Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTETAEKVEYIIETKDVDLFYGSKQALQKIALNIKKNQVTALIGPSGCGKSTFLRTLNRMNDLIPNVKTTGEIHIGGENVQDPKIDMVNLRKKVGMVFQQANPFP-FSIYDNVAYGPRMHGIKDKKVLDEIVERSLRQAALWEEVHDRLDRSAIGMSGGQQQRLCIARVLAVKPDVILMDEPTSALDPISTAKVEDLILELKKD-YTIVIVTHNMQQASRISDETAFFLNGRIVEFADTTSIFTNPAEKETEDYISGRFG
4YMW Chain:J ((1-237))
-----------MIFVNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEE-----PTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLL----DKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLS----
General information:
TITO was launched using:
RESULT:
Template:
4YMW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105464 for 1939 contacts (-54.4/contact) +
2D Compatibility (PS) -25966 + (NN) -15929 + (LL) 1852
1D Compatibility (HY) -18800 + (ID) 4550
Total energy: -168857.0 ( -87.08 by residue)
QMean score : 0.458
(partial model without unconserved sides chains):
PDB file :
Tito_4YMW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMW-query.scw
PDB file :
Tito_Scwrl_4YMW.pdb
: