Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRRLSSWRKMATAEKQKHDGRVKIGHYILGDTLGVGTFGKVKVGKHELTGHKVAVKILNRQKIRSLDVVGKIRREIQNLKLFRHPHIIKLYQVISTPSDIFMVMEYVSGGELFDYICKNGRLDEKESRRLFQQILSGVDYCHRHMVVHRDLKPENVLLDAHMN---AKIADFGLSNMMSDGEFLRTSCGSPNYAAPEVISGRLYAG--PEVDIWSSGVILYALLCGTLPFDDDHVPTLFK-KICDGIF-YTPQY---LNPSVISLLKHMLQVDPMKRATIKDIREHEWFKQDLPKYLFPEDPSYSSTMIDDEALKEVCEKFECSEEEVLSCLYNRNHQDPLAVAYHLIIDNRRIMNEAKDFYLATSPPDSFLDDHHLTRPHPERVPFLVAETPRARHTLDELNPQKSKHQGVRKAKWHLGIRSQSRPNDIMAEVCRAIKQLDYEWKVVNPYYLRVRRKNPVTSTYSKMSLQLYQVDSRTYLLDFRSIDDEITEAKSGTATPQRSGSVSNYRSCQRSDSDAEAQGKSSEVSLTSSVTSLDSSPVDLTPRPGSHTIEFFEMCANLIKILAQ |
2CN8 Chain:A ((17-287)) | -------------------------EYIMSKTLGS----EVKLAFERKTCKKVAIKIISK----------NVETEIEILKKLNHPCIIKIKNFFDA-EDYYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL--TSLMRTLC--PTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEH---VSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CN8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -135850 for 1654 contacts (-82.1/contact) +
2D Compatibility (PS) -24434 + (NN) -5903 + (LL) 19064
1D Compatibility (HY) -23600 + (ID) 4750
Total energy: -175473.0 ( -106.09 by residue)
QMean score : 0.455
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