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Result of EvoDesign for MopII molbindin from Clostridium pasteurianum


Summary of input:



Summary of output:

EvoDesign Rank EvoDesign Score[?] Sequence Identity (%) [?] Normalized Relative Error [?] I-TASSER prediction [?]
Secondary Structure Solvent Accessibility Torsion Angle φ Torsion Angle ψ Model TM-score RMSD (Å)
Rank 1 0.16 25.4 -0.13 -0.07 0.07 0.30 Structure 1 0.91 1.02
Rank 2 0.66 28.4 0.47 0.04 0.47 0.73 Structure 2 0.93 0.85
Rank 3 1.64 17.9 0.07 0.07 0.05 0.04 Structure 3 0.87 3.86
Rank 4 2.17 25.4 -0.13 -0.14 0.49 0.53 Structure 4 0.90 1.04
Rank 5 4.00 26.9 -0.27 0.06 0.01 0.28 Structure 5 0.90 1.15
Rank 6 4.55 35.8 0.53 0.06 0.24 0.14 Structure 6 0.89 1.20
Rank 7 5.00 29.9 0.60 -0.08 0.53 1.51 Structure 7 0.90 1.12
Rank 8 5.88 31.3 0.33 0.02 0.53 0.79 Structure 8 0.93 0.81
Rank 9 7.69 26.9 -0.27 0.09 0.49 0.27 Structure 9 0.88 1.47
Rank 10 9.09 32.8 0.47 0.09 0.25 0.93 Structure 10 0.92 1.06
Data.zip SI SS SA φ ψ



Detail on Design:
	SeqIdentity:	% of sequence identity between design sequence and scaffold sequence.
Lig_bind: Residues are within 8.0 Å sphere radius of the hetero atoms.
DSSP_SS: Secondary structure as assigned by DSSP program on the scaffold structure.
Scaffold: Scaffold sequence.
The identical residues are marked by '|'.
Design: Design sequence.
  • Design 1:
    Download Model
    	SeqIdentity:	 25.4% 
    Lig_bind: ** ** DSSP_SS: CCCCCCEEEEEEEEEEECCCEEEEEEEECCCCEEEEEEEHHHHHHHCCCCCCEEEEECCCCCCCCCC Scaffold: SISARNQLKGKVVGLKKGVVTAEVVLEIAGGNKITSIISLDSVEELGVKEGAELTAVVKSTDVMILA | | || | | || | || | | | | | | Design 1: QKAAKNMYKGTVKEIEQGGSETEVYVQIPGGEELTMTMPIQTAEALKLEPGREITVIMPPDSIHVFR
  • Design 2:
    Download Model
    	SeqIdentity:	 28.4% 
    Lig_bind: ** ** DSSP_SS: CCCCCCEEEEEEEEEEECCCEEEEEEEECCCCEEEEEEEHHHHHHHCCCCCCEEEEECCCCCCCCCC Scaffold: SISARNQLKGKVVGLKKGVVTAEVVLEIAGGNKITSIISLDSVEELGVKEGAELTAVVKSTDVMILA | | | ||| | | | || || | | | || | Design 2: SKAAENTLKGRIVQVKELGQFTEIIVEIPGGEEIVMLVPVKSAEAMRLEPGAHIAVWIEASKIHIFK
  • Design 3:
    Download Model
    	SeqIdentity:	 17.9% 
    Lig_bind: ** ** DSSP_SS: CCCCCCEEEEEEEEEEECCCEEEEEEEECCCCEEEEEEEHHHHHHHCCCCCCEEEEECCCCCCCCCC Scaffold: SISARNQLKGKVVGLKKGVVTAEVVLEIAGGNKITSIISLDSVEELGVKEGAELTAVVKSTDVMILA | | | | | || | || | | Design 3: RKPVENVYEGRIVHIEELGEETQIHLQIPGGQSLMAKVPVECVQTMKLEPGANVVVLMKADRIHIFR
  • Design 4:
    Download Model
    	SeqIdentity:	 25.4% 
    Lig_bind: ** ** DSSP_SS: CCCCCCEEEEEEEEEEECCCEEEEEEEECCCCEEEEEEEHHHHHHHCCCCCCEEEEECCCCCCCCCC Scaffold: SISARNQLKGKVVGLKKGVVTAEVVLEIAGGNKITSIISLDSVEELGVKEGAELTAVVKSTDVMILA | | | | | | | || ||| | | | | | Design 4: EKVADNVFEGRVSFIERGGDYCEIHIECGGGENLKILVPVEAVEEMKVEPGKHITVLIPASNVHIFR
  • Design 5:
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    	SeqIdentity:	 26.9% 
    Lig_bind: ** ** DSSP_SS: CCCCCCEEEEEEEEEEECCCEEEEEEEECCCCEEEEEEEHHHHHHHCCCCCCEEEEECCCCCCCCCC Scaffold: SISARNQLKGKVVGLKKGVVTAEVVLEIAGGNKITSIISLDSVEELGVKEGAELTAVVKSTDVMILA | | || || | || || | | || | | | Design 5: CKAADNIFKGRVVEIEMGGDYTEVIVKMPGGQSLTAVIPMKKANQMKIEQGAQVTVYMKADIIHVLR
  • Design 6:
    Download Model
    	SeqIdentity:	 35.8% 
    Lig_bind: ** ** DSSP_SS: CCCCCCEEEEEEEEEEECCCEEEEEEEECCCCEEEEEEEHHHHHHHCCCCCCEEEEECCCCCCCCCC Scaffold: SISARNQLKGKVVGLKKGVVTAEVVLEIAGGNKITSIISLDSVEELGVKEGAELTAVVKSTDVMILA | | | ||||| | | | || || | || | | | | | | Design 6: SSTAENILKGKVIKVEKLGELTEIYIAIPGGEKIAVLIPIECASDLGLKPGDEIVVVFPASSVHIFH
  • Design 7:
    Download Model
    	SeqIdentity:	 29.9% 
    Lig_bind: ** ** DSSP_SS: CCCCCCEEEEEEEEEEECCCEEEEEEEECCCCEEEEEEEHHHHHHHCCCCCCEEEEECCCCCCCCCC Scaffold: SISARNQLKGKVVGLKKGVVTAEVVLEIAGGNKITSIISLDSVEELGVKEGAELTAVVKSTDVMILA | | || | | ||| || || | | | | | | | Design 7: SRAVENLFKGRVDFLESLGDKTEVVMVVPGGQQLVVVVPIQCVEALKISPGQQIVAWFKPTQVHIYR
  • Design 8:
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    	SeqIdentity:	 31.3% 
    Lig_bind: ** ** DSSP_SS: CCCCCCEEEEEEEEEEECCCEEEEEEEECCCCEEEEEEEHHHHHHHCCCCCCEEEEECCCCCCCCCC Scaffold: SISARNQLKGKVVGLKKGVVTAEVVLEIAGGNKITSIISLDSVEELGVKEGAELTAVVKSTDVMILA | | | || | | | | || || | | | | ||| | Design 8: SKALEYVLEGTVVAVEMGGEFTEIVMQIPGGKKIVVKVPVNSAEALQVTEGASVLVWMPPESVHVIR
  • Design 9:
    Download Model
    	SeqIdentity:	 26.9% 
    Lig_bind: ** ** DSSP_SS: CCCCCCEEEEEEEEEEECCCEEEEEEEECCCCEEEEEEEHHHHHHHCCCCCCEEEEECCCCCCCCCC Scaffold: SISARNQLKGKVVGLKKGVVTAEVVLEIAGGNKITSIISLDSVEELGVKEGAELTAVVKSTDVMILA | ||| | | | | || | | | || | | | Design 9: SKVTDYVLKGTIVQLELGGTETQVHIAVDGGQKLTVLIPIEQAQELKLQPGRKIIVWLPADQVHVLR
  • Design 10:
    Download Model
    	SeqIdentity:	 32.8% 
    Lig_bind: ** ** DSSP_SS: CCCCCCEEEEEEEEEEECCCEEEEEEEECCCCEEEEEEEHHHHHHHCCCCCCEEEEECCCCCCCCCC Scaffold: SISARNQLKGKVVGLKKGVVTAEVVLEIAGGNKITSIISLDSVEELGVKEGAELTAVVKSTDVMILA | | | | | | ||| | || | | ||| | | | | | Design10: QKSVDNLYEGTVTALQMMGVMAEVYIKIPGGQVLTALVPLNSVEQLKLQPGKHIIIYVPASKVHIMR


    Reference: