Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIVLAGTIGAGKSSLAAALGQHLGTDVFYEAVDNNPVLDLYYQDPKKYAFLLQIFFLNKRFQSIKEAYKANNNVLDRSIFEDELFLTLNYKNGNVTKTELDIYKELLANMLEELEGMPKKRP--DLLVYIDVSFDKMLERIDKRGRS---------FEQVDSNPELYDYYKQVHSEYPEWY--ENYDVSPKIRIDGNKLDFVKNPEDLQHVLDTIDSELQKLDLL
2JAS Chain:F ((2-201))
MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLEN--------SFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYE--EFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNS------------------------
General information:
TITO was launched using:
RESULT:
Template:
2JAS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58243 for 1282 contacts (-45.4/contact) +
2D Compatibility (PS) -19309 + (NN) -9369 + (LL) 2120
1D Compatibility (HY) -17200 + (ID) 3350
Total energy: -105351.0 ( -82.18 by residue)
QMean score : 0.506
(partial model without unconserved sides chains):
PDB file :
Tito_2JAS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JAS-query.scw
PDB file :
Tito_Scwrl_2JAS.pdb
: