Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKIGVCGPVGSGKTALIEALTRHMSKDYDMAVITNDIYTKEDAEFMCKNSVMPRDRIIGVETG-GCPHTAIREDASMNLEAVEEMHGRFPNLELLLIESGGDNLSATFNPELADFTIFVIDVAEGDKIPRKGGPGITRSDLLVINKIDLAPYVGADLKVMERDSKKMRGEKPFIFTNIRAKEGLDDVIAWIKRNALLED
2WSM Chain:A ((30-213))
TVAVNIMGAIGSGKTLLIERTIERIGNEVKIGAMLGDVVSKADYERVRRFG------IKAEAISTGKECHL-------DAHMIYHRLKKFSDCDLLLIENVGNLICPVDFDLGENYRVVMVSVTEGDDVVEKHPEIFRVADLIVINKVALAEAVGADVEKMKADAKLINPRAKIIEMDLKTGKGFEEWIDFLRGILN---
General information:
TITO was launched using:
RESULT:
Template:
2WSM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76950 for 1516 contacts (-50.8/contact) +
2D Compatibility (PS) -19751 + (NN) -7148 + (LL) 1244
1D Compatibility (HY) -13200 + (ID) 2300
Total energy: -118105.0 ( -77.91 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_2WSM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WSM-query.scw
PDB file :
Tito_Scwrl_2WSM.pdb
: