Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTETAEKVEYIIETKDVDLFYGSKQALQKIALNIKKNQVTALIGPSGCGKSTFLRTLNRMNDLIPNVKTTGEIHIGGENVQDPKIDMVNLRKKVGMVFQQANPFP-FSIYDNVAYGP----RMHGIKDKKVLDEIVERSLRQAALWEEVHDRLDRSAIGMSGGQQQRLCIARVLAVKPDVILMDEPTSALDPISTAKVEDLILELKK-DYTIVIVTHNMQQASRISDETAFFLNGRIVEFADTTSIFTNPAEKETEDYISGRFG
4U02 Chain:D ((2-239))
---------EPIIRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDF-----QEGEVVVDGLSVKDDRA-LREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERV--------GILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQ----
General information:
TITO was launched using:
RESULT:
Template:
4U02.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117070 for 1945 contacts (-60.2/contact) +
2D Compatibility (PS) -25123 + (NN) -8361 + (LL) 2144
1D Compatibility (HY) -18800 + (ID) 4600
Total energy: -171810.0 ( -88.33 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_4U02.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U02-query.scw
PDB file :
Tito_Scwrl_4U02.pdb
: