Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIQLDQIGRMKQGKTILKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERV--IDVVISGAFKSIGVYQDIDDEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSD-SYPTLAMIYVTH---FIEEITGNFTKILLLKDGESVQQGLIDDILT--SENMSRFFQKNVAVQRWNNRFSMAMLE
4U00 Chain:A ((19-241))
----------------VLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDG-LSVKDDRALREIRREVGMV-------FQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALD---PEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVA---DRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQRV---------------
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) -120412 for 1703 contacts (-70.7/contact) +
2D Compatibility (PS) -23311 + (NN) -12065 + (LL) 3924
1D Compatibility (HY) -16400 + (ID) 3450
Total energy: -171714.0 ( -100.83 by residue)
QMean score : 0.413
(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
: