Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAILETKGLKKTYQNHLVLDGINFTLNKGEVAVILGPSGCGKSTFLKCLNGLEKIDEGEILFENTNLNTPSTNWNQMRQKIGMVFQNYELFPHLNVLDNILLAPLKVQKRSKDEVLSQAVELLKRVGLEHKQQAYPKELSGGQKQRVAIVRSLCMRPKIMLFDEVTASLDPEMVKEVLEVILELAKTGMSMVIVTHEMKFAQKIASKIVFFDSGKIAEENSAKEFFNHPKSQRAQKFLETFHFLGSC
4U02 Chain:C ((1-239))
MEPIIRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKD-DRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQRVLH----
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) -171884 for 2001 contacts (-85.9/contact) +
2D Compatibility (PS) -25862 + (NN) -12130 + (LL) 220
1D Compatibility (HY) -26800 + (ID) 5600
Total energy: -242056.0 ( -120.97 by residue)
QMean score : 0.590
(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
: