Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLQAIYNETKDLMQKSIQALNRDFSTLRSAKVSVNILDHIKVDYYGTPTALNQVGSVMSLDATTLQISPWEKNLLKEIERSIQEANIGVNPNNDGETIKLFFPPMTTEQRKLIAKDAKAMGEKAKVAVRNTRQDANNKVKKLEKDKEISEDESKKAQEQIQKITDEAIKKIDESVKNKEDAILKV
1IS1 Chain:A ((1-185))
MINEIKKDAQERMDKSVEALKNNLSKVRTGRAHPSLLSGISVEYYGAATPLNQVANVVAEDARTLAITVFDKELTQKVEKAIMMSDLGLNPMSAGTIIRVPLPPLTEERRKDLVKIVRGEAEGGRVAVRNIRRDANNDLKALLKDKEISEDEDRKAQEEIQKLTDVAVKKIDEVLAAKEKELMEV
General information:
TITO was launched using:
RESULT:
Template:
1IS1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -31500 for 1307 contacts (-24.1/contact) +
2D Compatibility (PS) -20106 + (NN) -5767 + (LL) 0
1D Compatibility (HY) -14000 + (ID) 4100
Total energy: -75473.0 ( -57.75 by residue)
QMean score : 0.675
(partial model without unconserved sides chains):
PDB file :
Tito_1IS1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IS1-query.scw
PDB file :
Tito_Scwrl_1IS1.pdb
: