Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -----MTYIEILGQNAKKASQSVARLSTASKNEILRDLARNIVADTETILTENARDVAKAKDNGISEIMVDRLRLNKDRIQAIANGIYQVADLADPIGQVVSGYTNLDGLKILKKRVPLGVIAMIFESRPNVSVDAFS--LAFKTGNAIILRGGKDAIFSNTALVNCMRQTLQDTGHNPDIVQLVEDTSHVVAEELMQATDYVDVLIPRGGAKLIQTVKEKSKIPVIETGVGNVHIYIDEFADLDMAAKIVINAKTQRP-SVCNAAEGLVVHQAIAKGFLSQLEK-----MLKESNQSVEFRADEE------------ALQLLENA---------VAASE-------SDYATEFLDYIMSVKVVDSFEQAISWINKYSSH----HSEAIITNNISRAEIFQDMVDAAAVYVNASTRFT---------DGFVFGLGAEIGISTQKLHARGPMGLEALTSTKYYINGTGQVRE-- |
3K9D Chain:A ((3-456)) | LEDKDLRSIQEVRNLIESANKAQKELAAMS-QQQIDTIVKAIADAGYGAREKLAKMAHEETGFGIWQDKVIKNVFASKHVYNYIKDM-----------KTIGMLKEDNEKKVMEVAVPLGVVAGLIPSTNPTSTVIYKTLISIKAGNSIVFSPHPNALKAILETVRIISEAAEKAGCPKGAISCMTVPTIQGTDQLMKHKD-TAVILATGGSAMVKAAYS-SGTPAIGVGPGNGPAFIERSANIPRAVKHILDSKTFDNGTICASEQSVVVERVNKEAVIAEFRKQGAHFLSDAEAVQLGKFILRPNGSMNPAIVGKSVQHIANLAGLTVPADARVLIAEETKVGAKIPYSREKLAPILAFYTAETWQEACELSMDILYHEGAGHTLIIHSEDKEIIREFALKKPVSRLLVNTPGALGGIGATTNLVPALTLGCGAVGGSSSSDN-----IGPENLFNIRRIATGVLELEDIR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K9D.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -184544 for 3462 contacts (-53.3/contact) +
2D Compatibility (PS) -43840 + (NN) -22151 + (LL) 804
1D Compatibility (HY) -11200 + (ID) 3500
Total energy: -264431.0 ( -76.38 by residue)
QMean score : 0.448
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