Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHESIEKNLNFVKKLNNVNDSVLKIENLALAYDNKKVLDGINISIEKGDIVTILGPNGGGKTSLMKVVAGISKNYTGSVIFAD---------NIKISYMPQNFSISKLMPITVEYFLLNSFSKKL---KKNQSVITEVIELVGIGSILKNQVLEISAGQMQLLLLAHCLIAEPDLIILDEPVSAMDINARAKFYDIIGEIAKKRLISILMTSHDLSSIVPCSDYIICIN-HTIYCQGKPGKIMEDRTLGEIFSSYIAK
3RLF Chain:A ((2-225))
---------------------ASVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYA--LYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSP
General information:
TITO was launched using:
RESULT:
Template:
3RLF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -220749 for 1653 contacts (-133.5/contact) +
2D Compatibility (PS) -22994 + (NN) -9995 + (LL) 1368
1D Compatibility (HY) -13600 + (ID) 2300
Total energy: -268270.0 ( -162.29 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_3RLF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RLF-query.scw
PDB file :
Tito_Scwrl_3RLF.pdb
: