Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | VALEDKDLRSIQEVRNLIESANKAQKELAAMSQQQIDTIVKAIADAGYGAREKLAKMAHEETGFGIWQDKVIKNVFASKHVYNYIKDM-KTIGM-LK-EDNEKKVMEVAVPLGVVAGLIPSTNPTSTVIYKTLISIKAGNSIVFSPHPNALKAILETVRIISEAAEKAGCPKGAISCMTVPTIQGTDQLMKHKDTAVILATGGSAMVKAAY----SSGTPAIGVGPGNGPAFIERSANIPRAVKHILDSKTFDNGTICASEQSVVVERVNKEAVIAEFRKQGA---------------HFLSDAEAVQLGKFILRPNGSMNPAI-VGKSVQHIANLAGLTVPADARVLIAEETKVGAKIP-YSREKLAPILAFYTAETWQEACELSMDILYHEGAGHTLIIHSEDKEIIREFALKKPVSRLLVNTPGALGGIGATTNLVPALTLGCG-AVGGSSSSDNIGPENLFNIRRIATGVLELEDIRKEENQATSELPVDADALIQSLVEKVLAELK |
| 3EK1 Chain:A ((61-502)) | --IGTVPSLSVATIKEAIDASAKALSGWAAKTAKERAGILRKWFDLIIANADDIALIMTSEQGKPLAEARG-EVLYAASFIEWFAEEAKRVYGDTIPAPQNGQRLTVIRQPVGVTAAITPWNFPAAMITRKAAPALAAGCTMIVRPADLTPLTALALGVLA----EKAGIPAGVLQIVTGKAREIGAELTSNDTVRKLSFTGSTEVGRLLMAQCAPTIKRISLELGGNAPFIVFDDADLDAAVDGAMVSKYRNAGQTCVCANRIYVQRGVYDKFAEKLAAKVKELKVGNGTEPGVVIGPMIEEKAITKVKAHIEDAVSK-GAKLITGGKE-----LGGLFFEPG---IL---TGVTSDMLVAKEETFGPLAPLFAFDTEEEVIAQAND----TIFGLAAYFYTENFSRAIRVSEALEYGMVGHNTGLI---------SNEVAPFGGVKQSGLGREGSKYGIEEYLETKYICSAY------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EK1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -121519 for 3729 contacts (-32.6/contact) +
2D Compatibility (PS) -45400 + (NN) -20243 + (LL) 6480
1D Compatibility (HY) -7600 + (ID) 3400
Total energy: -191682.0 ( -51.40 by residue)
QMean score : 0.459
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