Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAIILPDLPYAYDALEPHIDAETMTLHHDKHHATYVANANAALEKHPEIGE-DLEALLADVSQIPEDIRQAVINNGGGHLNHALFWELMSPEETQISQELSEDINATFGSFEDFKAAFTAAATGRFGSGWAWLVVNAEGKLEVLSTANQDTPIM------EGKKPILGLDVWEHAYYLNYRNVRPNYIKAFFEIINWNKVNELYQAAKA
3K9S Chain:C ((1-205))
-SYTLPSLPYAYDALEPHFDKQTMEIHHTKHHQTYVNNANAALESLPEFANLPVEELITKLDQLPADKKTVLRNNAGGHANHSLFWKGLK-KGTTLQGDLKAAIERDFGSVDNFKAEFEKAAASRFGSGWAWLVLKGD-KLAVVSTANQDSPLMGEAISGASGFPIMGLDVWEHAYYLKFQNRRPDYIKEFWNVVNWDEAAARFAAKK-
General information:
TITO was launched using:
RESULT:
Template:
3K9S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108281 for 1583 contacts (-68.4/contact) +
2D Compatibility (PS) -20585 + (NN) -6192 + (LL) 40
1D Compatibility (HY) -20000 + (ID) 5250
Total energy: -160268.0 ( -101.24 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_3K9S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K9S-query.scw
PDB file :
Tito_Scwrl_3K9S.pdb
: