Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIVLAGTIGAGKSSLAAALGQHLGTDVFYEAVDNNPVLDLYYQDPKKYAFLLQIFFLNKRFQSIKEAYKANNNVLDRSIFEDELFLTLNYKNGNVTKTELDIYKELLANMLEELEGMPKKRP--DLLVYIDVSFDKMLERIDKRGRS---------FEQVDSNPELYDYYKQVHSEYPEWY--ENYDVSPKIRIDGNKLDFVKNPEDLQHVLDTIDSELQKLDLL
2JAQ Chain:A ((1-201))
MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLK------NIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLEN------KLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYE--EFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSI-----------------------
General information:
TITO was launched using:
RESULT:
Template:
2JAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75893 for 1291 contacts (-58.8/contact) +
2D Compatibility (PS) -18807 + (NN) -9935 + (LL) 2436
1D Compatibility (HY) -18000 + (ID) 3300
Total energy: -123499.0 ( -95.66 by residue)
QMean score : 0.545
(partial model without unconserved sides chains):
PDB file :
Tito_2JAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JAQ-query.scw
PDB file :
Tito_Scwrl_2JAQ.pdb
: