Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTSTSIPTFPFDRPVPTEPSPMLSELRNSCPVAPIELPSGHTAWLVTRFDDVKGVLSDKRFSCRAAAHPSSPPFV--PFVQLCPSLLSIDGP--QHTAARRLLAQGLNPGFIARMRPVVQQIVDNALDDLAAAEPPVDFQEIVSVPIGEQLMAKLLGVEPKTVHELAAHVDAAMSVCEIGDEEVS-RRWSALCTMVIDILHRKLAEPGDDLLSTIAQANRQQSTMTDEQVVGMLLTVVIGGVDTPIAVITNGLASLLHHRDQYERLVEDPGRVARAVEEIVRFNPAT-EIEHLRVVTEDVVIAGTALSAGSPAFTSITSANRDSDQFLDPDEFDVERNPNEHIAFGYGPHACPASAYSRMCLTTFFTSLTQRFPQLQLARPFEDLERRGKGLHSVGIKELLVTWPT |
2XBK Chain:A ((15-404)) | -----LPCLNLEPPKMLKLSPLLRALQDRGPIHRVRTPAGDEAWLVTRHAELKQLLHDERIGRTHPDPPSAAQYVRSPFLDLLISDADAESGRRQHAETRRLLTPLFSARRVLEMQPKVEEAADTLLDAFIAQGPPGDLHGELTVPFALTVLCEVIGVPPQRRAELTTLL---AGIAKLDDREGAVRAQDDLFGYVAGLVEHKRAEPGPDIISRL-----NDGELTEDRVAHLAMGLLFAGLDSVASIMDNGVVLLAAHPDQRAAALADPDVMARAVEEVLRTARAGGSVLPPRYASEDMEFGGVTIRAGDLVLFDLGLPNFDERAFTGPEEFDAARTPNPHLTFGHGIWHCIGAPLARLELRTMFTKLFTRLPELRPELPVEQL-RLKEGQLSGGFAELRVVW-- |
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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) -280714 for 3185 contacts (-88.1/contact) +
2D Compatibility (PS) -40682 + (NN) -23419 + (LL) 912
1D Compatibility (HY) -22000 + (ID) 6100
Total energy: -372003.0 ( -116.80 by residue)
QMean score : 0.509
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