Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTAVKHTTESTFAKLGVRDEIVRALGEEGIKRPFAIQELTLPLALDGEDVIGQARTGMGKTFAFGVPLLQRITSGDGTRPLTGAPR---ALVVVPTRELCLQVTDDLATAGKYLTAGPDTDDAAAVRRRLSVVSIYGGRPYEPQIEALRAGADVVVGTPGRLLDLCQQGH-LQLGGLSVLVLDEADEMLDLGFLPDIERILRQIPADRQSMLFSATMPDPIITLARTFMVRPTHIRAEAPHSSAVHDATEQFVYRAHALDKVELVSRVLQARDRGATMIFTRTKRTAQKVADELTERGFAVGAVHGDLGQLAREKALKAFRTGGIDVLVATDVAARGIDIDDVTHVINYQCPEDEKMYVHRIGRTGRAGRTGVAVTLVDWDELPRWSMIDQALGLGSPDPAETYSNSPHLYAELAIPATAGGTVGPARKSQGRRRDTDCDGQKTAQHARNTPRRRRTRGGKPVTGHPGTNPISSPIVGGDATSEPGSGTASDSGSDVVSGSRSGNGEAARRRRRRRRRPTHAQDGFAARAN |
3BER Chain:A ((37-242)) | ---VEEEETKTFKDLGVTDVLCEACDQLGWTKPTKIQIEAIPLALQGRDIIGLAETGSGKTGAFALPIL---------NALLETPQRLFALVLTPTRELAFQISEQFEALGSSIGV------QSAV--------IVGGIDSMSQSLALAKKPHIIIATPGRLIDHLENTKGFNLRALKYLVMDEADRILNMDFETEVDKILKVIPRDRKTFLFSATMTKKVQKLQRAALKNP----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BER.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -173457 for 1652 contacts (-105.0/contact) +
2D Compatibility (PS) -21611 + (NN) -3081 + (LL) 15580
1D Compatibility (HY) -18000 + (ID) 4050
Total energy: -204619.0 ( -123.86 by residue)
QMean score : 0.566
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