Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTETAEKVEYIIETKDVDLFYGSKQALQKIALNIKKNQVTALIGPSGCGKSTFLRTLNRMNDLIPNVKTTGEIHIGGENVQDPKIDMVNLRKKVGMVFQQANPFP-FSIYDNVAYGP----RMHGIKDKKVLDEIVERSLRQAALWEEVHDRLDRSAIGMSGGQQQRLCIARVLAVKPDVILMDEPTSALDPISTAKVEDLILELKK-DYTIVIVTHNMQQASRISDETAFFLNGRIVEFADTTSIFTNPAEKETEDYISGRFG
4U00 Chain:A ((3-239))
----------PIIRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDF-----QEGEVVVDGLSVKDDRA-LREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERV--------GILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQ----
General information:
TITO was launched using:
RESULT:
Template:
4U00.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121808 for 1921 contacts (-63.4/contact) +
2D Compatibility (PS) -25121 + (NN) -11177 + (LL) 2248
1D Compatibility (HY) -18800 + (ID) 4550
Total energy: -179208.0 ( -93.29 by residue)
QMean score : 0.501
(partial model without unconserved sides chains):
PDB file :
Tito_4U00.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U00-query.scw
PDB file :
Tito_Scwrl_4U00.pdb
: