Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKEIKTKTKERMLKTIQSFYNDIKGIRTGRASASLLDGIVVNIYGGHQKLNQVAGVSVTDNKTLLIKVWDIGVIGEVKNAILNANLNLNPVVEGNTIRIVLPDLTQETRERLVKLLHQFAENARVAIRNIRRDIMEEIERMQENKKISEDDFHNAKKEIQNITDDNIKKIDGELSIKEKDILNY
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) -88730 for 1307 contacts (-67.9/contact) +
2D Compatibility (PS) -20656 + (NN) -8140 + (LL) 0
1D Compatibility (HY) -14400 + (ID) 4150
Total energy: -136076.0 ( -104.11 by residue)
QMean score : 0.685
(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
: