Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAAGRLFLSRLRAPFSSMAKSPLEGVSSSRGLHAGRGPRRLSIEGNIAVGKSTFVKLLTKTYPEWHVATEPVATWQNIQAAGTQKACTAQSLGNLLDMMYREPARWSYTFQTFSFLSRLKVQLEPFPEKLLQARKPVQIFERSVYSDRYIFAKNLFENGSLSDIEWHIYQDWHSFLLWEFASRITLHGFIYLQASPQVCLKRLYQRAREEEKGIELAYLEQLHGQHEAWLIHKTTKLHFEALMNIPVLVLDVNDDFSEEVTKQEDLMREVNTFVKNL
2QRO Chain:A ((40-280))
------------------------------------RIKKISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCNVQS----------NGGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSVYSDRYIFASNLYESECMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQATPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEVPILTLDVNEDFKD---KYESLVEKVKEFLSTL
General information:
TITO was launched using:
RESULT:
Template:
2QRO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131346 for 1785 contacts (-73.6/contact) +
2D Compatibility (PS) -23780 + (NN) -2999 + (LL) 3092
1D Compatibility (HY) -26800 + (ID) 6000
Total energy: -187833.0 ( -105.23 by residue)
QMean score : 0.385
(partial model without unconserved sides chains):
PDB file :
Tito_2QRO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2QRO-query.scw
PDB file :
Tito_Scwrl_2QRO.pdb
: