Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKIGVCGPVGSGKTALIEALTRHMSKDYDMAVITNDIYTKEDAEFMCKNSVMPRDRIIGVETGGCPHTAIREDASMNLEAVEEMHGRFPNLELLLIESGGDNLSATFNPELAD-FTIFVIDVAEGDKIPRKGGPGITR-SDLLVINKIDLAPYVGADLKVMERDSKKMRGEKPFIFTNIRAKEGLDDVIAWIKRNALLED
2WSM Chain:A ((31-209))
-VAVNIMGAIGSGKTLLIERTIERIGNEVKIGAMLGDVVSKADYERVRRFGIKAE----AISTGKECHL----DAHMIYHRLK----KFSDCDLLLIENVG-NLICPVDFDLGENYRVVMVSVTEGDDVVEKH-PEIFRVADLIVINKVALAEAVGADVEKMKADAKLINPRAKIIEMDLKTGKGFEEWIDFLRGILN---
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) -80669 for 1456 contacts (-55.4/contact) +
2D Compatibility (PS) -19152 + (NN) -6575 + (LL) 1292
1D Compatibility (HY) -18000 + (ID) 2800
Total energy: -125904.0 ( -86.47 by residue)
QMean score : 0.430
(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
: