Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAAGRLFLSRLRAPFSSMAKSPLEGVSSSRGLHAGRGPRRLSIEGNIAVGKSTFVKLLTKTYPEWHVATEPVATWQNIQAAGTQKACTAQSLGNLLDMMYREPARWSYTFQTFSFLSRLKVQLEPFPEKLLQARKPVQIFERSVYSDRYIFAKNLFENGSLSDIEWHIYQDWHSFLLWEFASRITLHGFIYLQASPQVCLKRLYQRAREEEKGIELAYLEQLHGQHEAWLIHKTTKLHFEALMNIPVLVLDVNDDFSEEVTKQEDLMREVNTFVKNL
4JLK Chain:A ((40-280))
------------------------------------RIKKISIEGNIAAGKSTFVNILKQLSEDWEVVPEPVARWSN-------LTMEQKNGGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSVYSDRYIFASNLYESESMNETEWTIYQDWHDWMNN--GQSLELDGIIYLQATPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEVPILTLDVNEDFKD---KYESLVEKVKEFLSTL
General information:
TITO was launched using:
RESULT:
Template:
4JLK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128428 for 1784 contacts (-72.0/contact) +
2D Compatibility (PS) -23498 + (NN) -1898 + (LL) 3216
1D Compatibility (HY) -25600 + (ID) 5950
Total energy: -182158.0 ( -102.11 by residue)
QMean score : 0.455
(partial model without unconserved sides chains):
PDB file :
Tito_4JLK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JLK-query.scw
PDB file :
Tito_Scwrl_4JLK.pdb
: