Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLETKDLNLFLGNKHVLKNISLSIPVRGEIIGIMGPNGAGKSSLIKSLIGEFNAT-GTKLLYNKPI---QQQLQHITYIPQKAHIDLDFPISVEQVILSGCYKEIGWFRRPNKSARDK--LKQLLSDLELESLRHRQISELSGGQLQRVLVARALM------SESEVYFLDEPFVGIDFSSEKLIMTKIENLKQQGKL-ILIIHHDLSKAKQYFDRIILLNQ-TLRYFGDSEEAMSVTRLNETFMSSTDCSDPSQRSNITC
4G1U Chain:C ((11-252))
LLEASHLHYHVQQQALINDVSLHI-ASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPKALARTRAVMRQYSELAFPFSVSEVIQMG--------RAPYGGSQDRQALQQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLNAETLTQWYQADLGVS----------
General information:
TITO was launched using:
RESULT:
Template:
4G1U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140742 for 1740 contacts (-80.9/contact) +
2D Compatibility (PS) -24256 + (NN) -11502 + (LL) 676
1D Compatibility (HY) -16400 + (ID) 3750
Total energy: -195974.0 ( -112.63 by residue)
QMean score : 0.519
(partial model without unconserved sides chains):
PDB file :
Tito_4G1U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G1U-query.scw
PDB file :
Tito_Scwrl_4G1U.pdb
: