Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRRRRRRDGFYPAPDFRDREAEDMAGVFDIDLDQPEDAGSEDELEEGGQLNESMDHGGVGPYELGMEHCEKFEISETSVNRGPEKIRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNAKDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLER-EGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHDGTVTHTF-CGTIEYMAPEIL--MRSGHNR---AVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKC--KLNLPPYLT---QEARDLLKKLLKRNAASRLGAGPGDAGEVQAHPFFRHINWEELLARKVEPPFKPLLQSEEDVSQF-DSKFTRQTPVDSPDDSTLSESANQVFLGFTYVAPSVLESVKEKFSFEPKIRSPRRFIGSPRTPVSPVKFSPGDFWGRGASASTANPQTPVEYPMETSGIEQMDVTMSGEASAPLPIRQPNSGPYKKQAFPMISKRPEHLRMNL |
3TKU Chain:B ((86-425)) | ------------------------------------------------------------------------------------QLHREDFEIIKVIGRGAFGEVAVVKM---KNTERIYAMKILNKWEMLKRA-ETACFREERDVLVNGDCQWITALHYAFQDENHLYLVMDYYVGGDLLTLLSKFEDKLPEDMARFYIGEMVLAIDSIHQLHYVHRDIKPDNVLLDVNGHIRLADFGSCLKMNDDGTVQSSVAVGTPDYISPEILQAMEDGMGKYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHEERFQFPSHVTDVSEEAKDLIQRLIC-SRERRLGQNGIE--DFKKHAFFEGLNWENI--RNLEAPYIPDVSSPSDTSNFD------------------FSGLHLPFIGFTFTTESCF---------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TKU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177906 for 2420 contacts (-73.5/contact) +
2D Compatibility (PS) -33385 + (NN) -18976 + (LL) 8360
1D Compatibility (HY) -30400 + (ID) 5950
Total energy: -258257.0 ( -106.72 by residue)
QMean score : 0.519
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