Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEPDVAGAPASKPEPASTGAASAAQLSGYSRVLLKLGGE-MFGGGQVGLDPDVVAQVARQIADVVRGGVQIAVVIGGGNFFRGAQLQQLGMERTRSDYMGMLGTVMNSLALQDFLEKEGIVTRVQTAITMGQVAEPYLPLRAVRHLEKGRVVIFGAGMGLPYFSTDTTAAQRALEIGADVVLMAKAVDGVFAEDPRVNPEAELLTAVSHREVLDRGLRVADATAFSLCMDNGMPILVFNLLTDGNIARAVRGEKIGTLVTT
3EK5 Chain:C ((9-239))
-----------------------------YRRILLKLSGEALMGDGDYGIDPKVINRLAHEVIEAQQAGAQVALVIGGGNIFRGAGLAASGMDRVTGDHMGMLATVINALAMQDALEKLGAKVRVMSAIKINDVCEDFIRRRAIRHLEKGRIAIFAAGTGNPFFTTDSGAALRAIEIGADLLLKATKVDGVYDKDPKKHSDAVRYDSLTYDEVIMQGLEVMDTAAFALARDSDLPLRIFGMSEPGVLLRILHGAQIGTLV--
General information:
TITO was launched using:
RESULT:
Template:
3EK5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -197279 for 1869 contacts (-105.6/contact) +
2D Compatibility (PS) -25528 + (NN) -13498 + (LL) 1064
1D Compatibility (HY) -19600 + (ID) 5500
Total energy: -260341.0 ( -139.29 by residue)
QMean score : 0.631
(partial model without unconserved sides chains):
PDB file :
Tito_3EK5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EK5-query.scw
PDB file :
Tito_Scwrl_3EK5.pdb
: