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:C ((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) -124654 for 1739 contacts (-71.7/contact) +
2D Compatibility (PS) -23200 + (NN) -14512 + (LL) 1904
1D Compatibility (HY) -21600 + (ID) 4800
Total energy: -186862.0 ( -107.45 by residue)
QMean score : 0.517
(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
: