NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
389717 1nti 5351 cing 4-filtered-FRED Wattos check violation dihedral angle


data_1nti


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              121
    _TA_constraint_stats_list.Viol_count                    85
    _TA_constraint_stats_list.Viol_total                    2183.10
    _TA_constraint_stats_list.Viol_max                      3.75
    _TA_constraint_stats_list.Viol_rms                      0.30
    _TA_constraint_stats_list.Viol_average_all_restraints   0.05
    _TA_constraint_stats_list.Viol_average_violations_only  1.28
    _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  2 GLN C   1  3 ALA N  1  3 ALA CA 1  3 ALA C   -97.00  -17.00  -52.38 -100.14  -31.03 3.14 10 0 "[    .    1    .    2]" 
         2 . 1  3 ALA C   1  4 GLU N  1  4 GLU CA 1  4 GLU C   -97.00  -17.00  -54.35  -58.07  -59.11    .  . 0 "[    .    1    .    2]" 
         3 . 1  4 GLU C   1  5 PHE N  1  5 PHE CA 1  5 PHE C   -97.00  -17.00  -69.01  -82.98  -30.02    .  . 0 "[    .    1    .    2]" 
         4 . 1  5 PHE C   1  6 ASP N  1  6 ASP CA 1  6 ASP C   -97.00  -17.00  -55.35  -51.69  -53.94    .  . 0 "[    .    1    .    2]" 
         5 . 1  6 ASP C   1  7 LYS N  1  7 LYS CA 1  7 LYS C   -97.00  -17.00  -52.52  -60.97  -46.83    .  . 0 "[    .    1    .    2]" 
         6 . 1  7 LYS C   1  8 ALA N  1  8 ALA CA 1  8 ALA C   -97.00  -17.00  -55.95  -59.11  -60.11    .  . 0 "[    .    1    .    2]" 
         7 . 1 10 GLU C   1 11 GLU N  1 11 GLU CA 1 11 GLU C   -97.00  -17.00  -59.56  -69.04  -48.91    .  . 0 "[    .    1    .    2]" 
         8 . 1 11 GLU C   1 12 VAL N  1 12 VAL CA 1 12 VAL C   -97.00  -17.00  -55.35  -52.85  -53.24    .  . 0 "[    .    1    .    2]" 
         9 . 1 12 VAL C   1 13 LYS N  1 13 LYS CA 1 13 LYS C   -97.00  -17.00  -54.10  -52.53  -53.78    .  . 0 "[    .    1    .    2]" 
        10 . 1 13 LYS C   1 14 HIS N  1 14 HIS CA 1 14 HIS C  -160.00  -80.00 -125.95 -140.04 -112.54    .  . 0 "[    .    1    .    2]" 
        11 . 1 14 HIS C   1 15 LEU N  1 15 LEU CA 1 15 LEU C   -97.00  -17.00  -63.50  -59.72  -61.42    .  . 0 "[    .    1    .    2]" 
        12 . 1 15 LEU C   1 16 LYS N  1 16 LYS CA 1 16 LYS C   -97.00  -17.00  -66.44  -65.68  -70.48 0.72  8 0 "[    .    1    .    2]" 
        13 . 1 16 LYS C   1 17 THR N  1 17 THR CA 1 17 THR C  -160.00  -80.00 -123.67 -150.63  -98.63    .  . 0 "[    .    1    .    2]" 
        14 . 1 17 THR C   1 18 LYS N  1 18 LYS CA 1 18 LYS C   -97.00  -17.00  -97.09  -98.73  -99.18 3.43 14 0 "[    .    1    .    2]" 
        15 . 1 19 PRO C   1 20 ALA N  1 20 ALA CA 1 20 ALA C   -97.00  -17.00  -77.23  -98.94  -37.09 1.94  5 0 "[    .    1    .    2]" 
        16 . 1 20 ALA C   1 21 ASP N  1 21 ASP CA 1 21 ASP C   -97.00  -17.00  -41.20  -58.86  -31.67    .  . 0 "[    .    1    .    2]" 
        17 . 1 21 ASP C   1 22 GLU N  1 22 GLU CA 1 22 GLU C   -97.00  -17.00  -51.90  -61.85  -44.02    .  . 0 "[    .    1    .    2]" 
        18 . 1 24 MET C   1 25 LEU N  1 25 LEU CA 1 25 LEU C   -97.00  -17.00  -61.34  -65.35  -66.62    .  . 0 "[    .    1    .    2]" 
        19 . 1 25 LEU C   1 26 PHE N  1 26 PHE CA 1 26 PHE C   -97.00  -17.00  -55.30  -51.12  -52.69    .  . 0 "[    .    1    .    2]" 
        20 . 1 26 PHE C   1 27 ILE N  1 27 ILE CA 1 27 ILE C   -97.00  -17.00  -54.62  -56.89  -57.92    .  . 0 "[    .    1    .    2]" 
        21 . 1 27 ILE C   1 28 TYR N  1 28 TYR CA 1 28 TYR C   -97.00  -17.00  -25.09  -32.54  -20.92    .  . 0 "[    .    1    .    2]" 
        22 . 1 28 TYR C   1 29 SER N  1 29 SER CA 1 29 SER C   -97.00  -17.00  -58.28  -59.15  -61.01    .  . 0 "[    .    1    .    2]" 
        23 . 1 29 SER C   1 30 HIS N  1 30 HIS CA 1 30 HIS C   -97.00  -17.00  -61.42  -71.60  -44.95    .  . 0 "[    .    1    .    2]" 
        24 . 1 30 HIS C   1 31 TYR N  1 31 TYR CA 1 31 TYR C   -97.00  -17.00  -67.48  -76.74  -59.19    .  . 0 "[    .    1    .    2]" 
        25 . 1 31 TYR C   1 32 LYS N  1 32 LYS CA 1 32 LYS C   -97.00  -17.00  -62.49  -64.19  -65.61    .  . 0 "[    .    1    .    2]" 
        26 . 1 32 LYS C   1 33 GLN N  1 33 GLN CA 1 33 GLN C   -97.00  -17.00  -58.48  -60.77  -62.57    .  . 0 "[    .    1    .    2]" 
        27 . 1 33 GLN C   1 34 ALA N  1 34 ALA CA 1 34 ALA C   -97.00  -17.00  -65.39  -54.14  -56.19 0.18 12 0 "[    .    1    .    2]" 
        28 . 1 34 ALA C   1 35 THR N  1 35 THR CA 1 35 THR C  -160.00  -80.00 -103.09  -90.40  -96.13 0.02 11 0 "[    .    1    .    2]" 
        29 . 1 35 THR C   1 36 VAL N  1 36 VAL CA 1 36 VAL C  -160.00  -80.00  -91.48 -114.13  -78.13 1.87  3 0 "[    .    1    .    2]" 
        30 . 1 37 GLY C   1 38 ASP N  1 38 ASP CA 1 38 ASP C   -97.00  -17.00  -56.17  -65.19  -70.81    .  . 0 "[    .    1    .    2]" 
        31 . 1 38 ASP C   1 39 ILE N  1 39 ILE CA 1 39 ILE C   -97.00  -17.00  -62.48  -44.56  -50.41 0.93 13 0 "[    .    1    .    2]" 
        32 . 1 39 ILE C   1 40 ASN N  1 40 ASN CA 1 40 ASN C  -160.00  -80.00 -117.74  -81.24  -98.11 1.66  2 0 "[    .    1    .    2]" 
        33 . 1 40 ASN C   1 41 THR N  1 41 THR CA 1 41 THR C  -160.00  -80.00 -124.36 -163.75  -77.24 3.75  5 0 "[    .    1    .    2]" 
        34 . 1 42 GLU C   1 43 ARG N  1 43 ARG CA 1 43 ARG C   -97.00  -17.00  -62.18  -72.09  -72.69 1.13 15 0 "[    .    1    .    2]" 
        35 . 1 45 GLY C   1 46 MET N  1 46 MET CA 1 46 MET C   -97.00  -17.00  -69.56 -100.29  -16.10 3.29 17 0 "[    .    1    .    2]" 
        36 . 1 46 MET C   1 47 LEU N  1 47 LEU CA 1 47 LEU C   -97.00  -17.00  -83.74  -99.05 -100.09 3.09  1 0 "[    .    1    .    2]" 
        37 . 1 49 PHE C   1 50 LYS N  1 50 LYS CA 1 50 LYS C   -97.00  -17.00  -56.59  -14.91  -16.75 2.09  2 0 "[    .    1    .    2]" 
        38 . 1 51 GLY C   1 52 LYS N  1 52 LYS CA 1 52 LYS C   -97.00  -17.00  -42.28  -35.04  -39.68    .  . 0 "[    .    1    .    2]" 
        39 . 1 52 LYS C   1 53 ALA N  1 53 ALA CA 1 53 ALA C   -97.00  -17.00  -57.60  -54.99  -56.13    .  . 0 "[    .    1    .    2]" 
        40 . 1 53 ALA C   1 54 LYS N  1 54 LYS CA 1 54 LYS C   -97.00  -17.00  -48.83  -80.08  -34.60    .  . 0 "[    .    1    .    2]" 
        41 . 1 54 LYS C   1 55 TRP N  1 55 TRP CA 1 55 TRP C   -97.00  -17.00  -62.69  -69.17  -56.57    .  . 0 "[    .    1    .    2]" 
        42 . 1 55 TRP C   1 56 ASP N  1 56 ASP CA 1 56 ASP C   -97.00  -17.00  -53.34  -54.59  -55.59    .  . 0 "[    .    1    .    2]" 
        43 . 1 56 ASP C   1 57 ALA N  1 57 ALA CA 1 57 ALA C   -97.00  -17.00  -56.27  -72.79  -52.30    .  . 0 "[    .    1    .    2]" 
        44 . 1 57 ALA C   1 58 TRP N  1 58 TRP CA 1 58 TRP C   -97.00  -17.00  -80.37  -95.98  -74.88    .  . 0 "[    .    1    .    2]" 
        45 . 1 58 TRP C   1 59 ASN N  1 59 ASN CA 1 59 ASN C   -97.00  -17.00  -43.62  -50.91  -29.95    .  . 0 "[    .    1    .    2]" 
        46 . 1 59 ASN C   1 60 GLU N  1 60 GLU CA 1 60 GLU C   -97.00  -17.00  -47.67  -63.10  -40.73    .  . 0 "[    .    1    .    2]" 
        47 . 1 60 GLU C   1 61 LEU N  1 61 LEU CA 1 61 LEU C  -160.00  -80.00  -98.47  -85.31  -85.72 0.50 10 0 "[    .    1    .    2]" 
        48 . 1 61 LEU C   1 62 LYS N  1 62 LYS CA 1 62 LYS C   -97.00  -17.00  -31.86  -27.03  -38.68 1.87  5 0 "[    .    1    .    2]" 
        49 . 1 64 THR C   1 65 SER N  1 65 SER CA 1 65 SER C   -97.00  -17.00  -76.61  -63.71  -66.89 2.61 20 0 "[    .    1    .    2]" 
        50 . 1 65 SER C   1 66 LYS N  1 66 LYS CA 1 66 LYS C   -97.00  -17.00  -57.10  -98.39  -31.52 1.39 15 0 "[    .    1    .    2]" 
        51 . 1 66 LYS C   1 67 GLU N  1 67 GLU CA 1 67 GLU C   -97.00  -17.00  -60.93  -77.08  -48.84    .  . 0 "[    .    1    .    2]" 
        52 . 1 67 GLU C   1 68 ASP N  1 68 ASP CA 1 68 ASP C   -97.00  -17.00  -58.97  -62.23  -63.34    .  . 0 "[    .    1    .    2]" 
        53 . 1 68 ASP C   1 69 ALA N  1 69 ALA CA 1 69 ALA C   -97.00  -17.00  -57.59  -66.00  -52.70    .  . 0 "[    .    1    .    2]" 
        54 . 1 69 ALA C   1 70 MET N  1 70 MET CA 1 70 MET C   -97.00  -17.00  -48.13  -46.15  -47.54    .  . 0 "[    .    1    .    2]" 
        55 . 1 70 MET C   1 71 LYS N  1 71 LYS CA 1 71 LYS C   -97.00  -17.00  -50.90  -66.25  -43.24    .  . 0 "[    .    1    .    2]" 
        56 . 1 71 LYS C   1 72 ALA N  1 72 ALA CA 1 72 ALA C   -97.00  -17.00  -50.78  -51.26  -52.51    .  . 0 "[    .    1    .    2]" 
        57 . 1 72 ALA C   1 73 TYR N  1 73 TYR CA 1 73 TYR C   -97.00  -17.00  -59.66  -60.45  -62.02    .  . 0 "[    .    1    .    2]" 
        58 . 1 73 TYR C   1 74 ILE N  1 74 ILE CA 1 74 ILE C   -97.00  -17.00  -51.94  -52.05  -54.44    .  . 0 "[    .    1    .    2]" 
        59 . 1 74 ILE C   1 75 ASP N  1 75 ASP CA 1 75 ASP C   -97.00  -17.00  -56.64  -59.52  -61.06    .  . 0 "[    .    1    .    2]" 
        60 . 1 75 ASP C   1 76 LYS N  1 76 LYS CA 1 76 LYS C   -97.00  -17.00  -51.26  -67.12  -34.39    .  . 0 "[    .    1    .    2]" 
        61 . 1 76 LYS C   1 77 VAL N  1 77 VAL CA 1 77 VAL C   -97.00  -17.00  -63.32  -75.43  -54.00    .  . 0 "[    .    1    .    2]" 
        62 . 1 77 VAL C   1 78 GLU N  1 78 GLU CA 1 78 GLU C   -97.00  -17.00  -47.97  -52.81  -57.75    .  . 0 "[    .    1    .    2]" 
        63 . 1 78 GLU C   1 79 GLU N  1 79 GLU CA 1 79 GLU C   -97.00  -17.00  -60.83  -70.24  -51.80    .  . 0 "[    .    1    .    2]" 
        64 . 1 79 GLU C   1 80 LEU N  1 80 LEU CA 1 80 LEU C   -97.00  -17.00  -49.04  -63.72  -39.50    .  . 0 "[    .    1    .    2]" 
        65 . 1 80 LEU C   1 81 LYS N  1 81 LYS CA 1 81 LYS C   -97.00  -17.00  -68.26  -71.38  -72.06    .  . 0 "[    .    1    .    2]" 
        66 . 1 81 LYS C   1 82 LYS N  1 82 LYS CA 1 82 LYS C   -97.00  -17.00  -64.82  -74.54  -53.67    .  . 0 "[    .    1    .    2]" 
        67 . 1 82 LYS C   1 83 LYS N  1 83 LYS CA 1 83 LYS C   -97.00  -17.00  -67.08  -63.67  -68.19    .  . 0 "[    .    1    .    2]" 
        68 . 1 83 LYS C   1 84 TYR N  1 84 TYR CA 1 84 TYR C  -160.00  -80.00 -101.37 -120.00  -79.06 0.94 20 0 "[    .    1    .    2]" 
        69 . 1 85 GLY C   1 86 ILE N  1 86 ILE CA 1 86 ILE C  -160.00  -80.00 -135.52 -110.41 -114.21 1.80  8 0 "[    .    1    .    2]" 
        70 . 1  5 PHE CG  1  5 PHE CB 1  5 PHE CA 1  5 PHE N   120.00 -120.00  171.88  161.96 -177.99    .  . 0 "[    .    1    .    2]" 
        71 . 1  6 ASP CG  1  6 ASP CB 1  6 ASP CA 1  6 ASP N  -120.00    0.00  -67.98  -50.83  -52.92    .  . 0 "[    .    1    .    2]" 
        72 . 1  7 LYS CG  1  7 LYS CB 1  7 LYS CA 1  7 LYS N   120.00 -120.00 -174.80  168.37 -149.95    .  . 0 "[    .    1    .    2]" 
        73 . 1 11 GLU CG  1 11 GLU CB 1 11 GLU CA 1 11 GLU N  -120.00    0.00  -78.95  -95.65 -107.80    .  . 0 "[    .    1    .    2]" 
        74 . 1 12 VAL CG1 1 12 VAL CB 1 12 VAL CA 1 12 VAL N     0.00  120.00  103.03   87.16  113.26    .  . 0 "[    .    1    .    2]" 
        75 . 1 14 HIS CG  1 14 HIS CB 1 14 HIS CA 1 14 HIS N   120.00    0.00  -67.97  -64.20  -64.47    .  . 0 "[    .    1    .    2]" 
        76 . 1 15 LEU CG  1 15 LEU CB 1 15 LEU CA 1 15 LEU N  -120.00    0.00  -67.72  -73.62  -74.74    .  . 0 "[    .    1    .    2]" 
        77 . 1 17 THR OG1 1 17 THR CB 1 17 THR CA 1 17 THR N  -120.00    0.00  -56.48  -72.31  -39.95    .  . 0 "[    .    1    .    2]" 
        78 . 1 23 GLU CG  1 23 GLU CB 1 23 GLU CA 1 23 GLU N  -120.00    0.00  -75.05 -121.69  -49.49 1.69 15 0 "[    .    1    .    2]" 
        79 . 1 25 LEU CG  1 25 LEU CB 1 25 LEU CA 1 25 LEU N  -120.00    0.00  -83.37  -95.59  -70.86    .  . 0 "[    .    1    .    2]" 
        80 . 1 26 PHE CG  1 26 PHE CB 1 26 PHE CA 1 26 PHE N   120.00 -120.00 -175.90  178.25  160.02    .  . 0 "[    .    1    .    2]" 
        81 . 1 27 ILE CG1 1 27 ILE CB 1 27 ILE CA 1 27 ILE N  -120.00    0.00  -76.54  -88.76  -63.20    .  . 0 "[    .    1    .    2]" 
        82 . 1 28 TYR CG  1 28 TYR CB 1 28 TYR CA 1 28 TYR N   120.00 -120.00 -171.00  176.21 -163.36    .  . 0 "[    .    1    .    2]" 
        83 . 1 29 SER OG  1 29 SER CB 1 29 SER CA 1 29 SER N     0.00  120.00   62.98   65.99   65.15    .  . 0 "[    .    1    .    2]" 
        84 . 1 30 HIS CG  1 30 HIS CB 1 30 HIS CA 1 30 HIS N  -120.00    0.00  -74.67  -71.56  -75.64    .  . 0 "[    .    1    .    2]" 
        85 . 1 31 TYR CG  1 31 TYR CB 1 31 TYR CA 1 31 TYR N   120.00 -120.00 -178.44 -175.99 -176.72    .  . 0 "[    .    1    .    2]" 
        86 . 1 32 LYS CG  1 32 LYS CB 1 32 LYS CA 1 32 LYS N  -120.00    0.00  -66.45  -64.97  -65.62    .  . 0 "[    .    1    .    2]" 
        87 . 1 35 THR OG1 1 35 THR CB 1 35 THR CA 1 35 THR N     0.00  120.00   60.93   49.89   67.53    .  . 0 "[    .    1    .    2]" 
        88 . 1 36 VAL CG1 1 36 VAL CB 1 36 VAL CA 1 36 VAL N   120.00 -120.00 -179.82  176.89  174.91    .  . 0 "[    .    1    .    2]" 
        89 . 1 38 ASP CG  1 38 ASP CB 1 38 ASP CA 1 38 ASP N  -120.00    0.00  -50.96  -86.26  -22.84    .  . 0 "[    .    1    .    2]" 
        90 . 1 39 ILE CG1 1 39 ILE CB 1 39 ILE CA 1 39 ILE N   120.00 -120.00 -162.72 -169.86 -155.42    .  . 0 "[    .    1    .    2]" 
        91 . 1 41 THR OG1 1 41 THR CB 1 41 THR CA 1 41 THR N     0.00  120.00   53.10    2.66   77.65    .  . 0 "[    .    1    .    2]" 
        92 . 1 43 ARG CG  1 43 ARG CB 1 43 ARG CA 1 43 ARG N   120.00 -120.00 -169.76 -161.82 -165.60 3.50 14 0 "[    .    1    .    2]" 
        93 . 1 55 TRP CG  1 55 TRP CB 1 55 TRP CA 1 55 TRP N   120.00 -120.00 -167.07  178.90 -160.72    .  . 0 "[    .    1    .    2]" 
        94 . 1 56 ASP CG  1 56 ASP CB 1 56 ASP CA 1 56 ASP N  -120.00    0.00  -80.72  -95.72  -64.75    .  . 0 "[    .    1    .    2]" 
        95 . 1 58 TRP CG  1 58 TRP CB 1 58 TRP CA 1 58 TRP N   120.00 -120.00  170.89  171.05  170.22    .  . 0 "[    .    1    .    2]" 
        96 . 1 59 ASN CG  1 59 ASN CB 1 59 ASN CA 1 59 ASN N   120.00 -120.00  165.71  150.49 -171.74    .  . 0 "[    .    1    .    2]" 
        97 . 1 61 LEU CG  1 61 LEU CB 1 61 LEU CA 1 61 LEU N  -120.00    0.00  -51.77  -48.68  -49.94    .  . 0 "[    .    1    .    2]" 
        98 . 1 62 LYS CG  1 62 LYS CB 1 62 LYS CA 1 62 LYS N   120.00 -120.00  179.92  179.93  176.78    .  . 0 "[    .    1    .    2]" 
        99 . 1 64 THR OG1 1 64 THR CB 1 64 THR CA 1 64 THR N  -120.00    0.00  -71.93 -104.69  -55.03    .  . 0 "[    .    1    .    2]" 
       100 . 1 67 GLU CG  1 67 GLU CB 1 67 GLU CA 1 67 GLU N  -120.00    0.00  -81.33  -88.87  -94.06    .  . 0 "[    .    1    .    2]" 
       101 . 1 68 ASP CG  1 68 ASP CB 1 68 ASP CA 1 68 ASP N  -120.00    0.00  -73.81  -72.90  -74.71    .  . 0 "[    .    1    .    2]" 
       102 . 1 70 MET CG  1 70 MET CB 1 70 MET CA 1 70 MET N  -120.00    0.00  -78.96  -85.50  -71.35    .  . 0 "[    .    1    .    2]" 
       103 . 1 73 TYR CG  1 73 TYR CB 1 73 TYR CA 1 73 TYR N   120.00 -120.00 -177.71 -178.80  179.77    .  . 0 "[    .    1    .    2]" 
       104 . 1 74 ILE CG1 1 74 ILE CB 1 74 ILE CA 1 74 ILE N  -120.00    0.00  -67.27  -77.03  -61.60    .  . 0 "[    .    1    .    2]" 
       105 . 1 75 ASP CG  1 75 ASP CB 1 75 ASP CA 1 75 ASP N  -120.00    0.00  -77.02  -93.74  -65.00    .  . 0 "[    .    1    .    2]" 
       106 . 1 76 LYS CG  1 76 LYS CB 1 76 LYS CA 1 76 LYS N   120.00 -120.00 -140.22  178.26 -119.18 0.82 20 0 "[    .    1    .    2]" 
       107 . 1 77 VAL CG1 1 77 VAL CB 1 77 VAL CA 1 77 VAL N   120.00 -120.00  175.11  168.44  165.36    .  . 0 "[    .    1    .    2]" 
       108 . 1 79 GLU CG  1 79 GLU CB 1 79 GLU CA 1 79 GLU N  -120.00    0.00  -72.74  -95.76  -52.58    .  . 0 "[    .    1    .    2]" 
       109 . 1 80 LEU CG  1 80 LEU CB 1 80 LEU CA 1 80 LEU N  -120.00    0.00  -64.56  -81.13  -51.61    .  . 0 "[    .    1    .    2]" 
       110 . 1 81 LYS CG  1 81 LYS CB 1 81 LYS CA 1 81 LYS N   120.00 -120.00  176.48  152.73 -169.03    .  . 0 "[    .    1    .    2]" 
       111 . 1 83 LYS CG  1 83 LYS CB 1 83 LYS CA 1 83 LYS N   120.00 -120.00 -165.28 -160.60 -164.61    .  . 0 "[    .    1    .    2]" 
       112 . 1 84 TYR CG  1 84 TYR CB 1 84 TYR CA 1 84 TYR N  -120.00    0.00  -68.22  -79.98  -42.09    .  . 0 "[    .    1    .    2]" 
       113 . 1 86 ILE CG1 1 86 ILE CB 1 86 ILE CA 1 86 ILE N   120.00 -120.00 -170.56  175.11 -151.30    .  . 0 "[    .    1    .    2]" 
       114 . 1 15 LEU CD1 1 15 LEU CG 1 15 LEU CB 1 15 LEU CA  120.00 -120.00  174.95  164.70 -169.52    .  . 0 "[    .    1    .    2]" 
       115 . 1 25 LEU CD1 1 25 LEU CG 1 25 LEU CB 1 25 LEU CA  120.00 -120.00  169.68  160.68 -169.40    .  . 0 "[    .    1    .    2]" 
       116 . 1 32 LYS CD  1 32 LYS CG 1 32 LYS CB 1 32 LYS CA -120.00    0.00  -58.24  -82.04  -45.09    .  . 0 "[    .    1    .    2]" 
       117 . 1 43 ARG CD  1 43 ARG CG 1 43 ARG CB 1 43 ARG CA  120.00 -120.00 -176.72  165.95 -120.56    .  . 0 "[    .    1    .    2]" 
       118 . 1 61 LEU CD1 1 61 LEU CG 1 61 LEU CB 1 61 LEU CA  120.00 -120.00  179.08  170.84 -170.53    .  . 0 "[    .    1    .    2]" 
       119 . 1 70 MET SD  1 70 MET CG 1 70 MET CB 1 70 MET CA  120.00 -120.00 -173.47  174.74  170.30    .  . 0 "[    .    1    .    2]" 
       120 . 1 80 LEU CD1 1 80 LEU CG 1 80 LEU CB 1 80 LEU CA  120.00 -120.00 -175.70  174.28 -168.78    .  . 0 "[    .    1    .    2]" 
       121 . 1 43 ARG NE  1 43 ARG CD 1 43 ARG CG 1 43 ARG CB  120.00 -120.00 -176.20  156.82 -159.25    .  . 0 "[    .    1    .    2]" 
    stop_

save_



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