Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAPKRSSDLFSQVVNSGPGSFLARQLGVPQPETLRRYRAGEPPLTGSLLIGGAGRVVEPLRAALEKDYDLVGNNLGGRWADSFGGLVFDATGITEPAGLKGLHEFFTPVLRNLGRCGRVVVVGGTPEAAASTNERIAQRALEGFTRSLGKELRRGATTALVYLSPDAKPAATGLESTMRFLLSAKSAYVDGQVFSVGADDSTPPADWEKPLDGKVAIVTGAARGIGATIAEVFARDGAHVVAIDV-ESAAENLAETASKVGGTALWLDVTADDAVDKISEHLRDHHGGKADILVNNAGITRDKLLANMDDARWDAVLAVNLLAPLRLTEGLVGNGSIGEGGRVIGLSSIAGIAGNRGQTNYATTKAGMIGITQALAPGLAAKGITINAVAPGFIETQMTAAI-------PLATREVGRRLNSLLQGGQPVDVAEAIAYFASPASNAVTGNVIRVCGQAMIGA |
3RRO Chain:B ((10-246)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDYLGD-NGKGMALNVTNPESIEAVLKAITDEFGG-VDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVGSVVGTMGNAGQANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTKALNDEQRTATLAQVPAGRL-------GDPREIASAVAFLASPEAAYITGETLHVNG------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3RRO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -127808 for 1982 contacts (-64.5/contact) +
2D Compatibility (PS) -24396 + (NN) -2581 + (LL) 11396
1D Compatibility (HY) -18400 + (ID) 5000
Total energy: -166789.0 ( -84.15 by residue)
QMean score : 0.537
|
|
|