Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRRRRRRDGFYPAPDFRDREAEDMAGVFDIDLDQPEDAGSEDELEEGGQLNESMDHGGVGPYELGMEHCEKFEISETSVNRGPEKIRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNAKDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLER-EGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHDGTVT-HTFCGTIEYMAPEILM-----RSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKC--KLNLPPY---LTQEARDLLKKLLKRNAASRLGAGPGDAGEVQAHPFFRHINWEELLARKVEPPFKPLLQSEEDVSQFDSKFTRQTPVDSPDDSTLSESANQVFLGFTYVAPSVLESVKEKFSFEPKIRSPRRFIGSPRTPVSPVKFSPGDFWGRGASASTANPQTPVEYPMETSGIEQMDVTMSGEASAPLPIRQPNSGPYKKQAFPMISKRPEHLRMNL |
| 4AW2 Chain:A ((69-412)) | -----------------------------------------------------------------------------------MRLHREDFEILKVIGRGAFGEVAVVKL---KNADKVFAMKILNKWEMLK-RAETACFREERDVLVNGDSKWITTLHYAFQDDNNLYLVMDYYVGGDLLTLLSKFEDRLPEEMARFYLAEMVIAIDSVHQLHYVHRDIKPDNILMDMNGHIRLADFGSCLKLMEDGTVQSSVAVGTPDYISPEILQAMEGGKGRYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHKERFQFPTQVTDVSENAKDLIRRLICSR-EHRLGQ--NGIEDFKKHPFFSGIDWDNI--RNCEAPYIPEVSSPTDTSNFDVD----------------SGHHLPFVGFTYTSSCVLSDR------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AW2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176443 for 2535 contacts (-69.6/contact) +
2D Compatibility (PS) -34093 + (NN) -17135 + (LL) 7616
1D Compatibility (HY) -29200 + (ID) 5950
Total energy: -255205.0 ( -100.67 by residue)
QMean score : 0.581
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