKVWVKDFISNHYDELSTLSIREGSKYL
3BVS Chain:A ((7-221))
-----ALQEHFTAHQNPEKAEPMARYMKNHFLFLGIQTPERRQLLKDIIQIHTLPDQKDFQIIIRELWDLPEREFQAAALDIMQKYKKHINETHIPFLEELIVTKSWWDSVDSIVPTFLGDIFLKHPELISAYIPKWIASDNIWLQRAAILFQLKYKQKMDEELLFWIIGQLHSSKEFFIQKAIGWVLREYAKTNPDVVWEYVQN--NELAPLSKREAIKHI
General information:
TITO was launched using:
RESULT:
Template:
3BVS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68617 for 1608 contacts (-42.7/contact) +
2D Compatibility (PS) -22541 + (NN) -9001 + (LL) 752
1D Compatibility (HY) -16800 + (ID) 3450
Total energy: -119657.0 ( -74.41 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_3BVS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BVS-query.scw
PDB file :
Tito_Scwrl_3BVS.pdb
: