Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAPKRSSDLFSQVVNSGPGSFLARQLGVPQPETLRRYRAGEPPLTGSLLIGGAGRVVEPLRAALEKDYDLVGNNLGGRWADSFGGLVFDATGITEPAGLKGLHEFFTPVLRNLGRCGRVVVVGGTPEAAASTNERIAQRALEGFTRSLGKELRRGATTALVYLSPDAKPAATGLESTMRFLLSAKSAYVDGQVFSVGADDSTPPADWEK-PLDGKVAIVTGAARGIGATIAEVFARDGAHVVAIDVE-SAAENLAET--ASKVGGTALWLDVTADDAVDKISEHLRDHHGGKADILVNNAGITRDKLLANMDDARWDAVLAVNLLAPLRLTEGLVGNGSIGEGGRVIGLSSIAGIAGNRGQTNYATTKAGMIGITQALAPGLAAKGITINAVAPGFIETQMTAAIPLATREVGRRLNSLLQGGQPVDVAEAIAYFASPASNAVTGNVIRVCGQAMIGA |
4BNV Chain:B ((23-264)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLG-QPLIVVNNAGI------------EWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVG-----GQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNG------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BNV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139287 for 1875 contacts (-74.3/contact) +
2D Compatibility (PS) -23423 + (NN) -4576 + (LL) 11692
1D Compatibility (HY) -15200 + (ID) 4900
Total energy: -175694.0 ( -93.70 by residue)
QMean score : 0.578
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