Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNRQPIVQLSNLSWTFREGETRRQVLDHITFDFEPGEFVALLGQSGSGKSTLLNLISGIEKPTTGDVTINGFAITQKTERDRTLFR-RDQIGIVFQFFNLIPTLTVLENITL-PQELAGVSQRKAAVVARDLLEKVGMADRERTFPDKLSGGEQQRVAISRALAHNPMLVLADEPTGNLDSDTGDKVLDVLLDLTRQAGKTLIMATHSPSMTQH-ADRVVNLQGGRLIPAVNRENQTDQPASTILLPTSYE
4U02 Chain:A ((2-217))
---EPIIRIRNLHKWF----GPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKD----DRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLA-QGGMTMVVVTHEMGFAREVADRVVFMDGGQIV-----------------------
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) -119871 for 1753 contacts (-68.4/contact) +
2D Compatibility (PS) -23357 + (NN) -13297 + (LL) 1904
1D Compatibility (HY) -21600 + (ID) 4800
Total energy: -181021.0 ( -103.26 by residue)
QMean score : 0.541
(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
: