Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKVIIITGGCQGLGRAMGEYLAGKGARLALVDLNRERLDEAVAACKAAGGDARAYVCNVADEEQVTHMVAQVASDFGAINGLVNNAGILRDGLTIKVKDGQL-SKMSLAQWQSVIDVNLTGVFLCTREVAAKMIELKNEGAIVNISSI-SRAGNMGQANYSAAKAGVAADTVVWAKELARYGIRVAGVAPGFIETEMTAGMKPEALEKMTAGIPLKRMGKPVEIAHSVAYIF----ENDYYTGRVLELDGGLRL
4NBW Chain:D ((5-253))
----KRVAIITGAANGIGRATALEFAQAGYHVVAWDLAEEAGAALIAEIADAGGSADFARVDVSAAESVEAAVAEIIAEHGRVDVLVNNAGILHDGQLVKVKGGEVVKKMAEAQFDAVISVNLKGVFLCTQAVAPHMIAAKY-GRILNASSVVGLYGNFGQTNYVAAKSGVIGMTKVWARELGRYGITVNAIAPGFIATEMVQQMPERVLEAMVARTPVGRIGDPVDIAR--AYLFLASEESGFISGTTLSVDGGM--
General information:
TITO was launched using:
RESULT:
Template:
4NBW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129507 for 2028 contacts (-63.9/contact) +
2D Compatibility (PS) -26151 + (NN) -6382 + (LL) 1112
1D Compatibility (HY) -20000 + (ID) 5750
Total energy: -186678.0 ( -92.05 by residue)
QMean score : 0.528
(partial model without unconserved sides chains):
PDB file :
Tito_4NBW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBW-query.scw
PDB file :
Tito_Scwrl_4NBW.pdb
: