Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTQTHPIHVFSEIGKLKKVMLHRPGKEIENLMPDYLERLLFDDIPFLEDAQKEHDAFAQALRNEGVEVLYLENLAAES--LTNQEIREQFIDEYIGEA-NVRGRATKKAIRELLLNIKDNKELIEKTMAGIQKSELPEIPSSEKGLTDLVESNYPFAIDPMPNLYFTRDPFATIGNGVSLNHMFSETRNRETLYGKYIFTHHPEYGGKVPMVYE-REETTRIEGGDELVLSKDVLAVGISQRTDAASIEKLLVNI-FKQNLGFKKVLAFEFANNRKFMHLDTVFTMVDYDKFTIHPEIEGDLRVYSVTYENQDLHIEEEKGDLADLLAKNLGVEKVELIRCG-GDNLVAAGREQWNDGSNTLTIAPGVVIVYNRNTITNAILESKGLKLIKINGSELVRGRGGPRCMSMPFEREDL |
| 4E4J Chain:D ((36-431)) | ------INVYSEIGELKEVLVHTPGDEIRYTAPSRLEELLFSAVLKADTAIEEHKGFVKILQNNGIKVIQLCDLVAETYELCSKEVRNSFIEQYLDEALPVLKKEIRPVVKDYLLSFP-TVQMVRKMMSGILANELN------------IKQDNPLIIDGMPNLYFTRDPFASMGNGVSINCMKYPTRKREVIFSRFVFTNNPKYKN-TPRYFDIVGNNGTIEGGDIFIYNSKTLVIGNSERTNFAAIESVAKNIQANKDCTFERIVVINVPPMPNLMHLDTWLTMLDYDKFLYSPNMMNVLKIWEIDLNVKPVKFVEKKGTLEEVLYSIIDKKPILIPIAGKGANQLDIDIETHFDGTNYLTIAPGVVVGYERNEKTQKALVEAGIKVLSFNGSQLSLGMGSARCMSMPLIRENL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4E4J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -146031 for 3362 contacts (-43.4/contact) +
2D Compatibility (PS) -42722 + (NN) -19433 + (LL) 760
1D Compatibility (HY) -36400 + (ID) 7600
Total energy: -251426.0 ( -74.78 by residue)
QMean score : 0.509
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