Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEHHIPKNSIITVAGTVGVGKSTLTKTLAKRLGFKTSLEE-------VDHNPYLEKFYHDFERWSFHLQIYFLAERFKEQKTIFEAGGGFVQD---------RSIYEDTGIFAKMHADKGTMSKVDYKTYTSLFEAMVMTPYFPHP---DVLIYLEGDLENILNRIEQRGREMELQTSRSYWEEMHTRYENWISGFNACPVLKLRIEDYDLLNDENSIENIVDQIASVIHDNQKK
2A30 Chain:A ((27-209))
-----------ISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCNVQSTNVLQMMYEKPERWSFTFQTYACLSRIRAQ---LASLNGKLKDAEKPVLFFERSVYSDRYIFASNLYESECMNETEWTIYQDWHDWM--NNQFGQSLELDGIIYLQATPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWL------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2A30.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -43421 for 1088 contacts (-39.9/contact) +
2D Compatibility (PS) -16972 + (NN) -3928 + (LL) 3988
1D Compatibility (HY) -10800 + (ID) 2500
Total energy: -73633.0 ( -67.68 by residue)
QMean score : 0.423
(partial model without unconserved sides chains):
PDB file :
Tito_2A30.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A30-query.scw
PDB file :
Tito_Scwrl_2A30.pdb
: