Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNGAVPMLAIDGPSGAGKGTVAGLLARRLGWNLLDSGALYRLLAFAAVNHGVDLTNEEALKVLAAHLDVQFVAADGSHGQRIILEGEEVTDVIRTEQVGAGASQVAALPAVRDALLQRQRAFREAPG-LVADGRDMGTVVFPDAPLKIFLTASAEERARRRYLQLKAKGADVDQSALLEEIRERDERDSQRAVAPLKPADDAILLDSTEMSIEAVVETIIRHCERQGWDV
4DIE Chain:D ((6-217))
------VVAVDGPSGTGKSSVAKELARQLGASYLDTGAMYRIVTLWVLRAGVDLTDPAAIA--AATDQVPMSVSSDPDAQTALLAGEDVSVPIRGNEVTGAVSAVSAVPAVRERLVRQQRELAESSGAVVVEGRDIGTVVLPDADVKIYLTASAQARAQR--------------------VQRRDHLDSTRAVSPLRPAEDALEVDTSDMTQEQVVAHLL----------
General information:
TITO was launched using:
RESULT:
Template:
4DIE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112343 for 1508 contacts (-74.5/contact) +
2D Compatibility (PS) -21005 + (NN) -12462 + (LL) 2888
1D Compatibility (HY) -16800 + (ID) 4450
Total energy: -164172.0 ( -108.87 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_4DIE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DIE-query.scw
PDB file :
Tito_Scwrl_4DIE.pdb
: