Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEPKYQRILIKLSGEALAGDKGVGIDIPTVQSIAKEIAEVHNSGVQIALVIGGGNLWRGEPAAEAGMDRVQADYTGMLGTVMNALVMADSLQQYGVDTRVQTAIPMQTVAEPYVRGRALRHLEKDRIVVFGAGIGSPYFSTDTTAALRAAEIEAEAILMAKNGVDGVYNADPKKDANAVKFDELTHVEVIKRGLKIMDATASTISMDNDIDLVVFNMNETGNIKRVVLGEQIGTTVSNKASE
3EK6 Chain:A ((3-239))
-ELSYRRILLKLSGEALMGDGDYGIDPKVINRLAHEVIEAQQAGAQVALVIGGGNIFRGAGLAASGMDRVTGDHMGMLATVINALAMQDALEKLGAKVRVMSAIKINDVCEDFIRRRAIRHLEKGRIAIFAAGTGNPFFTTDSGAALRAIEIGADLLLKA-TKVDGVYDKDPKKHSDAVRYDSLTYDEVIMQGLEVMDTAAFALARDSDLPLRIFGMSEPGVLLRILHGAQIGTLVQGRS--
General information:
TITO was launched using:
RESULT:
Template:
3EK6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157538 for 1951 contacts (-80.7/contact) +
2D Compatibility (PS) -25972 + (NN) -14289 + (LL) 388
1D Compatibility (HY) -21200 + (ID) 6050
Total energy: -224661.0 ( -115.15 by residue)
QMean score : 0.613
(partial model without unconserved sides chains):
PDB file :
Tito_3EK6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EK6-query.scw
PDB file :
Tito_Scwrl_3EK6.pdb
: