Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFDCMEALGMGPRQLYDVTNRGACMLRKASPFYAGLDPFAWTGTASVRSVETQSTSSEEMVPSSPSPPPPPRVYKPCFVCQDKSSGYHYGVSSCEGCKGFFRRSIQKNMVYTCHRDKNCQINKVTRNRCQYCRLQKCFEVGMSKEAVRNDRNKKKKDVKDEVIPPESYELSGELEELVNKVSKAHQETFPSLCQLGKYTTNSSSDHRIQLDLGLWDKFSELSTKCIIKIVEFAKRLPGFTTLTIADQITLLKSACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFAGQLLPLEMDDTETGLLSAICLICGDRMDLEEPERVDRLQEPLLEALKIYARRRRPNKPHMFPRMLMKITDLRGISTKGAERAITLKMEIPGPMPPLIREMLENPEAFEDQSESTEKKPEPEPPAPPPPALLTMKKEQEDEDDSWATENGSEPSPEEEDDDDEDGEEERGTDSDGEAWGGQEPNADVSRKSHGGRAQ |
4JYG Chain:B ((22-261)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------ESYEMTAELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLEMDDTETGLLSAICLICGDRQDLEEPTKVDKLQEPLLEALKIYIRKRRPSKPHMFPKILMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMME---------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JYG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -137575 for 1852 contacts (-74.3/contact) +
2D Compatibility (PS) -25892 + (NN) -19406 + (LL) 9188
1D Compatibility (HY) -33600 + (ID) 10350
Total energy: -217635.0 ( -117.51 by residue)
QMean score : 0.784
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