Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTSTSIPTFPFDRPVPTEPSPMLSELRNSCPVAPIELPSGHTAWLVTRFDDVKGVLSDKRFSCRAAAHPSSPP-FVPFVQLCPSLLSIDGPQHTAARRLLAQGLNPGFIARMRPVVQQIVDNALDDLAAAEPPVDFQEIVSVPIGEQLMAKLLGVEPKTVHELAAHVDAAMSVCEIGDEEVSRRWSALCTMVIDILHRKLAEPGDDLLSTIAQANRQQSTMTDEQVVGMLLTVVIGGVDTPIAVITNGLASLLHHRDQYERLVEDPGRVARAVEEIVRFNPATEIEHLRVVTEDVVIAGTALSAGSPAFTSITSANRDSDQFLDPDEFDVERNPNEHIAFGYGPHACPASAYSRMCLTTFFTSLTQRFPQLQLARPFEDLERRGKGLHSVGIKELLVTWPT |
3ABA Chain:A ((7-400)) | ----DAPTVPKARSCPFLPPDGIADIRAAAPVTRATFTSGHEAWLVTGYEEVRALLRDSSFSVQVPHALHTQDGVVTQKPGRGSLLWQDEPEHTSDRKLLAKEFTVRRMQALRPNIQRIVDEHLDAIEARGGPVDLVKTFANAVPSMVISDLFGVPVERRAEFQDIAEAMMRV-DQDAAATEAAGMRLGGLLYQLVQERRANPGDDLISALITTEDPDGVVDDMFLMNAAGTLLIAAHDTTACMIGLGTALLLDSPDQLALLREDPSLVGNAVEELLRYLTIGQFGGERVATRDVELGGVRIAKGEQVVAHVLAADFDPAFVEEPERFDITRRPAPHLAFGFGAHQCIGQQLARIELQIVFETLFRRLPGLRLAKPVEELRFRH-DMVFYGVHELPVTWH- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ABA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -237640 for 3321 contacts (-71.6/contact) +
2D Compatibility (PS) -42397 + (NN) -27779 + (LL) 456
1D Compatibility (HY) -25600 + (ID) 6150
Total energy: -339110.0 ( -102.11 by residue)
QMean score : 0.502
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