Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQAKIKNKRVLVKFSGEALAGDNQFGIDIHVLDHIAKEIRSLVENDIEVGIVIGGGNIIRGVSAAQGGIIRRTSGDYMGMLATVINAVAMQEALEHIGLDTRVQSAIEIKEICESYIYRKAIRHLEKGRVVIFGAGTGNPFFTTDTAATLRAIEIGSDLIIKATKVDGIYDKDPNKFKDAKKLDTLSYNDALIGDIEVMDDTAISLAKDNKLPIVVCNMFKKGNLLQVIKHQQGVFSMVK
3EK6 Chain:A ((2-237))
--SELSYRRILLKLSGEALMGDGDYGIDPKVINRLAHEVIEAQQAGAQVALVIGGGNIFRGAGLAASGM-DRVTGDHMGMLATVINALAMQDALEKLGAKVRVMSAIKINDVCEDFIRRRAIRHLEKGRIAIFAAGTGNPFFTTDSGAALRAIEIGADLLLKATKVDGVYDKDPKKHSDAVRYDSLTYDEVIMQGLEVMDTAAFALARDSDLPLRIFGMSEPGVLLRILHGAQ-IGTLVQ
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) -159459 for 1936 contacts (-82.4/contact) +
2D Compatibility (PS) -26014 + (NN) -12391 + (LL) 360
1D Compatibility (HY) -24000 + (ID) 6200
Total energy: -227704.0 ( -117.62 by residue)
QMean score : 0.555
(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
: