Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGWRLLLTRPDEECAALAASLGEAGVHSSSLPLLAIDPLEETPEQRTLMLDLDRYCAVVVVSKPAARLGLERLDRYWPQPPQQTWCSVGAATAAILEAYGL-DVTYPEQGDDSEALLALPAFQDSLRVHDPKVLIMRGEGGREFLAERLRGQGVQVDYLPLYRRRAPDYPAGELLARVRAERLNGLVVSSGQGLQNLYQLAAADWPEIGRLPLFVPSPRVAEMARELGAQRVIDCRGASAPALLAALTSAA
3RE1 Chain:A ((2-250))
-SAWRLLLTRPAEESAALARVLADAGIFSSSLPLLETEPLPLTPAQRSIIFELLNYSAVIVVSKPAARLAIELIDEVWPQPPMQPWFSVGSATGQILLDYGLDASWP--------ALLDHPRLKQAIAVPGSRVLIMRGNEGRELLAEQLRERGVGVDYLPLYRRYLPQHAPGTLLQRVEVERLNGLVVSSGQGFEHLLQLAGDSWPDLAGLPLFVPSPRVASLAQAAGARNVIDCRGASAAALLAALRDQ-
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) -204366 for 1881 contacts (-108.6/contact) +
2D Compatibility (PS) -26881 + (NN) -17512 + (LL) 188
1D Compatibility (HY) -26800 + (ID) 7350
Total energy: -282721.0 ( -150.30 by residue)
QMean score : 0.658
(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
: