Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNPQPEKVRVVVGDDHPLFREGVVRALSLSGSVNVVGEADDGAAALELIKAHLPDVALLDYRMPGMDGAQVAAAVRSYELPTRVLLISAHDEPAIVYQALQQGAAGFLLKDSTRTEIVKAVLDCAKGRDVVAPSLVGGLAGEIRQRAAPVAPVLSAREREVLNRIACGQSIPAIAAELYVAPSTVKTHVQRLYEKLGVSDRAAAVAEAMRQRLLD
4YN8 Chain:A ((4-203))
------GSIRVMLIDDHPVVRAGLRSILDSFDDITVVAEASDGS----NINTKGIDVVVTDIQMPGTDGITLTRALANAG-GPPVLILTTYDTEADILAAVEAGAMGYLLKDAPESALHDAVVATFEGRRTLAPEVANAL----MQRVSKPRQALSAREIEILQNLEQGLSNRQLAAKLFISEATVKTHLVHIYSKLGVDNRTAAITAARQQRLI-
General information:
TITO was launched using:
RESULT:
Template:
4YN8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127388 for 1527 contacts (-83.4/contact) +
2D Compatibility (PS) -21661 + (NN) -10111 + (LL) 888
1D Compatibility (HY) -13600 + (ID) 3750
Total energy: -175622.0 ( -115.01 by residue)
QMean score : 0.631
(partial model without unconserved sides chains):
PDB file :
Tito_4YN8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YN8-query.scw
PDB file :
Tito_Scwrl_4YN8.pdb
: