Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAILETKGLKKTYQNHLVLDGINFTLNKGEVAVILGPSGCGKSTFLKCLNGLEKIDEGEILFENTNLNTPSTNWNQMRQKIGMVFQNYELFPHLNVLDNILLAPLKVQKRSKDEVLSQAVELLKRVGLEHKQQAYPKELSGGQKQRVAIVRSLCMRPKIMLFDEVTASLDPEMVKEVLEVILELAKTGMSMVIVTHEMKFAQKIASKIVFFDSGKIAEENSAKEFFNHPKSQRAQKFLETFHFLGSC
4U00 Chain:A ((3-239))
--PIIRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKD-DRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQRVLH----
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) -167657 for 1985 contacts (-84.5/contact) +
2D Compatibility (PS) -25790 + (NN) -13008 + (LL) 400
1D Compatibility (HY) -26400 + (ID) 5550
Total energy: -238005.0 ( -119.90 by residue)
QMean score : 0.598
(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
: