Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSALITLTNLGFAWPGQAELLDIPSFHLERGESLFLKGPSGSGKTTLLGLLGGVQKPGRGSIRLLGEDLEKLSAARRDHFRVDHTGYIFQQFNLLPF-LSVRENVELPCHFSALRRQRARERHGSPAQAASHLLGQLGLGGELHERRADSLSIGQQQRVAAARAL--IGQPE----LVIADEPTSALDADSREAFLQLLFAECREAGASLLFVSHDQSLAGLF-DRSLSLSDLNRAARPAGL
4G1U Chain:D ((10-222))
--ALLEASHLHYHVQQQALINDV-SLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPK-----ALARTRAVMRQYSELAFPFSVSEVIQM---------GRAPYGGSQDRQALQQVMAQTDCLA-LAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLA-----------
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) -108409 for 1568 contacts (-69.1/contact) +
2D Compatibility (PS) -22233 + (NN) -10101 + (LL) 1544
1D Compatibility (HY) -18000 + (ID) 3700
Total energy: -160899.0 ( -102.61 by residue)
QMean score : 0.487
(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
: