Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTAVKHTTESTFAKLGVRDEIVRALGEEGIKRPFAIQELTLPLALDGEDVIGQARTGMGKTFAFGVPLLQRIT-SGDGTRPLTGAPRALVVVPTRELCLQVTDDLATAGKYLTAGPDTDDAAAVRRRLSVVSIYGGRPYEPQIEALRAGADVVVGTPGRLLDLCQQGHLQLGGLSVLVLDEADEMLDLGFLPDIERILRQIPADRQSMLFSATMPDPIITLARTFMVRPTHIRAEAPHSSAVHDATEQFVYRAHALDKVELVSRVLQARDRGATMIFTRTKRTAQKVADELTERGFAVGAVHGDLGQLAREKALKAFRTGGIDVLVATDVAARGIDIDDVTHVINYQCPEDEKMYVHRIGRTGRAGRTGVAVTLVDWDELPRWSMIDQALGLGSPDPAETYSNSPHLYAELAIPATAGGTVGPARKSQGRRRDTDCDGQKTAQHARNTPRRRRTRGGKPVTGHPGTNPISSPIVGGDATSEPGSGTASDSGSDVVSGSRSGNGEAARRRRRRRRRPTHAQDGFAARAN |
3MWK Chain:B ((3-203)) | -----------FKDFPLKPEILEALHGRGLTTPTPIEAAALPLALEGKDLIGQARTGTGKTLAFALPIAERLAPSQERGR----KPRALVLTPTRELALQVASELT----------------AVAPHLKVVAVYGGTGYGKQKEALLRGADAVVATPGRALDYLRQGVLDLSRVEVAVLDEADEMLSMGFEEEVEALLSATPPSRQTLLFSATLPSWAKRLAERYMKNPVLI-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MWK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -193450 for 1707 contacts (-113.3/contact) +
2D Compatibility (PS) -22056 + (NN) -10809 + (LL) 15684
1D Compatibility (HY) -17600 + (ID) 5050
Total energy: -233281.0 ( -136.66 by residue)
QMean score : 0.608
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