Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVGVLGAKGKVGATMVRAVAAADDLTLSAELDAGDPLSLLTDGNTEVVIDFTHPDVVMGNLEFLIDNGIHAVVGTTGFTAERFQQVESWLVAKPNTSVLIAPNFAIGAVLSMHFAKQAARFFDSAEVIELHHPHKADAPSGTAARTAKLIAEARK--GLPPNPDATSTSLPGARGADVDGIPVHAVRLAGLVAHQEVLFGTEGETLTIRHDSLDRTSFVPGVLLAVRRIAERPGLTVGLEPLLDLH
5EES Chain:A ((2-247))
IKVGVLGAKGRVGQTIVAAVNESDDLELVAEIGVDDDLSLLVDNGAEVVVDFTTPNAVMGNLEFCINNGISAVVGTTGFDDARLEQVRDWLEGKDNVGVLIAPNFAISAVLTMVFSKQAARFFESAEVIELHHPNKLDAPSGTAIHTAQGIAAARKEAGMDAQPDATEQALEGSRGASVDGIPVHAVRMSGMVAHEQVIFGTQGQTLTIKQDSYDRNSFAPGVLVGVRNIAQHPGLVVGLEHYLGL-
General information:
TITO was launched using:
RESULT:
Template:
5EES.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170674 for 1928 contacts (-88.5/contact) +
2D Compatibility (PS) -26971 + (NN) -18446 + (LL) 44
1D Compatibility (HY) -28000 + (ID) 8050
Total energy: -252097.0 ( -130.76 by residue)
QMean score : 0.806
(partial model without unconserved sides chains):
PDB file :
Tito_5EES.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5EES-query.scw
PDB file :
Tito_Scwrl_5EES.pdb
: