Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDTPDYKRVVLKLSGEALAGNDGFGINPSVVNLISAQIKEVVELGVEVAIVVGGGNIWRGKLGSEMGMDRAAADQMGMLATIMNSLSLQDSLENIGVATRVQTSIDMRQIAEPYIRRKAIRHLEKGRVVIFAGGTGNPYFSTDTAAALRAAEIEADVILMAKNNVDGVYNADPKLDENAKKYEELSYLDVIKEGLEVMDTTASSLSMDNDIPLIVFSFTEQGNNIKRVILGEKIGTTVRGKK
3EK6 Chain:A ((1-239))
MSELSYRRILLKLSGEALMGDGDYGIDPKVINRLAHEVIEAQQAGAQVALVIGGGNIFRGAGLAASGMDRVTGDHMGMLATVINALAMQDALEKLGAKVRVMSAIKINDVCEDFIRRRAIRHLEKGRIAIFAAGTGNPFFTTDSGAALRAIEIGADLLLKA-TKVDGVYDKDPKKHSDAVRYDSLTYDEVIMQGLEVMDTAAFALARDSDLPLRIFGMSEPG-VLLRILHGAQIGTLVQGR-
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) -153070 for 1959 contacts (-78.1/contact) +
2D Compatibility (PS) -26755 + (NN) -16194 + (LL) 48
1D Compatibility (HY) -21600 + (ID) 6100
Total energy: -223671.0 ( -114.18 by residue)
QMean score : 0.607
(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
: