Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQAKIKNKRVLVKFSGEALAGDNQFGIDIHVLDHIAKEIRSLVENDIEVGIVIGGGNIIRGVSAAQGGIIRRTSGDYMGMLATVINAVAMQEALEHIGLDTRVQSAIEIKEICESYIYRKAIRHLEKGRVVIFGAGTGNPFFTTDTAATLRAIEIGSDLIIKATKVDGIYDKDPNKFKDAKKLDTLSYNDALIGDIEVMDDTAISLAKDNKLPIVVCNMFKKGNLLQVIKHQQGVFSMVK
3EK6 Chain:A ((2-231))
--SELSYRRILLKLSGEALMGDGDYGIDPKVINRLAHEVIEAQQAGAQVALVIGGGNIFRGAGLAASGM-DRVTGDHMGMLATVINALAMQDALEKLGAKVRVMSAIKINDVCEDFIRRRAIRHLEKGRIAIFAAGTGNPFFTTDSGAALRAIEIGADLLLKATKVDGVYDKDPKKHSDAVRYDSLTYDEVIMQGLEVMDTAAFALARDSDLPLRIFGMSEPGVLLRILHGAQIGTLVQG
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) -143725 for 1830 contacts (-78.5/contact) +
2D Compatibility (PS) -25514 + (NN) -13693 + (LL) 532
1D Compatibility (HY) -23200 + (ID) 6150
Total energy: -211750.0 ( -115.71 by residue)
QMean score : 0.566
(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
: