Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEPKYQRILIKLSGEALAGDKGVGIDIPTVQSIAKEIAEVHNSGVQIALVIGGGNLWRGEPAAEAGMDRVQADYTGMLGTVMNALVMADSLQQYGVDTRVQTAIPMQTVAEPYVRGRALRHLEKDRIVVFGAGIGSPYFSTDTTAALRAAEIEAEAILMAKNGVDGVYNADPKKDANAVKFDELTHVEVIKRGLKIMDATASTISMDNDIDLVVFNMNETGNIKRVVLGEQIGTTVSNKASE
3EK6 Chain:A ((3-240))
-ELSYRRILLKLSGEALMGDGDYGIDPKVINRLAHEVIEAQQAGAQVALVIGGGNIFRGAGLAASGMDRVTGDHMGMLATVINALAMQDALEKLGAKVRVMSAIKINDVCEDFIRRRAIRHLEKGRIAIFAAGTGNPFFTTDSGAALRAIEIGADLLLKATK-VDGVYDKDPKKHSDAVRYDSLTYDEVIMQGLEVMDTAAFALARDSDLPLRIFGMSEPGVLLRILHGAQIGTLVQGRS--
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) -156423 for 1957 contacts (-79.9/contact) +
2D Compatibility (PS) -25977 + (NN) -13958 + (LL) 112
1D Compatibility (HY) -21200 + (ID) 6050
Total energy: -223496.0 ( -114.20 by residue)
QMean score : 0.611
(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
: