Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LITHVIWDMGETLNTVPNTRYDHYPLDTYPEVVLRKDAKETLEKVKQLGFKQAILSNTATSDTEVIKRVLTNFGIIDYFDFIYASNSELQPGKMEKPDKTIFDFTLNELQIDKTEAVMVGNTFESDIIGANRAGIHAIWLQNPEVCLQDERQPLVAPPFVIPVWDLADVPEALLLLKKISS
3UMB Chain:A ((96-228))
-----------------------------ACLSAFPENVPVLRQLREMGLPLGILSNGNPQ---MLEIAVKSAGMSGLFDHVLSVDAV----RLYKTAPAAYALAPRAFGVPAAQILFVSSNG-WDACGATWHGFTTFWINRLGHPPEAL---DVAPAAAGH--DMRDLLQFVQA------
General information:
TITO was launched using:
RESULT:
Template:
3UMB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -57397 for 952 contacts (-60.3/contact) +
2D Compatibility (PS) -13823 + (NN) -5049 + (LL) 2720
1D Compatibility (HY) -5200 + (ID) 1050
Total energy: -79799.0 ( -83.82 by residue)
QMean score : 0.432
(partial model without unconserved sides chains):
PDB file :
Tito_3UMB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UMB-query.scw
PDB file :
Tito_Scwrl_3UMB.pdb
: