Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKMEQALNITSEIGKLQTVLVKRPGSELENITPEYLESLLFDDIPYLKMMQKEHDFFAKTMRDSNIEVLYLEKLAAEA--LREANNKESFLTKMIKESNQMDESAL--YVRDYLMSFDEEEMIRKLMSGLKKSEIPERKKKHLNEMMDEQYPFFLDPLPNLYFTRDPAAVIGNGVTINRMFQPARRRESIFIELILKHHPRFSNQDIPVWSGRGEPFSLEGGDELVLNEETVLVGVSERTDARAVERLAESL-FNRSPKIKRVLAVEIPETRSFMHLDTVFTMVNFAQFTIHPAIQNQQGELNIYILEKSENGLEITP------RRDFQRVIAEVLDEPEIDFIPCGGE-----DVIVSAREQWNDGANTLAIAPGEVITYDRNQVSNDLLRSAGIKVHEVISSELSRGRGGPRCMTMPLVRENLK |
4E4J Chain:K ((35-432)) | -----GINVYSEIGELKEVLVHTPGDEIRYTAPSRLEELLFSAVLKADTAIEEHKGFVKILQNNGIKVIQLCDLVAETYELCSKEVRNSFIEQYLDEALPVLKKEIRPVVKDYLLSFPTVQMVRKMMSGILANE--------LNIKQDN--PLIIDGMPNLYFTRDPFASMGNGVSINCMKYPTRKREVIFSRFVFTNNPKYKNTP-RYFDIVGNNGTIEGGDIFIYNSKTLVIGNSERTNFAAIESVAKNIQANKDCTFERIVVINVPPMPNLMHLDTWLTMLDYDKFLYSPNMMN--------VLKIWEIDLNVKPVKFVEKKGTLEEVLYSIIDKKPI-LIPIAGKGANQLDIDI---ETHFDGTNYLTIAPGVVVGYERNEKTQKALVEAGIKVLSFNGSQLSLGMGSARCMSMPLIRENLK |
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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) -156787 for 3290 contacts (-47.7/contact) +
2D Compatibility (PS) -41086 + (NN) -22130 + (LL) 2328
1D Compatibility (HY) -37600 + (ID) 7450
Total energy: -262725.0 ( -79.86 by residue)
QMean score : 0.448
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