Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRRRRRRDGFYPAPDFRDREAEDMAGVFDIDLDQPEDAGSEDELEEGGQLNESMDHGGVGPYELGMEHCEKFEISETSVNRGPE-KIRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNAKDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLER-EGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHDGTVTHT-FCGTIEYMAPEILM-----RSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKCK--LNLPPY---LTQEARDLLKKLLKRNAASRLGAGPGDAGEVQAHPFFRHINWEELLARKVEPPFKPLLQSEEDVSQF--DSKFTRQTPVDSPDDSTLSESANQVFLGFTYVAPSVLESVKEKFSFEPKIRSPRRFIGSPRTPVSPVKFSPGDFWGRGASASTANPQTPVEYPMETSGIEQMDVTMSGEASAPLPIRQPNSGPYKKQAFPMISKRPEHLRMNL |
4AW2 Chain:A ((54-410)) | ---------------------------------------------------------------------EYLEWAKPFTSKVKQMRLHREDFEILKVIGRGAFGEVAVVKL---KNADKVFAMKILNKWEMLKRA-ETACFREERDVLVNGDSKWITTLHYAFQDDNNLYLVMDYYVGGDLLTLLSKFEDRLPEEMARFYLAEMVIAIDSVHQLHYVHRDIKPDNILMDMNGHIRLADFGSCLKLMEDGTVQSSVAVGTPDYISPEILQAMEGGKGRYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHKERFQFPTQVTDVSENAKDLIRRLIC-SREHRLGQN--GIEDFKKHPFFSGIDWDNI--RNCEAPYIPEVSSPTDTSNFDVD------------------SGHHLPFVGFTYTSSCVLSDRSCLR--------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4AW2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -187715 for 2555 contacts (-73.5/contact) +
2D Compatibility (PS) -34945 + (NN) -15407 + (LL) 6684
1D Compatibility (HY) -30000 + (ID) 6150
Total energy: -267533.0 ( -104.71 by residue)
QMean score : 0.582
|
|
|