Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKIAFVFPGQGAQKVGMGQDVAAEYPEAKKIYDDADERLGFSITEIITEGPIELLTKSENAQPALVSTSVAILRALETYGVKADYVAGHSLGEYSALVAGGFLEASDAIYLVRKRGELMEAAVPNGAGAMAAVLGVDRETLKTITEEVTKEGDAVQLANLNCPGQIVISGTTAGVEKAGEKAKESGAKRVLPLAVSGPFHSSLMEPAALAFRDVLAEVKISDGQIPVVNNVDAKETTDKSEISDKLIKQIYSPVLWEDIVEELIKNGVDTFVEIGSGKVLAGLIKKINRDVTVLSAGDAESVKSVAATLKGE |
3PTW Chain:A ((2-308)) | -AKLGFLFAGQGAQYVGMGKEFFDNFEESKEVFKRSSEALGIDMEELCFNDPEGLLNKTEFTQPAIITTNMAILTALDKLGVKSHISCGLSLGEYSALIHSGAINFEDGVKLVKKRGKFMQEAVAEGIGGMVAVLRMTPEQVDEIIEKSS-PYGIVEGANYNSPGQIVISGELVALEKAMEFIKEVGG-RAIKLPVSAPFHCSMLQPAAEKLEDELNKISINKLNGIVMSNVKGEAYLEDDNIIELLTSQVKKPVLFINDIEKMIESGVDTFIEIGPGKALSGFVKKINKNVTVLNVEDLKSLEKTLSKL--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PTW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191548 for 2823 contacts (-67.9/contact) +
2D Compatibility (PS) -34035 + (NN) -16327 + (LL) 332
1D Compatibility (HY) -27200 + (ID) 6500
Total energy: -275278.0 ( -97.51 by residue)
QMean score : 0.617
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