PROCHECK-NMR. PROCHECK v.3.5.4 (Feb 2001)
-----------------------------------------
 
Coordinates file:   [ SPR104_R3Cons_em_bcr3.pdb ]
 
Ranges file:    [ SPR104_R3Cons_em_bcr3.ressel ]
 
 
Program directory:    /farm/software/procheck/
 
Running clean-up on file: SPR104_R3Cons_em_bcr3.pdb
 
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   9  PHE M  41  PHE M 101  PHE M 133                                      
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M  34  PHE M  41  PHE M  71  PHE M  99  PHE M 126  PHE M 133     
 * PHE M 163                                                                       
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M  34  PHE M  41  PHE M  71  PHE M  99  PHE M 126  PHE M 133     
 * PHE M 163                                                                       
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M  41  PHE M  99  PHE M 133                                      
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M  99                                                            
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M  41  ASP M  42  PHE M  99  PHE M 133  ASP M 134                
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M  41  PHE M 133                                                            
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   9  PHE M  34  PHE M  41  PHE M 101  PHE M 126  PHE M 133                
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M  34  PHE M  41  PHE M  99  PHE M 126  PHE M 133                
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M   9  PHE M  34  PHE M  99  PHE M 101  PHE M 126                
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M  41  PHE M  99  PHE M 133                                      
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M   9  PHE M  41  PHE M  99  PHE M 101  PHE M 133                
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   9  PHE M  41  PHE M  71  PHE M 101  PHE M 133  PHE M 163                
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   9  PHE M  34  PHE M  41  PHE M  71  PHE M 101  PHE M 126  PHE M 133     
 * PHE M 163                                                                       
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M  41  PHE M  99  PHE M 133                                      
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M  41  PHE M 133                                                            
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   9  PHE M  34  PHE M  41  PHE M 101  PHE M 126  PHE M 133                
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M   9  PHE M  34  PHE M  41  PHE M  99  PHE M 101  PHE M 126     
 * PHE M 133                                                                       
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   7  PHE M  34  PHE M  41  PHE M  99  PHE M 126  PHE M 133                
 ** Unrecognized atom type [ O2 ] in residue HIS M  82 
 ** Unrecognized atom type [ O2 ] in residue HIS M 174 
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   9  PHE M  34  PHE M  41  ASP M  42  PHE M 101  PHE M 126  PHE M 133     
 * ASP M 134                                                                       
 * NMR ensemble comprises 20 model structures
 * Program completed
 
.................................................................
 
Secondary structure assignment
 
 * NMR ensemble comprises 20 model structures
 * Program completed
 
..................................................................
 
RMS deviations for ensemble
 
 * Program completed
 
..................................................................
 
Phi-psi and chi1-chi2 distributions
 
 
*
*
*  Model and residue ranges selected in file: SPR104_R3Cons_em_bcr3.ressel
*  ------------------------------------------
*
*      ALL models in the ensemble
* 
*      From residue    8  in chain [M] to residue   21  in chain [M]
*      From residue   25  in chain [M] to residue   34  in chain [M]
*      From residue   40  in chain [M] to residue   46  in chain [M]
*      From residue   57  in chain [M] to residue   73  in chain [M]
*      From residue  100  in chain [M] to residue  113  in chain [M]
*      From residue  117  in chain [M] to residue  126  in chain [M]
*      From residue  132  in chain [M] to residue  139  in chain [M]
*      From residue  149  in chain [M] to residue  165  in chain [M]
* 
 Main Ramachandran plot          * File: SPR104_R3Cons_em_bcr3_01_ramachand.ps
 All-residue Ramachandran plots  * File: SPR104_R3Cons_em_bcr3_02_allramach.ps
 All-residue chi1-chi2 plots     * File: SPR104_R3Cons_em_bcr3_03_chi1_chi2.ps
 * Program complete
 
..................................................................
 
Dihedral angle distributions and quality plots
 
 
*
*
*  Model and residue ranges selected in file: SPR104_R3Cons_em_bcr3.ressel
*  ------------------------------------------
*
*      ALL models in the ensemble
* 
*      From residue    8  in chain [M] to residue   21  in chain [M]
*      From residue   25  in chain [M] to residue   34  in chain [M]
*      From residue   40  in chain [M] to residue   46  in chain [M]
*      From residue   57  in chain [M] to residue   73  in chain [M]
*      From residue  100  in chain [M] to residue  113  in chain [M]
*      From residue  117  in chain [M] to residue  126  in chain [M]
*      From residue  132  in chain [M] to residue  139  in chain [M]
*      From residue  149  in chain [M] to residue  165  in chain [M]
* 
 **** No torsion angle restraints found
 Phi angle distributions         * File: SPR104_R3Cons_em_bcr3_04_phidistrb.ps
 Psi angle distributions         * File: SPR104_R3Cons_em_bcr3_05_psidistrb.ps
 Chi-1 angle distributions       * File: SPR104_R3Cons_em_bcr3_06_ch1distrb.ps
 Chi-2 angle distributions       * File: SPR104_R3Cons_em_bcr3_07_ch2distrb.ps
 Ensemble Ramachandran plots     * File: SPR104_R3Cons_em_bcr3_08_ensramach.ps
 Ensemble chi1-chi2 plots        * File: SPR104_R3Cons_em_bcr3_09_ensch1ch2.ps
 Residue properties plot         * File: SPR104_R3Cons_em_bcr3_10_residprop.ps
 Model secondary structures      * File: SPR104_R3Cons_em_bcr3_11_modelsecs.ps
 
..................................................................
 
Restraints and restraint violation plots
 
 
*
*
*  Model and residue ranges selected in file: SPR104_R3Cons_em_bcr3.ressel
*  ------------------------------------------
*
*      ALL models in the ensemble
* 
*      From residue    8  in chain [M] to residue   21  in chain [M]
*      From residue   25  in chain [M] to residue   34  in chain [M]
*      From residue   40  in chain [M] to residue   46  in chain [M]
*      From residue   57  in chain [M] to residue   73  in chain [M]
*      From residue  100  in chain [M] to residue  113  in chain [M]
*      From residue  117  in chain [M] to residue  126  in chain [M]
*      From residue  132  in chain [M] to residue  139  in chain [M]
*      From residue  149  in chain [M] to residue  165  in chain [M]
* 
 *
 * Restraints read in from file:
 * SPR104_R3Cons_em_bcr3.nrv                                                   
 * Warning. Restraints file not found:
 * Number of restraints read in:       0
 *
 * Restraints read in from file:
 * SPR104_R3Cons_em_bcr3.hrv                                                   
 * Warning. Restraints file not found:
 * Number of restraints read in:       0
 *
 * Restraints read in from file:
 * SPR104_R3Cons_em_bcr3.srv                                                   
 * Warning. Restraints file not found:
 * Number of restraints read in:       0
 *
 * Total number of restraints read in: 0
 *
 **** No distance restraints found
 **** No torsion angle restraints found
 *
 **** No restraints found, so no restraint plots will be produced
 
..................................................................