Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---MSLFDFFKNKGSAATATDRLKLILAKERTLNLPYMEEMRKEIIAVIQKYTKSSDIHFKTLDGNQSVETIEVEIILPK-
1ITP Chain:A ((1-77))
GSAGKFIVIFKNDVSEDKIRETKDEVIAEGGTITNEYNM---PGMKGFAGELTPQSLTKFQGLQGDL-IDSIEEDGIVTTQ
General information:
TITO was launched using:
RESULT:
Template:
1ITP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -9782 for 489 contacts (-20.0/contact) +
2D Compatibility (PS) -7914 + (NN) -699 + (LL) 384
1D Compatibility (HY) -2800 + (ID) 750
Total energy: -21561.0 ( -44.09 by residue)
QMean score : 0.224
(partial model without unconserved sides chains):
PDB file :
Tito_1ITP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1ITP-query.scw
PDB file :
Tito_Scwrl_1ITP.pdb
: