Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGWRLLLTRPDEECAALAASLGEAGVHSSSLPLLAIDPLEETPEQRTLMLDLDRYCAVVVVSKPAARLGLERLDRYWPQPPQQTWCSVGAATAAILEAYGLDVTYPEQGDDSEALLALPAFQDSLRVHDPKVLIMRGEGGREFLAERLRGQGVQVDYLPLYRRRAPDYPAGELLARVRAERLNGLVVSSGQGLQNLYQLAAADWPEIGRLPLFVPSPRVAEMARELGAQRVIDCRGASAPALLAALTSAA
3RE1 Chain:A ((4-237))
---WRLLLTRPAEESAALARVLADAGIFSSSLPLLETEPLPLTPAQRSIIFELLNYSAVIVVSKPAARLAIELIDEVWPQPPMQPWFSVGSATGQILLDYGLDASWP-------ALLDHPRLKQAIAVPGSRVLIMRGNEGRELLAEQLRERGVGVDYLPLYRRYLPQHAPGTLLQRVEVERLNGLVVSSGQGFEHLLQLAGDSWPDLAGLPLFVPSPRVASLAQAAGARNVIDCRG--------------
General information:
TITO was launched using:
RESULT:
Template:
3RE1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -184975 for 1742 contacts (-106.2/contact) +
2D Compatibility (PS) -25217 + (NN) -15993 + (LL) 1376
1D Compatibility (HY) -26400 + (ID) 6950
Total energy: -258159.0 ( -148.20 by residue)
QMean score : 0.671
(partial model without unconserved sides chains):
PDB file :
Tito_3RE1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RE1-query.scw
PDB file :
Tito_Scwrl_3RE1.pdb
: