Aerolysin

(All numbering and residues are taken from first PDB file)

Run Details Domains Sequence Morph Domain Pairs Contact Graph

DynDom run details

  Property   Value
  Name Aerolysin
  Conformer 1
(PDB)
3c0n (A)
  Conformer 2
(PDB)
3c0n (B)
  Window Length 5
  Minimum ratio 1.0
  Minimum domain size 20

Domains

Domain Size Backbone RMSD
(A)
Residues
1 162 0.4   86 - 92   105 - 175   313 - 396
2 80 0.55   4 - 83
3 102 0.49   93 - 104   176 - 199   223 - 225   229 - 268   271 - 274   302 - 312   397 - 404
4 99 0.59   200 - 222   226 - 228   269 - 270   275 - 301   405 - 466

Sequence


           ________________________________________________________________________________82_______91__________104________________ 
 3c0n(A) : *EPVYPDQLRLFSLGQGVCGDKYRPVNREEAQSVKSNIVGMMGQWQISGLANGWVIMGPGYNGEIKPGTASNTWCYPTNPVTGEIPTLSALDIPDGDEVDVQWRLVHDSANFIKPTSYLA 
         :                                                                                                                          
 3c0n(B) : AEPVYPDQLRLFSLGQGVCGDKYRPVNREEAQSVKSNIVGMMGQWQISGLANGWVIMGPGYNGEIKPGTASNTWCYPTNPVTGEIPTLSALDIPDGDEVDVQWRLVHDSANFIKPTSYLA 
           ________________________________________________________________________________82_______91__________104________________ 

           ____________________________________________________175_________________195________________________222___228____________ 
 3c0n(A) : HYLGYAWVGGNHSQYVGEDMDVTRDGDGWVIRGNNDGGCDGYRCGDKTAIKVSNFAYNLDPDSFKHGDVTQSDRQLVKTVVGWAVNDSDTPQSGYDVTLRGDTATNWSKTNTYGLSEKVT 
         :                                                                                                                          
 3c0n(B) : HYLGYAWVGGNHSQYVGEDMDVTRDGDGWVIRGNNDGGCDGYRCGDKTAIKVSNFAYNLDPDSFKHGDVTQSDRQLVKTVVGWAVNDSDTPQSGYDVTLRGDTATNWSKTNTYGLSEKVT 
           ____________________________________________________175_________________195________________________222___228____________ 

           _________________________268___274________________________301________312________________________________________________ 
 3c0n(A) : TKNKFKWPLVGETELSIEIAANQSWASQNGGSTTTSLSQSVRPTVPARSKIPVKIELYKADISYPYEFKADVSYDLTLSGFLRWGGNAWYTHPDNRPNWNHTFVIGPYKDKASSIRYQWD 
         :                                                                                                                          
 3c0n(B) : TKNKFKWPLVGETELSIEIAANQSWASQNGGSTTTSLSQSVRPTVPARSKIPVKIELYKADISYPYEFKADVSYDLTLSGFLRWGGNAWYTHPDNRPNWNHTFVIGPYKDKASSIRYQWD 
           _________________________268___274________________________301________312________________________________________________ 

           _________________________________396_____404_______________________________________________                              
 3c0n(A) : KRYIPGEVKWWDWNWTIQQNGLSTMQNNLARVLRPVRAGITGDFSAESQFAGNIEIGAPVPLgLRLEIPLDAQELSGLGFNNVSLSVTPAA                              
         :                                                                                                                          
 3c0n(B) : KRYIPGEVKWWDWNWTIQQNGLSTMQNNLARVLRPVRAGITGDFSAESQFAGNIEIGAPVPL-lRLEIPLDAQELSGLGFNNVSLSVTPAA                              
           _________________________________396_____404_______________________________________________                              

Morph

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Status: Initialising

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Domain Pairs

Fixed Domain Moving Domain Rotation Angle Translation   (A) Closure Bending Residues  
1 2 16.3 0.5 34.9   82 - 86 Bending Region Analysis
1 3 6.5 0.2 97.8   91 - 94   104 - 105   175 - 176   312 - 313   396 - 397 Bending Region Analysis
4 3 6.0 0.2 75.5   195 - 200   222 - 223   225 - 226   228 - 229   268 - 271   274 - 275   301 - 303   404 - 407 Bending Region Analysis

Dynamic Contact Graph

Conformer 1 Contact:
Residue 1 ———› Residue 2

Conformer 2 Contact:
Residue 2 ———› Residue 1

Movement classification:

No Contacts

Conformer 1 Contact:
Residue 1 ———› Residue 3

Conformer 2 Contact:
Residue 3 ———› Residue 1

Movement classification: Hinge

Conformer 1 Contact:
Residue 4 ———› Residue 3

Conformer 2 Contact:
Residue 3 ———› Residue 4

Movement classification: Hinge

PyMOL Script

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