Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNPQPEKVRVVVGDDHPLFREGVVRALSLSGSVNVVGEADDGAAALELIKAHLPDVALLDYRMPGMDGAQVAAAVRSYELPTRVLLISAHDEPAIVYQALQQGAAGFLLKDSTRTEIVKAVLDCAKGRDVVAPSLVGGLAGEIRQRAAPVAPV-LSAREREVLNRIACGQSIPAIAAELYVAPSTVKTHVQRLYEKLGVSDRAAAVAEAMRQRLLD
1RNL Chain:A ((4-215))
----EPATILLI--DDHPMLRTGVKQLISMAPDITVVGEASNGEQGIELAESLDPDLILLDLNMPGMNGLETLDKLREKSLSGRIVVFSVSNHEEDVVTALKRGADGYLLKDMEPEDLLKALHQAAAGEMVLSEALTPVLAASL----------QLTPRERDILKLIAQGLPNKMIARRLDITESTVKVHVKHMLKKMKLKSRVEAAVWVHQERIF-
General information:
TITO was launched using:
RESULT:
Template:
1RNL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110613 for 1607 contacts (-68.8/contact) +
2D Compatibility (PS) -21612 + (NN) -11873 + (LL) 760
1D Compatibility (HY) -16000 + (ID) 3500
Total energy: -162838.0 ( -101.33 by residue)
QMean score : 0.607
(partial model without unconserved sides chains):
PDB file :
Tito_1RNL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1RNL-query.scw
PDB file :
Tito_Scwrl_1RNL.pdb
: