Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFDCMEALGMGPRQLYDVTNRGACMLRKASPFYAGLDPFAWTGTASVRSVETQSTSSEEMVPSSPSPPPPPRVYKPCFVCQDKSSGYHYGVSSCEGCKGFFRRSIQKNMVYTCHRDKNCQINKVTRNRCQYCRLQKCFEVGMSKEAVRNDRNKKKKDVKDEVIPPESYELSGELEELVNKVSKAHQETFPSLCQLGKYTTNSSSDHRIQLDLGLWDKFSELSTKCIIKIVEFAKRLPGFTTLTIADQITLLKSACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFAGQLLPLEMDDTETGLLSAICLICGDRMDLEEPERVDRLQEPLLEALKIYARRRRPNKPHMFPRMLMKITDLRGISTKGAERAITLKMEIPGPMPPLIREMLENPEAFEDQSESTEKKPEPEPPAPPPPALLTMKKEQEDEDDSWATENGSEPSPEEEDDDDEDGEEERGTDSDGEAWGGQEPNADVSRKSHGGRAQ |
3A9E Chain:B ((25-263)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------SYTLTPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQDLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLE---------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A9E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -142223 for 1869 contacts (-76.1/contact) +
2D Compatibility (PS) -25750 + (NN) -19280 + (LL) 9292
1D Compatibility (HY) -33600 + (ID) 10100
Total energy: -221661.0 ( -118.60 by residue)
QMean score : 0.779
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