Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLETKDLNLFLGN-KHVLKNISLSIPVRGEIIGIMGPNGAGKSSLIKSLIGEFN-ATGTKLLYNKPIQ-------QQLQHITYIPQKAHIDLDFPISVEQVILSGCYKEIGWFRRPNKSARDKLKQLLSDLELESLRHRQISELSGGQLQRVLVARALMSESEVYFLDEPFVGIDFSSEKLIMTKIENLKQ-QGKLILIIHHDLSKAKQYFDRIILL-NQTLRYFGDSEEAMSVTRLNETFMSSTDCSDPSQRSNITC
3GFO Chain:A ((7-237))
ILKVEELNYNYSDGTHALKGINMNIK-RGEVTAILGGNGVGKSTLFQNFNGILKPSSGRILFDNKPIDYSRKGIMKLRESIGIVFQDPDN-QLFSASVYQDVSFGAVNMK----LPEDEIRKRVDNALKRTGIEHLKDKPTHCLSFGQKKRVAIAGVLVMEPKVLILDEPTAGLDPMGVSEIMKLLVEMQKELGITIIIATHDIDIVPLYCDNVFVMKEGRVILQGNPKEVFAEKEV---------------------
General information:
TITO was launched using:
RESULT:
Template:
3GFO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152309 for 1745 contacts (-87.3/contact) +
2D Compatibility (PS) -23376 + (NN) -5931 + (LL) 876
1D Compatibility (HY) -12800 + (ID) 3250
Total energy: -196790.0 ( -112.77 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_3GFO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GFO-query.scw
PDB file :
Tito_Scwrl_3GFO.pdb
: