Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTSTSIPTFPFDRPVPTEPSPMLSELRNSCPVAPIELPSGHTAWLVTRFDDVKGVLSDKRFSCRAAAHPSSPPFVPFVQLCPSLLS-----IDGPQHTAARRLLAQGLNPGFIARMRPVVQQIVDNALDDLAAAEPPVDFQEIVSVPIGEQLMAKLLGVEPKTVHELAAHVDAAMSVCEIGDEEVSRRWSALCTMVIDILHRKLAEPGDDLLSTIAQANRQQSTMTDEQVVGMLLTVVIGGVDTPIAVITNGLASLLHHRDQYERLVEDPGRVARAVEEIVRFNPATEI-EHLRVVTEDVVIAGTALSAGSPAFTSITSANRDSDQFLDPDEFDVERNPNEHIAFGYGPHACPASAYSRMCLTTFFTSLTQRFPQLQLARPFEDLERRGKGLHSVGIKELLVTWPT |
2XBK Chain:A ((14-404)) | ----DLPCLNLEPPKMLKLSPLLRALQDRGPIHRVRTPAGDEAWLVTRHAELKQLLHDERIGRTHPDPPSAAQYV-RSPFLDLLISDADAESGRRQHAETRRLLTPLFSARRVLEMQPKVEEAADTLLDAFIAQGPPGDLHGELTVPFALTVLCEVIGVPPQRRAELTTLLAGIAKL-D-DREGAVRAQDDLFGYVAGLVEHKRAEPGPDIISRLNDG-----ELTEDRVAHLAMGLLFAGLDSVASIMDNGVVLLAAHPDQRAAALADPDVMARAVEEVLRTARAGGSVLPPRYASEDMEFGGVTIRAGDLVLFDLGLPNFDERAFTGPEEFDAARTPNPHLTFGHGIWHCIGAPLARLELRTMFTKLFTRLPELRPELPVEQLRLKE-GQLSGGFAELRVVW-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XBK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -282078 for 3200 contacts (-88.1/contact) +
2D Compatibility (PS) -40793 + (NN) -21538 + (LL) 612
1D Compatibility (HY) -21200 + (ID) 5900
Total energy: -370897.0 ( -115.91 by residue)
QMean score : 0.501
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