Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNRQPIVQLSNLSWTFREGETRRQVLDHITFDFEPGEFVALLGQSGSGKSTLLNLISGIEKPTTGDVTINGFAITQKTERDRTLFR-RDQIGIVFQFFNLIPTLTVLENITL-PQELAGVSQRKAAVVARDLLEKVGMADRERTFPDKLSGGEQQRVAISRALAHNPMLVLADEPTGNLDSDTGDKVLDVLLDLTRQAGKTLIMATHSPSMTQH-ADRVVNLQGGRLIPAVNRENQTDQPASTILLPTSYE
4U00 Chain:A ((3-217))
----PIIRIRNLHKWF----GPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKD----DRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLA-QGGMTMVVVTHEMGFAREVADRVVFMDGGQIV-----------------------
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) -119693 for 1722 contacts (-69.5/contact) +
2D Compatibility (PS) -23303 + (NN) -12715 + (LL) 2024
1D Compatibility (HY) -21600 + (ID) 4800
Total energy: -180087.0 ( -104.58 by residue)
QMean score : 0.541
(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
: