NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing in_recoord stage program type subtype subsubtype
469490 1agg cing recoord 4-filtered-FRED Wattos check violation dihedral angle


data_1agg


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              173
    _TA_constraint_stats_list.Viol_count                    1385
    _TA_constraint_stats_list.Viol_total                    32878.98
    _TA_constraint_stats_list.Viol_max                      14.48
    _TA_constraint_stats_list.Viol_rms                      0.99
    _TA_constraint_stats_list.Viol_average_all_restraints   0.33
    _TA_constraint_stats_list.Viol_average_violations_only  0.99
    _TA_constraint_stats_list.Cutoff_violation_report       5.00
    _TA_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * ID of the restraint list.                                                                 
*  3 * Number of restraints in list.                                                             
*  4 * Number of violated restraints (each model violation is used).                             
*  5 * Sum of violations in degrees.                                                             
*  6 * Maximum violation of a restraint without averaging in any way.                            
*  7 * Rms of violations over all restraints.                                                    
*  8 *  Average violation over all restraints.                                                   
*  9 *  Average violation over violated restraints.                                              
            This violation is averaged over only those models in which the restraint is violated.
            Threshold for reporting violations (degrees) in the last columns of the next table.     
*  10 * This tag.                                                                                

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                             
*  2 * Torsion angle name where available.                             
*  3 *     First atom's:                                               
*  4 * Chain identifier (can be absent if none defined)                
*  5 * Residue number                                                  
*  6 * Residue name                                                    
*  7 * Name of (pseudo-)atom                                           
*  8 *  Second thru fourth atom's identifiers occupy columns 7 thru 18.
*  19 * Lower bound (degrees)                                               
*  20 * Upper bound (degrees)                                               
*  21 * Average angle in ensemble of models                                 
*  22 * Minimum angle in ensemble of models (counter clockwise from range)  
*  23 * Maximum angle in ensemble of models         (clockwise from range)  
*  24 * Maximum violation (without any averaging)                           
*  25 * Model number with the maximum violation                             
*  26 * Number of models with a violation above cutoff                      
*  27 * List of models with a violation above cutoff. See description above.
*  28 * Administrative tag                                                  
*  29 * Administrative tag                                                  

;


    loop_
       _TA_constraint_stats.Restraint_ID
       _TA_constraint_stats.Torsion_angle_name
       _TA_constraint_stats.Entity_assembly_ID_1
       _TA_constraint_stats.Comp_index_ID_1
       _TA_constraint_stats.Comp_ID_1
       _TA_constraint_stats.Atom_ID_1
       _TA_constraint_stats.Entity_assembly_ID_2
       _TA_constraint_stats.Comp_index_ID_2
       _TA_constraint_stats.Comp_ID_2
       _TA_constraint_stats.Atom_ID_2
       _TA_constraint_stats.Entity_assembly_ID_3
       _TA_constraint_stats.Comp_index_ID_3
       _TA_constraint_stats.Comp_ID_3
       _TA_constraint_stats.Atom_ID_3
       _TA_constraint_stats.Entity_assembly_ID_4
       _TA_constraint_stats.Comp_index_ID_4
       _TA_constraint_stats.Comp_ID_4
       _TA_constraint_stats.Atom_ID_4
       _TA_constraint_stats.Angle_lower_bound_val
       _TA_constraint_stats.Angle_upper_bound_val
       _TA_constraint_stats.Angle_average
       _TA_constraint_stats.Angle_minimum
       _TA_constraint_stats.Angle_maximum
       _TA_constraint_stats.Max_violation
       _TA_constraint_stats.Max_violation_model_number
       _TA_constraint_stats.Over_cutoff_violation_count
       _TA_constraint_stats.Over_cutoff_violation_per_model

         1 . 1  4 CYS C  1  5 ILE N  1  5 ILE CA 1  5 ILE C  -175.00  -75.00 -109.15 -107.74 -108.01     .  .  0 "[    .    1    .    2    ]" 
         2 . 1 10 GLY C  1 11 LYS N  1 11 LYS CA 1 11 LYS C   -90.00  -10.00  -81.93  -77.21  -90.88  7.66 20  3 "[    .  - 1    *    +    ]" 
         3 . 1 13 THR C  1 14 TRP N  1 14 TRP CA 1 14 TRP C   -90.00  -10.00  -86.57  -86.36  -90.39  4.79 16  0 "[    .    1    .    2    ]" 
         4 . 1 16 GLY C  1 17 THR N  1 17 THR CA 1 17 THR C   -90.00  -10.00  -84.01  -91.29  -71.09  1.29 20  0 "[    .    1    .    2    ]" 
         5 . 1 20 CYS C  1 21 ARG N  1 21 ARG CA 1 21 ARG C   -90.00  -10.00  -86.44  -94.77    4.48 14.48 10  2 "[    .    +    .    2  - ]" 
         6 . 1 27 CYS C  1 28 SER N  1 28 SER CA 1 28 SER C   -90.00  -10.00  -63.37  -77.86  -51.31     .  .  0 "[    .    1    .    2    ]" 
         7 . 1 28 SER C  1 29 MET N  1 29 MET CA 1 29 MET C   -90.00  -10.00  -65.43  -63.69  -64.39     .  .  0 "[    .    1    .    2    ]" 
         8 . 1 35 GLU C  1 36 CYS N  1 36 CYS CA 1 36 CYS C   -90.00  -10.00  -86.63  -86.69  -88.08  5.58 18  1 "[    .    1    .  + 2    ]" 
         9 . 1 11 LYS C  1 12 CYS N  1 12 CYS CA 1 12 CYS C  -175.00  -75.00 -136.89 -136.42 -138.36     .  .  0 "[    .    1    .    2    ]" 
        10 . 1 12 CYS C  1 13 THR N  1 13 THR CA 1 13 THR C  -175.00  -75.00 -144.67 -150.61 -140.16     .  .  0 "[    .    1    .    2    ]" 
        11 . 1 24 PRO C  1 25 CYS N  1 25 CYS CA 1 25 CYS C  -175.00  -75.00 -127.05 -132.44 -134.55     .  .  0 "[    .    1    .    2    ]" 
        12 . 1 26 ARG C  1 27 CYS N  1 27 CYS CA 1 27 CYS C  -175.00  -75.00  -77.68 -134.85  -73.23  1.77 14  0 "[    .    1    .    2    ]" 
        13 . 1 31 GLY C  1 32 THR N  1 32 THR CA 1 32 THR C  -175.00  -75.00  -94.24  -89.79  -96.17     .  .  0 "[    .    1    .    2    ]" 
        14 . 1 34 CYS C  1 35 GLU N  1 35 GLU CA 1 35 GLU C  -175.00  -75.00 -130.36 -142.23 -119.27     .  .  0 "[    .    1    .    2    ]" 
        15 . 1 29 MET C  1 30 ILE N  1 30 ILE CA 1 30 ILE C  -175.00  -75.00  -76.64  -74.48  -74.53  1.38 11  0 "[    .    1    .    2    ]" 
        16 . 1 12 CYS N  1 12 CYS CA 1 12 CYS CB 1 12 CYS SG   40.00   80.00   67.20   51.44   80.79  0.79 22  0 "[    .    1    .    2    ]" 
        17 . 1  4 CYS N  1  4 CYS CA 1  4 CYS CB 1  4 CYS SG   40.00   80.00   66.19   66.34   66.10     .  .  0 "[    .    1    .    2    ]" 
        18 . 1 19 CYS N  1 19 CYS CA 1 19 CYS CB 1 19 CYS SG  -80.00  -40.00  -77.06  -57.65  -62.26 10.86  6 12 "[- ***+  *1*   . * *2** *]" 
        19 . 1 27 CYS N  1 27 CYS CA 1 27 CYS CB 1 27 CYS SG  -80.00  -40.00  -65.82  -65.70  -83.57  5.96 11  1 "[    .    1+   .    2    ]" 
        20 . 1 34 CYS N  1 34 CYS CA 1 34 CYS CB 1 34 CYS SG  -80.00  -40.00  -66.35  -67.60  -76.55  1.28 11  0 "[    .    1    .    2    ]" 
        21 . 1 20 CYS N  1 20 CYS CA 1 20 CYS CB 1 20 CYS SG  160.00 -160.00 -154.66 -156.16 -152.02  7.98 23 16 "[*  -******** *. ** * *+ ]" 
        22 . 1  2 ASP CA 1  2 ASP C  1  3 ASN N  1  3 ASN CA  170.00 -170.00  177.35  171.44  170.11  1.02 15  0 "[    .    1    .    2    ]" 
        23 . 1  2 ASP O  1  2 ASP C  1  3 ASN N  1  3 ASN H   170.00 -170.00 -179.84  169.86 -169.55  0.45  9  0 "[    .    1    .    2    ]" 
        24 . 1  2 ASP CA 1  2 ASP C  1  3 ASN N  1  3 ASN H   -10.00   10.00    0.22  -10.09   10.66  0.66  7  0 "[    .    1    .    2    ]" 
        25 . 1  2 ASP O  1  2 ASP C  1  3 ASN N  1  3 ASN CA  -10.00   10.00   -2.72   -7.94   -8.66  0.39 15  0 "[    .    1    .    2    ]" 
        26 . 1  3 ASN CA 1  3 ASN C  1  4 CYS N  1  4 CYS CA  170.00 -170.00 -179.62 -177.98  179.11  1.86 13  0 "[    .    1    .    2    ]" 
        27 . 1  3 ASN O  1  3 ASN C  1  4 CYS N  1  4 CYS H   170.00 -170.00  176.46  169.67 -169.74  0.33  8  0 "[    .    1    .    2    ]" 
        28 . 1  3 ASN CA 1  3 ASN C  1  4 CYS N  1  4 CYS H   -10.00   10.00   -4.40  -10.20    9.07  0.20 18  0 "[    .    1    .    2    ]" 
        29 . 1  3 ASN O  1  3 ASN C  1  4 CYS N  1  4 CYS CA  -10.00   10.00    1.24    0.84   -3.51  0.36  8  0 "[    .    1    .    2    ]" 
        30 . 1  4 CYS CA 1  4 CYS C  1  5 ILE N  1  5 ILE CA  170.00 -170.00  177.04  170.27 -177.14     .  .  0 "[    .    1    .    2    ]" 
        31 . 1  4 CYS O  1  4 CYS C  1  5 ILE N  1  5 ILE H   170.00 -170.00 -171.21 -176.63 -169.66  0.34 21  0 "[    .    1    .    2    ]" 
        32 . 1  4 CYS CA 1  4 CYS C  1  5 ILE N  1  5 ILE H   -10.00   10.00    8.73    4.30   10.24  0.24  8  0 "[    .    1    .    2    ]" 
        33 . 1  4 CYS O  1  4 CYS C  1  5 ILE N  1  5 ILE CA  -10.00   10.00   -2.90   -9.40    2.84     .  .  0 "[    .    1    .    2    ]" 
        34 . 1  5 ILE CA 1  5 ILE C  1  6 ALA N  1  6 ALA CA  170.00 -170.00 -175.88  177.32 -171.82     .  .  0 "[    .    1    .    2    ]" 
        35 . 1  5 ILE O  1  5 ILE C  1  6 ALA N  1  6 ALA H   170.00 -170.00 -169.26 -169.21 -169.23  0.97 10  0 "[    .    1    .    2    ]" 
        36 . 1  5 ILE CA 1  5 ILE C  1  6 ALA N  1  6 ALA H   -10.00   10.00    9.93   10.31   10.27  0.47  3  0 "[    .    1    .    2    ]" 
        37 . 1  5 ILE O  1  5 ILE C  1  6 ALA N  1  6 ALA CA  -10.00   10.00    4.94    0.67    8.65     .  .  0 "[    .    1    .    2    ]" 
        38 . 1  6 ALA CA 1  6 ALA C  1  7 GLU N  1  7 GLU CA  170.00 -170.00 -172.46 -170.22 -170.58  3.20 23  0 "[    .    1    .    2    ]" 
        39 . 1  6 ALA O  1  6 ALA C  1  7 GLU N  1  7 GLU H   170.00 -170.00  172.11  169.55 -173.95  0.45 21  0 "[    .    1    .    2    ]" 
        40 . 1  6 ALA CA 1  6 ALA C  1  7 GLU N  1  7 GLU H   -10.00   10.00   -8.18  -10.11  -10.15  0.26 13  0 "[    .    1    .    2    ]" 
        41 . 1  6 ALA O  1  6 ALA C  1  7 GLU N  1  7 GLU CA  -10.00   10.00    7.82   10.19   10.13  0.79 21  0 "[    .    1    .    2    ]" 
        42 . 1  7 GLU CA 1  7 GLU C  1  8 ASP N  1  8 ASP CA  170.00 -170.00  167.65  163.90  169.64  6.10 23  2 "[    .    1    .  - 2  + ]" 
        43 . 1  7 GLU O  1  7 GLU C  1  8 ASP N  1  8 ASP H   170.00 -170.00  179.48  179.11  179.05     .  .  0 "[    .    1    .    2    ]" 
        44 . 1  7 GLU CA 1  7 GLU C  1  8 ASP N  1  8 ASP H   -10.00   10.00   -3.06   -7.44   -1.02     .  .  0 "[    .    1    .    2    ]" 
        45 . 1  7 GLU O  1  7 GLU C  1  8 ASP N  1  8 ASP CA  -10.00   10.00   -9.81  -10.88   -7.63  0.88 13  0 "[    .    1    .    2    ]" 
        46 . 1  8 ASP CA 1  8 ASP C  1  9 TYR N  1  9 TYR CA  170.00 -170.00 -170.51 -171.20  168.35  3.61 18  0 "[    .    1    .    2    ]" 
        47 . 1  8 ASP O  1  8 ASP C  1  9 TYR N  1  9 TYR H   170.00 -170.00 -171.14 -170.00 -170.43  0.24  3  0 "[    .    1    .    2    ]" 
        48 . 1  8 ASP CA 1  8 ASP C  1  9 TYR N  1  9 TYR H   -10.00   10.00   10.33    8.91    7.25  0.86 18  0 "[    .    1    .    2    ]" 
        49 . 1  8 ASP O  1  8 ASP C  1  9 TYR N  1  9 TYR CA  -10.00   10.00    8.00    8.21  -10.07  0.63 11  0 "[    .    1    .    2    ]" 
        50 . 1  9 TYR CA 1  9 TYR C  1 10 GLY N  1 10 GLY CA  170.00 -170.00  169.20  166.69  178.75  3.31  9  0 "[    .    1    .    2    ]" 
        51 . 1  9 TYR O  1  9 TYR C  1 10 GLY N  1 10 GLY H   170.00 -170.00  176.67  179.10  178.62     .  .  0 "[    .    1    .    2    ]" 
        52 . 1  9 TYR CA 1  9 TYR C  1 10 GLY N  1 10 GLY H   -10.00   10.00   -7.40   -5.15   -5.36  0.37  8  0 "[    .    1    .    2    ]" 
        53 . 1  9 TYR O  1  9 TYR C  1 10 GLY N  1 10 GLY CA  -10.00   10.00   -6.74   -9.07    0.60     .  .  0 "[    .    1    .    2    ]" 
        54 . 1 10 GLY CA 1 10 GLY C  1 11 LYS N  1 11 LYS CA  170.00 -170.00 -176.85 -173.31  169.82  2.53 20  0 "[    .    1    .    2    ]" 
        55 . 1 10 GLY O  1 10 GLY C  1 11 LYS N  1 11 LYS H   170.00 -170.00 -170.45 -169.71 -169.78  0.59 16  0 "[    .    1    .    2    ]" 
        56 . 1 10 GLY CA 1 10 GLY C  1 11 LYS N  1 11 LYS H   -10.00   10.00    9.38   10.06    9.90  0.69  3  0 "[    .    1    .    2    ]" 
        57 . 1 10 GLY O  1 10 GLY C  1 11 LYS N  1 11 LYS CA  -10.00   10.00    3.32    6.64  -10.27  1.67 20  0 "[    .    1    .    2    ]" 
        58 . 1 11 LYS CA 1 11 LYS C  1 12 CYS N  1 12 CYS CA  170.00 -170.00 -175.77  169.94 -168.70  1.30 19  0 "[    .    1    .    2    ]" 
        59 . 1 11 LYS O  1 11 LYS C  1 12 CYS N  1 12 CYS H   170.00 -170.00 -170.12 -173.87 -169.13  0.87 15  0 "[    .    1    .    2    ]" 
        60 . 1 11 LYS CA 1 11 LYS C  1 12 CYS N  1 12 CYS H   -10.00   10.00    9.71   10.16   10.10  0.68  6  0 "[    .    1    .    2    ]" 
        61 . 1 11 LYS O  1 11 LYS C  1 12 CYS N  1 12 CYS CA  -10.00   10.00    4.40   -7.62   10.31  0.31  6  0 "[    .    1    .    2    ]" 
        62 . 1 12 CYS CA 1 12 CYS C  1 13 THR N  1 13 THR CA  170.00 -170.00  172.85  168.05 -176.33  1.95  8  0 "[    .    1    .    2    ]" 
        63 . 1 12 CYS O  1 12 CYS C  1 13 THR N  1 13 THR H   170.00 -170.00  178.40  179.92  179.11     .  .  0 "[    .    1    .    2    ]" 
        64 . 1 12 CYS CA 1 12 CYS C  1 13 THR N  1 13 THR H   -10.00   10.00   -1.24   -2.27   -3.68     .  .  0 "[    .    1    .    2    ]" 
        65 . 1 12 CYS O  1 12 CYS C  1 13 THR N  1 13 THR CA  -10.00   10.00   -7.51  -10.35    1.34  0.35 23  0 "[    .    1    .    2    ]" 
        66 . 1 13 THR CA 1 13 THR C  1 14 TRP N  1 14 TRP CA  170.00 -170.00  168.91  168.82  168.73  1.75 10  0 "[    .    1    .    2    ]" 
        67 . 1 13 THR O  1 13 THR C  1 14 TRP N  1 14 TRP H   170.00 -170.00 -173.40 -179.90 -168.82  1.18 16  0 "[    .    1    .    2    ]" 
        68 . 1 13 THR CA 1 13 THR C  1 14 TRP N  1 14 TRP H   -10.00   10.00    3.10   -4.49   10.59  0.59  1  0 "[    .    1    .    2    ]" 
        69 . 1 13 THR O  1 13 THR C  1 14 TRP N  1 14 TRP CA  -10.00   10.00   -7.59   -8.56   -9.72  0.75 16  0 "[    .    1    .    2    ]" 
        70 . 1 14 TRP CA 1 14 TRP C  1 15 GLY N  1 15 GLY CA  170.00 -170.00 -166.96 -167.83 -168.61  5.31 22  2 "[    .-   1    .    2 +  ]" 
        71 . 1 14 TRP O  1 14 TRP C  1 15 GLY N  1 15 GLY H   170.00 -170.00  178.22  178.06  172.13  0.06 11  0 "[    .    1    .    2    ]" 
        72 . 1 14 TRP CA 1 14 TRP C  1 15 GLY N  1 15 GLY H   -10.00   10.00    1.64    0.46   -5.76     .  .  0 "[    .    1    .    2    ]" 
        73 . 1 14 TRP O  1 14 TRP C  1 15 GLY N  1 15 GLY CA  -10.00   10.00    9.62    9.23    9.20  0.44  6  0 "[    .    1    .    2    ]" 
        74 . 1 15 GLY CA 1 15 GLY C  1 16 GLY N  1 16 GLY CA  170.00 -170.00 -170.31 -168.66  169.57  5.10  6  1 "[    .+   1    .    2    ]" 
        75 . 1 15 GLY O  1 15 GLY C  1 16 GLY N  1 16 GLY H   170.00 -170.00 -179.61  177.34 -171.45     .  .  0 "[    .    1    .    2    ]" 
        76 . 1 15 GLY CA 1 15 GLY C  1 16 GLY N  1 16 GLY H   -10.00   10.00    2.44    0.59    7.51     .  .  0 "[    .    1    .    2    ]" 
        77 . 1 15 GLY O  1 15 GLY C  1 16 GLY N  1 16 GLY CA  -10.00   10.00    7.62    9.68   -9.92  0.31  6  0 "[    .    1    .    2    ]" 
        78 . 1 16 GLY CA 1 16 GLY C  1 17 THR N  1 17 THR CA  170.00 -170.00  169.65  167.27  178.28  2.73 10  0 "[    .    1    .    2    ]" 
        79 . 1 16 GLY O  1 16 GLY C  1 17 THR N  1 17 THR H   170.00 -170.00  171.57  170.60  170.27  0.01  1  0 "[    .    1    .    2    ]" 
        80 . 1 16 GLY CA 1 16 GLY C  1 17 THR N  1 17 THR H   -10.00   10.00   -9.88  -10.26  -10.36  0.40 16  0 "[    .    1    .    2    ]" 
        81 . 1 16 GLY O  1 16 GLY C  1 17 THR N  1 17 THR CA  -10.00   10.00   -8.90  -10.20   -0.96  0.20  9  0 "[    .    1    .    2    ]" 
        82 . 1 17 THR CA 1 17 THR C  1 18 LYS N  1 18 LYS CA  170.00 -170.00  168.69  167.90  169.23  2.10 19  0 "[    .    1    .    2    ]" 
        83 . 1 17 THR O  1 17 THR C  1 18 LYS N  1 18 LYS H   170.00 -170.00 -173.34 -173.64 -174.12  0.09  6  0 "[    .    1    .    2    ]" 
        84 . 1 17 THR CA 1 17 THR C  1 18 LYS N  1 18 LYS H   -10.00   10.00    5.72    5.67    5.19     .  .  0 "[    .    1    .    2    ]" 
        85 . 1 17 THR O  1 17 THR C  1 18 LYS N  1 18 LYS CA  -10.00   10.00  -10.38  -10.61   -9.77  0.61  3  0 "[    .    1    .    2    ]" 
        86 . 1 18 LYS CA 1 18 LYS C  1 19 CYS N  1 19 CYS CA  170.00 -170.00 -170.74 -172.11 -174.34  1.45  7  0 "[    .    1    .    2    ]" 
        87 . 1 18 LYS O  1 18 LYS C  1 19 CYS N  1 19 CYS H   170.00 -170.00 -171.15 -170.48 -170.69  0.16 20  0 "[    .    1    .    2    ]" 
        88 . 1 18 LYS CA 1 18 LYS C  1 19 CYS N  1 19 CYS H   -10.00   10.00   10.41   10.42   10.37  1.06 23  0 "[    .    1    .    2    ]" 
        89 . 1 18 LYS O  1 18 LYS C  1 19 CYS N  1 19 CYS CA  -10.00   10.00    7.70    9.42    8.50  0.33 20  0 "[    .    1    .    2    ]" 
        90 . 1 19 CYS CA 1 19 CYS C  1 20 CYS N  1 20 CYS CA  170.00 -170.00 -164.38 -167.35 -163.39  6.61 14 21 "[* *-*****1***+******** *]" 
        91 . 1 19 CYS O  1 19 CYS C  1 20 CYS N  1 20 CYS H   170.00 -170.00 -179.69 -176.92 -178.99     .  .  0 "[    .    1    .    2    ]" 
        92 . 1 19 CYS CA 1 19 CYS C  1 20 CYS N  1 20 CYS H   -10.00   10.00    5.70    8.89    6.93     .  .  0 "[    .    1    .    2    ]" 
        93 . 1 19 CYS O  1 19 CYS C  1 20 CYS N  1 20 CYS CA  -10.00   10.00   10.24    7.35   10.85  0.85 10  0 "[    .    1    .    2    ]" 
        94 . 1 20 CYS CA 1 20 CYS C  1 21 ARG N  1 21 ARG CA  170.00 -170.00 -174.65 -173.80 -176.47  3.32 23  0 "[    .    1    .    2    ]" 
        95 . 1 20 CYS O  1 20 CYS C  1 21 ARG N  1 21 ARG H   170.00 -170.00 -172.58  169.52 -170.05  0.48 23  0 "[    .    1    .    2    ]" 
        96 . 1 20 CYS CA 1 20 CYS C  1 21 ARG N  1 21 ARG H   -10.00   10.00    9.12   11.29   11.07  1.50  2  0 "[    .    1    .    2    ]" 
        97 . 1 20 CYS O  1 20 CYS C  1 21 ARG N  1 21 ARG CA  -10.00   10.00    3.65    4.30    1.92  3.18 10  0 "[    .    1    .    2    ]" 
        98 . 1 21 ARG CA 1 21 ARG C  1 22 GLY N  1 22 GLY CA  170.00 -170.00 -176.95  169.93 -169.19  0.81 15  0 "[    .    1    .    2    ]" 
        99 . 1 21 ARG O  1 21 ARG C  1 22 GLY N  1 22 GLY H   170.00 -170.00  171.04  178.46  172.10  0.44 15  0 "[    .    1    .    2    ]" 
       100 . 1 21 ARG CA 1 21 ARG C  1 22 GLY N  1 22 GLY H   -10.00   10.00  -10.64   -6.24  -10.27  1.98 10  0 "[    .    1    .    2    ]" 
       101 . 1 21 ARG O  1 21 ARG C  1 22 GLY N  1 22 GLY CA  -10.00   10.00    4.72   -5.37   10.65  0.65 15  0 "[    .    1    .    2    ]" 
       102 . 1 22 GLY CA 1 22 GLY C  1 23 ARG N  1 23 ARG CA  170.00 -170.00 -171.49  170.18 -168.45  1.55 16  0 "[    .    1    .    2    ]" 
       103 . 1 22 GLY O  1 22 GLY C  1 23 ARG N  1 23 ARG H   170.00 -170.00  172.54 -176.68  177.79  0.08 22  0 "[    .    1    .    2    ]" 
       104 . 1 22 GLY CA 1 22 GLY C  1 23 ARG N  1 23 ARG H   -10.00   10.00   -6.69    2.56    0.09  0.22 23  0 "[    .    1    .    2    ]" 
       105 . 1 22 GLY O  1 22 GLY C  1 23 ARG N  1 23 ARG CA  -10.00   10.00    7.73   -7.26   10.05  0.05 16  0 "[    .    1    .    2    ]" 
       106 . 1 23 ARG CA 1 23 ARG C  1 24 PRO N  1 24 PRO CA  170.00 -170.00 -179.99  168.95 -170.09  1.05  2  0 "[    .    1    .    2    ]" 
       107 . 1 23 ARG O  1 23 ARG C  1 24 PRO N  1 24 PRO CD  170.00 -170.00  175.98  169.72 -177.86  0.28 22  0 "[    .    1    .    2    ]" 
       108 . 1 23 ARG CA 1 23 ARG C  1 24 PRO N  1 24 PRO CD  -10.00   10.00   -5.60  -10.55    2.47  0.55  3  0 "[    .    1    .    2    ]" 
       109 . 1 23 ARG O  1 23 ARG C  1 24 PRO N  1 24 PRO CA  -10.00   10.00    1.59  -10.13    9.98  0.13  2  0 "[    .    1    .    2    ]" 
       110 . 1 24 PRO CA 1 24 PRO C  1 25 CYS N  1 25 CYS CA  170.00 -170.00  177.55  176.66  174.98  0.28  7  0 "[    .    1    .    2    ]" 
       111 . 1 24 PRO O  1 24 PRO C  1 25 CYS N  1 25 CYS H   170.00 -170.00  179.85  173.10 -174.33     .  .  0 "[    .    1    .    2    ]" 
       112 . 1 24 PRO CA 1 24 PRO C  1 25 CYS N  1 25 CYS H   -10.00   10.00   -0.05   -4.69    3.27     .  .  0 "[    .    1    .    2    ]" 
       113 . 1 24 PRO O  1 24 PRO C  1 25 CYS N  1 25 CYS CA  -10.00   10.00   -2.55   -4.32   -5.21     .  .  0 "[    .    1    .    2    ]" 
       114 . 1 25 CYS CA 1 25 CYS C  1 26 ARG N  1 26 ARG CA  170.00 -170.00  174.60  169.53 -173.21  0.47 15  0 "[    .    1    .    2    ]" 
       115 . 1 25 CYS O  1 25 CYS C  1 26 ARG N  1 26 ARG H   170.00 -170.00 -170.18 -172.19 -169.47  0.53 12  0 "[    .    1    .    2    ]" 
       116 . 1 25 CYS CA 1 25 CYS C  1 26 ARG N  1 26 ARG H   -10.00   10.00   10.05    9.25   10.88  0.88 20  0 "[    .    1    .    2    ]" 
       117 . 1 25 CYS O  1 25 CYS C  1 26 ARG N  1 26 ARG CA  -10.00   10.00   -5.63  -10.21    4.14  0.21 12  0 "[    .    1    .    2    ]" 
       118 . 1 26 ARG CA 1 26 ARG C  1 27 CYS N  1 27 CYS CA  170.00 -170.00 -169.39 -168.44 -168.47  2.45 12  0 "[    .    1    .    2    ]" 
       119 . 1 26 ARG O  1 26 ARG C  1 27 CYS N  1 27 CYS H   170.00 -170.00  178.62  178.38  178.31     .  .  0 "[    .    1    .    2    ]" 
       120 . 1 26 ARG CA 1 26 ARG C  1 27 CYS N  1 27 CYS H   -10.00   10.00   -0.18   -0.19   -0.27     .  .  0 "[    .    1    .    2    ]" 
       121 . 1 26 ARG O  1 26 ARG C  1 27 CYS N  1 27 CYS CA  -10.00   10.00    9.41  -10.67   10.70  0.70  6  0 "[    .    1    .    2    ]" 
       122 . 1 27 CYS CA 1 27 CYS C  1 28 SER N  1 28 SER CA  170.00 -170.00  176.12  172.14  169.98  0.73  1  0 "[    .    1    .    2    ]" 
       123 . 1 27 CYS O  1 27 CYS C  1 28 SER N  1 28 SER H   170.00 -170.00 -179.41  176.11 -170.49     .  .  0 "[    .    1    .    2    ]" 
       124 . 1 27 CYS CA 1 27 CYS C  1 28 SER N  1 28 SER H   -10.00   10.00    0.16   -5.04   10.54  0.54  6  0 "[    .    1    .    2    ]" 
       125 . 1 27 CYS O  1 27 CYS C  1 28 SER N  1 28 SER CA  -10.00   10.00   -3.44   -6.08   -7.43     .  .  0 "[    .    1    .    2    ]" 
       126 . 1 28 SER CA 1 28 SER C  1 29 MET N  1 29 MET CA  170.00 -170.00 -174.77  169.85 -169.92  0.15 21  0 "[    .    1    .    2    ]" 
       127 . 1 28 SER O  1 28 SER C  1 29 MET N  1 29 MET H   170.00 -170.00 -171.37 -173.63 -169.88  0.12 21  0 "[    .    1    .    2    ]" 
       128 . 1 28 SER CA 1 28 SER C  1 29 MET N  1 29 MET H   -10.00   10.00   10.49   10.52   10.52  0.80 22  0 "[    .    1    .    2    ]" 
       129 . 1 28 SER O  1 28 SER C  1 29 MET N  1 29 MET CA  -10.00   10.00    3.36  -10.09    7.34  0.09 21  0 "[    .    1    .    2    ]" 
       130 . 1 29 MET CA 1 29 MET C  1 30 ILE N  1 30 ILE CA  170.00 -170.00  176.71  169.23 -177.44  0.77 21  0 "[    .    1    .    2    ]" 
       131 . 1 29 MET O  1 29 MET C  1 30 ILE N  1 30 ILE H   170.00 -170.00 -174.47 -172.52 -172.83  1.22 21  0 "[    .    1    .    2    ]" 
       132 . 1 29 MET CA 1 29 MET C  1 30 ILE N  1 30 ILE H   -10.00   10.00    5.34    7.44    7.35  1.28 21  0 "[    .    1    .    2    ]" 
       133 . 1 29 MET O  1 29 MET C  1 30 ILE N  1 30 ILE CA  -10.00   10.00   -3.10  -10.83    1.99  0.83 21  0 "[    .    1    .    2    ]" 
       134 . 1 30 ILE CA 1 30 ILE C  1 31 GLY N  1 31 GLY CA  170.00 -170.00 -173.69 -172.60 -174.28  0.42 16  0 "[    .    1    .    2    ]" 
       135 . 1 30 ILE O  1 30 ILE C  1 31 GLY N  1 31 GLY H   170.00 -170.00  175.40  173.09  172.14  0.56 21  0 "[    .    1    .    2    ]" 
       136 . 1 30 ILE CA 1 30 ILE C  1 31 GLY N  1 31 GLY H   -10.00   10.00   -4.30   -7.09   -8.52     .  .  0 "[    .    1    .    2    ]" 
       137 . 1 30 ILE O  1 30 ILE C  1 31 GLY N  1 31 GLY CA  -10.00   10.00    6.00    7.32    6.08     .  .  0 "[    .    1    .    2    ]" 
       138 . 1 31 GLY CA 1 31 GLY C  1 32 THR N  1 32 THR CA  170.00 -170.00  172.72  166.60 -169.81  3.40 21  0 "[    .    1    .    2    ]" 
       139 . 1 31 GLY O  1 31 GLY C  1 32 THR N  1 32 THR H   170.00 -170.00 -172.18 -170.82 -171.21  0.13  5  0 "[    .    1    .    2    ]" 
       140 . 1 31 GLY CA 1 31 GLY C  1 32 THR N  1 32 THR H   -10.00   10.00    8.31   -2.90   10.15  0.15 18  0 "[    .    1    .    2    ]" 
       141 . 1 31 GLY O  1 31 GLY C  1 32 THR N  1 32 THR CA  -10.00   10.00   -7.76  -10.59    8.54  0.59 21  0 "[    .    1    .    2    ]" 
       142 . 1 32 THR CA 1 32 THR C  1 33 ASN N  1 33 ASN CA  170.00 -170.00 -174.06 -174.55 -175.26  3.07 21  0 "[    .    1    .    2    ]" 
       143 . 1 32 THR O  1 32 THR C  1 33 ASN N  1 33 ASN H   170.00 -170.00  173.43  170.48  170.03  0.98 20  0 "[    .    1    .    2    ]" 
       144 . 1 32 THR CA 1 32 THR C  1 33 ASN N  1 33 ASN H   -10.00   10.00   -5.77   -8.30   -8.97  1.35 19  0 "[    .    1    .    2    ]" 
       145 . 1 32 THR O  1 32 THR C  1 33 ASN N  1 33 ASN CA  -10.00   10.00    5.13    4.82    3.88  0.78 21  0 "[    .    1    .    2    ]" 
       146 . 1 33 ASN CA 1 33 ASN C  1 34 CYS N  1 34 CYS CA  170.00 -170.00 -173.80  176.90 -169.52  0.48  7  0 "[    .    1    .    2    ]" 
       147 . 1 33 ASN O  1 33 ASN C  1 34 CYS N  1 34 CYS H   170.00 -170.00  170.37  170.34  169.89  0.46 20  0 "[    .    1    .    2    ]" 
       148 . 1 33 ASN CA 1 33 ASN C  1 34 CYS N  1 34 CYS H   -10.00   10.00   -9.83  -11.03   -8.60  1.03 20  0 "[    .    1    .    2    ]" 
       149 . 1 33 ASN O  1 33 ASN C  1 34 CYS N  1 34 CYS CA  -10.00   10.00    6.40   -3.17   10.50  0.50 22  0 "[    .    1    .    2    ]" 
       150 . 1 34 CYS CA 1 34 CYS C  1 35 GLU N  1 35 GLU CA  170.00 -170.00  173.26  171.44  169.95  1.86  1  0 "[    .    1    .    2    ]" 
       151 . 1 34 CYS O  1 34 CYS C  1 35 GLU N  1 35 GLU H   170.00 -170.00 -177.28  177.21 -170.53     .  .  0 "[    .    1    .    2    ]" 
       152 . 1 34 CYS CA 1 34 CYS C  1 35 GLU N  1 35 GLU H   -10.00   10.00    3.08   -2.85   10.13  0.13 12  0 "[    .    1    .    2    ]" 
       153 . 1 34 CYS O  1 34 CYS C  1 35 GLU N  1 35 GLU CA  -10.00   10.00   -7.09   -9.05   -9.99  0.46  1  0 "[    .    1    .    2    ]" 
       154 . 1 35 GLU CA 1 35 GLU C  1 36 CYS N  1 36 CYS CA  170.00 -170.00 -175.48 -174.71 -175.61  0.90  3  0 "[    .    1    .    2    ]" 
       155 . 1 35 GLU O  1 35 GLU C  1 36 CYS N  1 36 CYS H   170.00 -170.00 -169.63 -171.76 -168.74  1.26 15  0 "[    .    1    .    2    ]" 
       156 . 1 35 GLU CA 1 35 GLU C  1 36 CYS N  1 36 CYS H   -10.00   10.00   10.72   10.15   11.42  1.42 18  0 "[    .    1    .    2    ]" 
       157 . 1 35 GLU O  1 35 GLU C  1 36 CYS N  1 36 CYS CA  -10.00   10.00    4.17    7.60    6.67  0.16  3  0 "[    .    1    .    2    ]" 
       158 . 1 36 CYS CA 1 36 CYS C  1 37 THR N  1 37 THR CA  170.00 -170.00  176.41  167.99 -169.83  2.01 23  0 "[    .    1    .    2    ]" 
       159 . 1 36 CYS O  1 36 CYS C  1 37 THR N  1 37 THR H   170.00 -170.00  176.37  169.72 -176.49  0.28  9  0 "[    .    1    .    2    ]" 
       160 . 1 36 CYS CA 1 36 CYS C  1 37 THR N  1 37 THR H   -10.00   10.00   -2.73  -10.85    3.05  0.85  8  0 "[    .    1    .    2    ]" 
       161 . 1 36 CYS O  1 36 CYS C  1 37 THR N  1 37 THR CA  -10.00   10.00   -4.49  -10.67    7.52  0.67  8  0 "[    .    1    .    2    ]" 
       162 . 1 37 THR CA 1 37 THR C  1 38 PRO N  1 38 PRO CA  170.00 -170.00  177.43  168.86 -171.29  1.14  8  0 "[    .    1    .    2    ]" 
       163 . 1 37 THR O  1 37 THR C  1 38 PRO N  1 38 PRO CD  170.00 -170.00  175.92  170.47 -177.53     .  .  0 "[    .    1    .    2    ]" 
       164 . 1 37 THR CA 1 37 THR C  1 38 PRO N  1 38 PRO CD  -10.00   10.00   -5.80  -10.87    3.56  0.87 21  0 "[    .    1    .    2    ]" 
       165 . 1 37 THR O  1 37 THR C  1 38 PRO N  1 38 PRO CA  -10.00   10.00   -0.85   -9.37    8.24     .  .  0 "[    .    1    .    2    ]" 
       166 . 1 38 PRO CA 1 38 PRO C  1 39 ARG N  1 39 ARG CA  170.00 -170.00 -178.71 -172.98 -174.84  0.92  7  0 "[    .    1    .    2    ]" 
       167 . 1 38 PRO O  1 38 PRO C  1 39 ARG N  1 39 ARG H   170.00 -170.00 -179.48  179.19 -177.93     .  .  0 "[    .    1    .    2    ]" 
       168 . 1 38 PRO CA 1 38 PRO C  1 39 ARG N  1 39 ARG H   -10.00   10.00   -0.03    0.85    0.72     .  .  0 "[    .    1    .    2    ]" 
       169 . 1 38 PRO O  1 38 PRO C  1 39 ARG N  1 39 ARG CA  -10.00   10.00    1.83    6.34    3.41  0.31  9  0 "[    .    1    .    2    ]" 
       170 . 1 39 ARG CA 1 39 ARG C  1 40 LEU N  1 40 LEU CA  170.00 -170.00  179.13  169.16 -168.38  1.62 17  0 "[    .    1    .    2    ]" 
       171 . 1 39 ARG O  1 39 ARG C  1 40 LEU N  1 40 LEU H   170.00 -170.00 -179.82  178.91 -178.57     .  .  0 "[    .    1    .    2    ]" 
       172 . 1 39 ARG CA 1 39 ARG C  1 40 LEU N  1 40 LEU H   -10.00   10.00   -0.19   -3.48    3.86     .  .  0 "[    .    1    .    2    ]" 
       173 . 1 39 ARG O  1 39 ARG C  1 40 LEU N  1 40 LEU CA  -10.00   10.00   -0.50   -8.63    9.02     .  .  0 "[    .    1    .    2    ]" 
    stop_

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