Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIVLAGTIGAGKSSLAAALGQHLGTDVFYEAVDNNPVLDLYYQDPKKYAFLLQIFFLNKRFQSIKEAYKANNNVLDRSIFEDELFLTLNYKNGNVTKTELDIYKELLANML---EELEGMPKKRPDLLVYIDVSFDKMLERIDKRGRSFEQVDSNPELYDYYKQVHSEYPEWYENY-DVSPKIRIDGNKLDFVKNPEDLQHVLDTIDSELQKLDLL
2JAQ Chain:A ((1-201))
MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLK------NIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLEN-------KLSFDIVIYLRVSTKTAISRIKKRGRSEEL---LI-GEEYWETLNKNYEEFYKQNVYDFPFFVVDAEL-DVKT---QIELIMNKLNSI-------
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) -95054 for 1413 contacts (-67.3/contact) +
2D Compatibility (PS) -20122 + (NN) -13839 + (LL) 1916
1D Compatibility (HY) -16800 + (ID) 3100
Total energy: -146999.0 ( -104.03 by residue)
QMean score : 0.574
(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
: