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
476336 2kmv 16440 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2kmv


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              206
    _TA_constraint_stats_list.Viol_count                    516
    _TA_constraint_stats_list.Viol_total                    23931.92
    _TA_constraint_stats_list.Viol_max                      18.99
    _TA_constraint_stats_list.Viol_rms                      1.12
    _TA_constraint_stats_list.Viol_average_all_restraints   0.29
    _TA_constraint_stats_list.Viol_average_violations_only  2.32
    _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   6 GLY C 1   7 THR N  1   7 THR CA 1   7 THR C -149.00  -37.00 -108.91 -145.65  -48.68     .  . 0 "[    .    1    .    2]" 
         2 . 1   7 THR N 1   7 THR CA 1   7 THR C  1   8 PRO N   98.00  178.00  139.01  137.26  129.21  0.37  7 0 "[    .    1    .    2]" 
         3 . 1   7 THR N 1   7 THR CA 1   7 THR C  1   8 PRO N   98.00  178.00  139.01  137.26  129.21  0.37  7 0 "[    .    1    .    2]" 
         4 . 1   7 THR N 1   7 THR CA 1   7 THR C  1   8 PRO N   98.00  178.00  139.01  137.26  129.21  0.37  7 0 "[    .    1    .    2]" 
         5 . 1   7 THR N 1   7 THR CA 1   7 THR C  1   8 PRO N   98.00  178.00  139.01  137.26  129.21  0.37  7 0 "[    .    1    .    2]" 
         6 . 1   7 THR N 1   7 THR CA 1   7 THR C  1   8 PRO N   98.00  178.00  139.01  137.26  129.21  0.37  7 0 "[    .    1    .    2]" 
         7 . 1  10 VAL C 1  11 ASN N  1  11 ASN CA 1  11 ASN C -143.00  -63.00  -99.47  -93.06  -96.73  7.37 16 1 "[    .    1    .+   2]" 
         8 . 1  11 ASN N 1  11 ASN CA 1  11 ASN C  1  12 GLN N  -63.00  -15.00  -41.87  -37.68  -40.52     .  . 0 "[    .    1    .    2]" 
         9 . 1  11 ASN C 1  12 GLN N  1  12 GLN CA 1  12 GLN C  176.80 -124.00 -150.36 -157.47 -140.17     .  . 0 "[    .    1    .    2]" 
        10 . 1  12 GLN N 1  12 GLN CA 1  12 GLN C  1  13 VAL N  111.10 -177.30  142.75  131.82  158.84     .  . 0 "[    .    1    .    2]" 
        11 . 1  12 GLN C 1  13 VAL N  1  13 VAL CA 1  13 VAL C -160.60  -83.60 -128.53 -110.01 -119.92     .  . 0 "[    .    1    .    2]" 
        12 . 1  13 VAL N 1  13 VAL CA 1  13 VAL C  1  14 LYS N  110.90  148.50  138.82  132.69  132.59  0.24  4 0 "[    .    1    .    2]" 
        13 . 1  13 VAL C 1  14 LYS N  1  14 LYS CA 1  14 LYS C -145.20  -84.90 -136.54 -145.27 -124.73  0.07 13 0 "[    .    1    .    2]" 
        14 . 1  14 LYS N 1  14 LYS CA 1  14 LYS C  1  15 VAL N  104.90  150.40  138.49  140.83  140.25  1.03  9 0 "[    .    1    .    2]" 
        15 . 1  14 LYS C 1  15 VAL N  1  15 VAL CA 1  15 VAL C -122.10  -80.70  -90.05 -120.70  -77.12  3.58  7 0 "[    .    1    .    2]" 
        16 . 1  15 VAL N 1  15 VAL CA 1  15 VAL C  1  16 LEU N  103.90  156.20  134.44   97.66  154.84  6.24 18 1 "[    .    1    .  + 2]" 
        17 . 1  20 ASN C 1  21 ARG N  1  21 ARG CA 1  21 ARG C  -99.40  -59.30  -86.23  -70.45  -85.17 11.06  9 2 "[   -.   +1    .    2]" 
        18 . 1  21 ARG N 1  21 ARG CA 1  21 ARG C  1  22 ILE N  -50.70  -11.50  -42.88  -44.47  -46.90  1.96  3 0 "[    .    1    .    2]" 
        19 . 1  21 ARG C 1  22 ILE N  1  22 ILE CA 1  22 ILE C -168.00  -64.00 -141.17 -144.73 -145.21     .  . 0 "[    .    1    .    2]" 
        20 . 1  22 ILE N 1  22 ILE CA 1  22 ILE C  1  23 SER N   93.00 -163.00  150.00  134.26  173.85     .  . 0 "[    .    1    .    2]" 
        21 . 1  22 ILE C 1  23 SER N  1  23 SER CA 1  23 SER C -136.00  -43.70 -104.12  -88.43  -88.88  0.17  4 0 "[    .    1    .    2]" 
        22 . 1  23 SER N 1  23 SER CA 1  23 SER C  1  24 HIS N  129.70  177.20  154.84  156.67  154.56  0.03 14 0 "[    .    1    .    2]" 
        23 . 1  23 SER C 1  24 HIS N  1  24 HIS CA 1  24 HIS C  -66.40  -46.40  -52.17  -65.03  -44.64  1.76  8 0 "[    .    1    .    2]" 
        24 . 1  24 HIS N 1  24 HIS CA 1  24 HIS C  1  25 HIS N  -63.50  -27.80  -48.38  -56.15  -39.82     .  . 0 "[    .    1    .    2]" 
        25 . 1  26 LYS C 1  27 ILE N  1  27 ILE CA 1  27 ILE C  -74.20  -52.90  -63.36  -72.48  -57.63     .  . 0 "[    .    1    .    2]" 
        26 . 1  27 ILE N 1  27 ILE CA 1  27 ILE C  1  28 LEU N  -56.30  -30.70  -47.38  -43.37  -45.20     .  . 0 "[    .    1    .    2]" 
        27 . 1  27 ILE C 1  28 LEU N  1  28 LEU CA 1  28 LEU C  -71.60  -51.60  -59.55  -67.83  -54.08     .  . 0 "[    .    1    .    2]" 
        28 . 1  28 LEU N 1  28 LEU CA 1  28 LEU C  1  29 ALA N  -54.20  -20.50  -41.53  -49.58  -29.85     .  . 0 "[    .    1    .    2]" 
        29 . 1  28 LEU N 1  28 LEU CA 1  28 LEU C  1  29 ALA N  -54.20  -20.50  -41.53  -49.58  -29.85     .  . 0 "[    .    1    .    2]" 
        30 . 1  28 LEU N 1  28 LEU CA 1  28 LEU C  1  29 ALA N  -54.20  -20.50  -41.53  -49.58  -29.85     .  . 0 "[    .    1    .    2]" 
        31 . 1  29 ALA C 1  30 ILE N  1  30 ILE CA 1  30 ILE C  -70.00  -30.00  -65.02  -59.47  -61.53  2.19 18 0 "[    .    1    .    2]" 
        32 . 1  30 ILE N 1  30 ILE CA 1  30 ILE C  1  31 VAL N  -60.00    0.00  -35.35  -42.00  -26.39     .  . 0 "[    .    1    .    2]" 
        33 . 1  30 ILE C 1  31 VAL N  1  31 VAL CA 1  31 VAL C  -75.70  -53.10  -64.40  -70.66  -58.32     .  . 0 "[    .    1    .    2]" 
        34 . 1  31 VAL N 1  31 VAL CA 1  31 VAL C  1  32 GLY N  -63.60  -25.40  -48.91  -46.75  -47.27     .  . 0 "[    .    1    .    2]" 
        35 . 1  31 VAL N 1  31 VAL CA 1  31 VAL C  1  32 GLY N  -63.60  -25.40  -48.91  -46.75  -47.27     .  . 0 "[    .    1    .    2]" 
        36 . 1  31 VAL N 1  31 VAL CA 1  31 VAL C  1  32 GLY N  -63.60  -25.40  -48.91  -46.75  -47.27     .  . 0 "[    .    1    .    2]" 
        37 . 1  32 GLY C 1  33 THR N  1  33 THR CA 1  33 THR C  -75.60  -54.70  -72.81  -81.17  -62.01  5.57 17 1 "[    .    1    . +  2]" 
        38 . 1  33 THR N 1  33 THR CA 1  33 THR C  1  34 ALA N  -57.10  -26.00  -29.91  -42.38  -22.56  3.44 11 0 "[    .    1    .    2]" 
        39 . 1  33 THR C 1  34 ALA N  1  34 ALA CA 1  34 ALA C  -92.80  -43.30  -68.30  -82.37  -59.23     .  . 0 "[    .    1    .    2]" 
        40 . 1  34 ALA N 1  34 ALA CA 1  34 ALA C  1  35 GLU N  -70.30  -19.30  -35.06  -55.67  -18.51  0.79 17 0 "[    .    1    .    2]" 
        41 . 1  34 ALA C 1  35 GLU N  1  35 GLU CA 1  35 GLU C -101.00  -55.30  -81.24  -85.96  -96.17  3.49  5 0 "[    .    1    .    2]" 
        42 . 1  35 GLU N 1  35 GLU CA 1  35 GLU C  1  36 SER N  -36.40   13.90   -1.26   15.09   10.39  2.65 14 0 "[    .    1    .    2]" 
        43 . 1  35 GLU C 1  36 SER N  1  36 SER CA 1  36 SER C  -90.30  -31.50  -73.54  -65.04  -65.79  5.67 11 1 "[    .    1+   .    2]" 
        44 . 1  36 SER N 1  36 SER CA 1  36 SER C  1  37 ASN N  -63.70   -0.60   -7.54  -39.55    1.19  1.79 15 0 "[    .    1    .    2]" 
        45 . 1  36 SER N 1  36 SER CA 1  36 SER C  1  37 ASN N  -63.70   -0.60   -7.54  -39.55    1.19  1.79 15 0 "[    .    1    .    2]" 
        46 . 1  36 SER N 1  36 SER CA 1  36 SER C  1  37 ASN N  -63.70   -0.60   -7.54  -39.55    1.19  1.79 15 0 "[    .    1    .    2]" 
        47 . 1  39 GLU C 1  40 HIS N  1  40 HIS CA 1  40 HIS C -144.30  -42.10 -121.49 -138.94 -140.23  6.05 19 2 "[  - .    1    .   +2]" 
        48 . 1  40 HIS N 1  40 HIS CA 1  40 HIS C  1  41 PRO N   95.80  178.10  158.18  134.36  178.04     .  . 0 "[    .    1    .    2]" 
        49 . 1  41 PRO C 1  42 LEU N  1  42 LEU CA 1  42 LEU C  -81.80  -51.00  -72.58  -89.75  -58.42  7.95 19 1 "[    .    1    .   +2]" 
        50 . 1  42 LEU N 1  42 LEU CA 1  42 LEU C  1  43 GLY N  -53.40  -24.20  -28.61  -29.13  -31.02  5.60  9 1 "[    .   +1    .    2]" 
        51 . 1  42 LEU C 1  43 GLY N  1  43 GLY CA 1  43 GLY C  -72.30  -52.30  -61.19  -62.14  -65.31  0.28  4 0 "[    .    1    .    2]" 
        52 . 1  43 GLY N 1  43 GLY CA 1  43 GLY C  1  44 THR N  -56.00  -28.10  -44.11  -46.35  -46.53     .  . 0 "[    .    1    .    2]" 
        53 . 1  43 GLY C 1  44 THR N  1  44 THR CA 1  44 THR C  -76.90  -56.90  -56.65  -57.54  -58.20  2.31  9 0 "[    .    1    .    2]" 
        54 . 1  44 THR N 1  44 THR CA 1  44 THR C  1  45 ALA N  -51.30  -27.00  -36.05  -40.33  -40.38  1.04 16 0 "[    .    1    .    2]" 
        55 . 1  44 THR C 1  45 ALA N  1  45 ALA CA 1  45 ALA C  -78.20  -52.00  -68.10  -79.03  -57.32  0.83 17 0 "[    .    1    .    2]" 
        56 . 1  45 ALA N 1  45 ALA CA 1  45 ALA C  1  46 ILE N  -52.70  -26.30  -38.47  -38.06  -40.00     .  . 0 "[    .    1    .    2]" 
        57 . 1  45 ALA C 1  46 ILE N  1  46 ILE CA 1  46 ILE C  -70.00  -30.00  -66.84  -72.01  -60.54  2.01 14 0 "[    .    1    .    2]" 
        58 . 1  46 ILE N 1  46 ILE CA 1  46 ILE C  1  47 THR N  -60.00    0.00  -51.87  -52.47  -53.17     .  . 0 "[    .    1    .    2]" 
        59 . 1  46 ILE C 1  47 THR N  1  47 THR CA 1  47 THR C  -78.40  -52.40  -61.51  -73.26  -50.96  1.44 17 0 "[    .    1    .    2]" 
        60 . 1  47 THR N 1  47 THR CA 1  47 THR C  1  48 LYS N  -52.10  -32.10  -42.46  -40.25  -41.31  0.71 17 0 "[    .    1    .    2]" 
        61 . 1  47 THR C 1  48 LYS N  1  48 LYS CA 1  48 LYS C  -73.80  -49.50  -60.01  -67.44  -51.59     .  . 0 "[    .    1    .    2]" 
        62 . 1  48 LYS N 1  48 LYS CA 1  48 LYS C  1  49 TYR N  -47.30  -27.30  -41.81  -38.14  -39.98  2.81 11 0 "[    .    1    .    2]" 
        63 . 1  48 LYS C 1  49 TYR N  1  49 TYR CA 1  49 TYR C  -76.40  -52.50  -65.19  -76.86  -56.87  0.46 18 0 "[    .    1    .    2]" 
        64 . 1  49 TYR N 1  49 TYR CA 1  49 TYR C  1  50 CYS N  -58.40  -23.30  -46.85  -50.62  -50.96     .  . 0 "[    .    1    .    2]" 
        65 . 1  49 TYR C 1  50 CYS N  1  50 CYS CA 1  50 CYS C  -70.00  -30.00  -63.94  -62.51  -63.68  3.07  7 0 "[    .    1    .    2]" 
        66 . 1  50 CYS N 1  50 CYS CA 1  50 CYS C  1  51 LYS N  -60.00    0.00  -50.76  -47.13  -49.60     .  . 0 "[    .    1    .    2]" 
        67 . 1  50 CYS C 1  51 LYS N  1  51 LYS CA 1  51 LYS C  -70.00  -30.00  -59.65  -66.43  -51.21     .  . 0 "[    .    1    .    2]" 
        68 . 1  51 LYS N 1  51 LYS CA 1  51 LYS C  1  52 GLN N  -60.00    0.00  -36.87  -32.80  -34.69     .  . 0 "[    .    1    .    2]" 
        69 . 1  51 LYS N 1  51 LYS CA 1  51 LYS C  1  52 GLN N  -60.00    0.00  -36.87  -32.80  -34.69     .  . 0 "[    .    1    .    2]" 
        70 . 1  51 LYS N 1  51 LYS CA 1  51 LYS C  1  52 GLN N  -60.00    0.00  -36.87  -32.80  -34.69     .  . 0 "[    .    1    .    2]" 
        71 . 1  52 GLN C 1  53 GLU N  1  53 GLU CA 1  53 GLU C  -80.50  -51.00  -72.37  -84.64  -59.35  4.14 15 0 "[    .    1    .    2]" 
        72 . 1  53 GLU N 1  53 GLU CA 1  53 GLU C  1  54 LEU N  -57.00  -18.30  -30.52  -45.27  -17.50  0.80 15 0 "[    .    1    .    2]" 
        73 . 1  53 GLU C 1  54 LEU N  1  54 LEU CA 1  54 LEU C -114.40  -72.80  -79.90  -71.43  -71.87  2.54 16 0 "[    .    1    .    2]" 
        74 . 1  54 LEU N 1  54 LEU CA 1  54 LEU C  1  55 ASP N  -36.60   10.70  -20.67  -27.27  -31.00  0.04 11 0 "[    .    1    .    2]" 
        75 . 1  55 ASP C 1  56 THR N  1  56 THR CA 1  56 THR C  177.50  -74.10 -109.85 -135.14 -148.98     .  . 0 "[    .    1    .    2]" 
        76 . 1  56 THR N 1  56 THR CA 1  56 THR C  1  57 GLU N  112.20 -170.40  155.50  151.49  145.46     .  . 0 "[    .    1    .    2]" 
        77 . 1  60 GLY C 1  61 THR N  1  61 THR CA 1  61 THR C -148.70  -87.20 -145.29 -152.90 -117.96  4.20 11 0 "[    .    1    .    2]" 
        78 . 1  61 THR N 1  61 THR CA 1  61 THR C  1  62 CYS N  101.10  149.90  142.59  150.74  145.22 13.51 20 4 "[ -  .*   *    .    +]" 
        79 . 1  61 THR C 1  62 CYS N  1  62 CYS CA 1  62 CYS C -134.30  -62.40  -76.45  -93.94  -61.26  1.14  1 0 "[    .    1    .    2]" 
        80 . 1  62 CYS N 1  62 CYS CA 1  62 CYS C  1  63 ILE N  109.90  138.60  139.77  132.06  143.31  4.71 13 0 "[    .    1    .    2]" 
        81 . 1  62 CYS C 1  63 ILE N  1  63 ILE CA 1  63 ILE C -166.00 -100.50 -142.70 -143.40 -144.08     .  . 0 "[    .    1    .    2]" 
        82 . 1  63 ILE N 1  63 ILE CA 1  63 ILE C  1  64 ASP N  116.00  177.30  138.48  152.31  148.64  2.62 13 0 "[    .    1    .    2]" 
        83 . 1  64 ASP C 1  65 PHE N  1  65 PHE CA 1  65 PHE C  -92.60  -48.40  -76.78  -89.16  -62.91     .  . 0 "[    .    1    .    2]" 
        84 . 1  65 PHE N 1  65 PHE CA 1  65 PHE C  1  66 GLN N  105.50  144.50  122.47  130.17  128.54  1.63  8 0 "[    .    1    .    2]" 
        85 . 1  65 PHE C 1  66 GLN N  1  66 GLN CA 1  66 GLN C -140.00 -100.00 -123.89 -141.43 -104.44  1.43 19 0 "[    .    1    .    2]" 
        86 . 1  66 GLN N 1  66 GLN CA 1  66 GLN C  1  67 VAL N   60.00  180.00  133.21   95.79  150.52     .  . 0 "[    .    1    .    2]" 
        87 . 1  66 GLN C 1  67 VAL N  1  67 VAL CA 1  67 VAL C -140.00 -100.00 -118.68 -129.51 -131.60  1.90  8 0 "[    .    1    .    2]" 
        88 . 1  67 VAL N 1  67 VAL CA 1  67 VAL C  1  68 VAL N   60.00  180.00  128.99  132.57  131.13     .  . 0 "[    .    1    .    2]" 
        89 . 1  67 VAL N 1  67 VAL CA 1  67 VAL C  1  68 VAL N   60.00  180.00  128.99  132.57  131.13     .  . 0 "[    .    1    .    2]" 
        90 . 1  67 VAL N 1  67 VAL CA 1  67 VAL C  1  68 VAL N   60.00  180.00  128.99  132.57  131.13     .  . 0 "[    .    1    .    2]" 
        91 . 1  72 GLY C 1  73 ILE N  1  73 ILE CA 1  73 ILE C -140.00 -100.00 -130.64 -122.00 -122.38  2.22 15 0 "[    .    1    .    2]" 
        92 . 1  73 ILE N 1  73 ILE CA 1  73 ILE C  1  74 SER N   60.00  180.00  134.49   98.12  151.10     .  . 0 "[    .    1    .    2]" 
        93 . 1  73 ILE N 1  73 ILE CA 1  73 ILE C  1  74 SER N   60.00  180.00  134.49   98.12  151.10     .  . 0 "[    .    1    .    2]" 
        94 . 1  73 ILE N 1  73 ILE CA 1  73 ILE C  1  74 SER N   60.00  180.00  134.49   98.12  151.10     .  . 0 "[    .    1    .    2]" 
        95 . 1  74 SER C 1  75 CYS N  1  75 CYS CA 1  75 CYS C -140.00 -100.00 -143.79 -141.65 -142.52  6.56  6 6 "[  * .+  -1* * .   *2]" 
        96 . 1  75 CYS N 1  75 CYS CA 1  75 CYS C  1  76 LYS N   60.00  180.00  165.53  162.29  161.38     .  . 0 "[    .    1    .    2]" 
        97 . 1  75 CYS C 1  76 LYS N  1  76 LYS CA 1  76 LYS C -170.40 -107.00 -115.50 -125.57 -106.59  0.41 11 0 "[    .    1    .    2]" 
        98 . 1  76 LYS N 1  76 LYS CA 1  76 LYS C  1  77 VAL N  126.70  175.50  137.94  126.54  124.20  7.40 19 3 "[    .  *-1    .   +2]" 
        99 . 1  76 LYS C 1  77 VAL N  1  77 VAL CA 1  77 VAL C -147.60 -114.80 -129.33 -144.26 -113.43  1.37 13 0 "[    .    1    .    2]" 
       100 . 1  77 VAL N 1  77 VAL CA 1  77 VAL C  1  78 THR N  128.70  174.10  141.33  131.06  146.72     .  . 0 "[    .    1    .    2]" 
       101 . 1  77 VAL C 1  78 THR N  1  78 THR CA 1  78 THR C -178.40  -77.80 -147.19 -141.55 -143.20     .  . 0 "[    .    1    .    2]" 
       102 . 1  78 THR N 1  78 THR CA 1  78 THR C  1  79 ASN N  109.60 -164.50 -174.46 -145.51 -165.04 18.99  2 1 "[ +  .    1    .    2]" 
       103 . 1  80 ILE C 1  81 GLU N  1  81 GLU CA 1  81 GLU C  -76.10  -44.30  -74.74  -82.76  -60.52  6.66 19 3 "[    .    *    .   +-]" 
       104 . 1  81 GLU N 1  81 GLU CA 1  81 GLU C  1  82 GLY N  -51.10  -23.70  -31.58  -52.74   -7.96 15.74 13 2 "[    .    1  + -    2]" 
       105 . 1  81 GLU C 1  82 GLY N  1  82 GLY CA 1  82 GLY C  -90.00  -46.90  -56.51  -48.57  -51.55  0.42 16 0 "[    .    1    .    2]" 
       106 . 1  82 GLY N 1  82 GLY CA 1  82 GLY C  1  83 LEU N  -61.20    3.70    3.05  -23.79   13.24  9.54 16 5 "[    .*   1    -+  **]" 
       107 . 1  82 GLY C 1  83 LEU N  1  83 LEU CA 1  83 LEU C -101.20  -48.20  -63.87  -60.53  -62.46     .  . 0 "[    .    1    .    2]" 
       108 . 1  83 LEU N 1  83 LEU CA 1  83 LEU C  1  84 LEU N  -50.70   17.50  -14.25  -43.72   20.35  2.85 13 0 "[    .    1    .    2]" 
       109 . 1 120 ASP C 1 121 ALA N  1 121 ALA CA 1 121 ALA C  -94.00  -46.00  -67.63  -85.03  -50.65     .  . 0 "[    .    1    .    2]" 
       110 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C  1 122 GLN N  -80.00   16.00  -36.30  -34.17  -36.69     .  . 0 "[    .    1    .    2]" 
       111 . 1 121 ALA C 1 122 GLN N  1 122 GLN CA 1 122 GLN C -136.60  -35.60  -77.31 -116.53  -52.93     .  . 0 "[    .    1    .    2]" 
       112 . 1 122 GLN N 1 122 GLN CA 1 122 GLN C  1 123 ILE N  -67.60   41.80  -22.25  -40.11   13.67     .  . 0 "[    .    1    .    2]" 
       113 . 1 122 GLN C 1 123 ILE N  1 123 ILE CA 1 123 ILE C  -82.80  -46.60  -69.70  -61.23  -63.80  4.06  5 0 "[    .    1    .    2]" 
       114 . 1 123 ILE N 1 123 ILE CA 1 123 ILE C  1 124 SER N  -57.90  -25.90  -39.02  -54.82  -25.22  0.68  1 0 "[    .    1    .    2]" 
       115 . 1 123 ILE C 1 124 SER N  1 124 SER CA 1 124 SER C  -86.00  -50.00  -64.40  -62.75  -68.90  0.54 14 0 "[    .    1    .    2]" 
       116 . 1 124 SER N 1 124 SER CA 1 124 SER C  1 125 ASN N  -50.00  -14.00  -31.57  -48.12  -21.45     .  . 0 "[    .    1    .    2]" 
       117 . 1 124 SER C 1 125 ASN N  1 125 ASN CA 1 125 ASN C  -88.00  -48.00  -77.70  -84.53  -88.86  7.58  1 2 "[+   .    1   -.    2]" 
       118 . 1 125 ASN N 1 125 ASN CA 1 125 ASN C  1 126 ALA N  -64.00   -4.00  -34.12  -33.24  -35.13     .  . 0 "[    .    1    .    2]" 
       119 . 1 125 ASN C 1 126 ALA N  1 126 ALA CA 1 126 ALA C  -87.00  -43.00  -63.11  -84.71  -53.00     .  . 0 "[    .    1    .    2]" 
       120 . 1 126 ALA N 1 126 ALA CA 1 126 ALA C  1 127 LEU N  -64.00   -8.00  -21.68  -21.00  -24.12  1.83 15 0 "[    .    1    .    2]" 
       121 . 1 126 ALA C 1 127 LEU N  1 127 LEU CA 1 127 LEU C  -91.00  -43.00  -67.44  -60.76  -62.18  0.55 18 0 "[    .    1    .    2]" 
       122 . 1 127 LEU N 1 127 LEU CA 1 127 LEU C  1 128 ASN N  -74.00   22.00  -17.72  -39.13   21.80     .  . 0 "[    .    1    .    2]" 
       123 . 1 130 GLN C 1 131 GLN N  1 131 GLN CA 1 131 GLN C -143.00  -71.00  -98.17  -97.17 -103.70  1.52  8 0 "[    .    1    .    2]" 
       124 . 1 131 GLN N 1 131 GLN CA 1 131 GLN C  1 132 TYR N  108.00  164.00  143.32  147.30  137.56  3.43 12 0 "[    .    1    .    2]" 
       125 . 1 131 GLN C 1 132 TYR N  1 132 TYR CA 1 132 TYR C -122.20  -81.30 -118.57 -118.47 -122.38  7.72 13 4 "[    .*   1  + .*-  2]" 
       126 . 1 132 TYR N 1 132 TYR CA 1 132 TYR C  1 133 LYS N   86.60  151.90  142.45  128.70  154.45  2.55 15 0 "[    .    1    .    2]" 
       127 . 1 132 TYR C 1 133 LYS N  1 133 LYS CA 1 133 LYS C -154.00  -46.00  -98.43  -89.47  -91.73     .  . 0 "[    .    1    .    2]" 
       128 . 1 133 LYS N 1 133 LYS CA 1 133 LYS C  1 134 VAL N  104.00  140.00  124.26  123.96  121.50     .  . 0 "[    .    1    .    2]" 
       129 . 1 133 LYS C 1 134 VAL N  1 134 VAL CA 1 134 VAL C -140.00 -100.00 -132.68 -140.92 -122.64  0.92 17 0 "[    .    1    .    2]" 
       130 . 1 134 VAL N 1 134 VAL CA 1 134 VAL C  1 135 LEU N   60.00  180.00  141.34  127.51  153.94     .  . 0 "[    .    1    .    2]" 
       131 . 1 134 VAL C 1 135 LEU N  1 135 LEU CA 1 135 LEU C -140.00 -100.00 -126.91 -127.60 -130.02  0.82  7 0 "[    .    1    .    2]" 
       132 . 1 135 LEU N 1 135 LEU CA 1 135 LEU C  1 136 ILE N   60.00  180.00  138.02  135.74  134.92     .  . 0 "[    .    1    .    2]" 
       133 . 1 135 LEU C 1 136 ILE N  1 136 ILE CA 1 136 ILE C -171.00 -103.00 -131.93 -141.53 -111.70     .  . 0 "[    .    1    .    2]" 
       134 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C  1 137 GLY N  121.00  161.00  125.69  125.28  122.83  5.23 13 1 "[    .    1  + .    2]" 
       135 . 1 137 GLY C 1 138 ASN N  1 138 ASN CA 1 138 ASN C  179.80  -60.80  -78.05  -93.29  -63.97     .  . 0 "[    .    1    .    2]" 
       136 . 1 138 ASN N 1 138 ASN CA 1 138 ASN C  1 139 ARG N  162.10 -166.20  160.29  161.23  160.89  3.54 16 0 "[    .    1    .    2]" 
       137 . 1 138 ASN N 1 138 ASN CA 1 138 ASN C  1 139 ARG N  162.10 -166.20  160.29  161.23  160.89  3.54 16 0 "[    .    1    .    2]" 
       138 . 1 138 ASN N 1 138 ASN CA 1 138 ASN C  1 139 ARG N  162.10 -166.20  160.29  161.23  160.89  3.54 16 0 "[    .    1    .    2]" 
       139 . 1 139 ARG C 1 140 GLU N  1 140 GLU CA 1 140 GLU C  -70.00  -30.00  -70.68  -75.28  -63.30  5.28  2 1 "[ +  .    1    .    2]" 
       140 . 1 140 GLU N 1 140 GLU CA 1 140 GLU C  1 141 TRP N  -60.00    0.00  -33.47  -58.80  -14.21     .  . 0 "[    .    1    .    2]" 
       141 . 1 143 ILE C 1 144 ARG N  1 144 ARG CA 1 144 ARG C  -70.00  -30.00  -64.78  -64.98  -67.30  5.43 20 1 "[    .    1    .    +]" 
       142 . 1 144 ARG N 1 144 ARG CA 1 144 ARG C  1 145 ASN N  -60.00    0.00  -38.42  -17.52  -29.93     .  . 0 "[    .    1    .    2]" 
       143 . 1 144 ARG N 1 144 ARG CA 1 144 ARG C  1 145 ASN N  -60.00    0.00  -38.42  -17.52  -29.93     .  . 0 "[    .    1    .    2]" 
       144 . 1 144 ARG N 1 144 ARG CA 1 144 ARG C  1 145 ASN N  -60.00    0.00  -38.42  -17.52  -29.93     .  . 0 "[    .    1    .    2]" 
       145 . 1 148 VAL C 1 149 ILE N  1 149 ILE CA 1 149 ILE C -143.40  -47.50 -101.66 -144.01  -76.41  0.61  7 0 "[    .    1    .    2]" 
       146 . 1 149 ILE N 1 149 ILE CA 1 149 ILE C  1 150 ASN N   66.40  156.40  151.77  159.18  157.45  3.18 14 0 "[    .    1    .    2]" 
       147 . 1 150 ASN C 1 151 ASN N  1 151 ASN CA 1 151 ASN C  -71.30  -30.00  -64.75  -68.08  -69.38  0.04  1 0 "[    .    1    .    2]" 
       148 . 1 151 ASN N 1 151 ASN CA 1 151 ASN C  1 152 ASP N  -60.00    0.00  -33.42  -43.74  -19.94     .  . 0 "[    .    1    .    2]" 
       149 . 1 151 ASN C 1 152 ASP N  1 152 ASP CA 1 152 ASP C  -70.00  -30.00  -63.23  -71.94  -56.27  1.94 16 0 "[    .    1    .    2]" 
       150 . 1 152 ASP N 1 152 ASP CA 1 152 ASP C  1 153 VAL N  -60.00    0.00  -49.45  -44.75  -47.70  1.93  9 0 "[    .    1    .    2]" 
       151 . 1 152 ASP C 1 153 VAL N  1 153 VAL CA 1 153 VAL C  -70.00  -30.00  -71.08  -72.53  -73.03  7.40 10 3 "[    .    +  * . -  2]" 
       152 . 1 153 VAL N 1 153 VAL CA 1 153 VAL C  1 154 ASN N  -60.00    0.00  -34.62  -31.86  -32.66     .  . 0 "[    .    1    .    2]" 
       153 . 1 153 VAL C 1 154 ASN N  1 154 ASN CA 1 154 ASN C  -70.20  -30.00  -64.41  -70.96  -51.44  0.76  4 0 "[    .    1    .    2]" 
       154 . 1 154 ASN N 1 154 ASN CA 1 154 ASN C  1 155 ASP N  -60.00    0.00  -42.24  -52.50  -34.65     .  . 0 "[    .    1    .    2]" 
       155 . 1 154 ASN C 1 155 ASP N  1 155 ASP CA 1 155 ASP C  -73.00  -30.00  -66.58  -61.94  -62.81  0.42  8 0 "[    .    1    .    2]" 
       156 . 1 155 ASP N 1 155 ASP CA 1 155 ASP C  1 156 PHE N  -60.00    0.00  -35.32  -40.77  -45.06     .  . 0 "[    .    1    .    2]" 
       157 . 1 155 ASP C 1 156 PHE N  1 156 PHE CA 1 156 PHE C  -70.00  -30.00  -65.41  -60.33  -60.73  3.66 18 0 "[    .    1    .    2]" 
       158 . 1 156 PHE N 1 156 PHE CA 1 156 PHE C  1 157 MET N  -60.00    0.00  -45.40  -51.22  -40.32     .  . 0 "[    .    1    .    2]" 
       159 . 1 156 PHE C 1 157 MET N  1 157 MET CA 1 157 MET C  -72.00  -30.00  -65.96  -63.08  -64.38  2.21 17 0 "[    .    1    .    2]" 
       160 . 1 157 MET N 1 157 MET CA 1 157 MET C  1 158 THR N  -60.00    0.00  -45.99  -49.64  -39.09     .  . 0 "[    .    1    .    2]" 
       161 . 1 157 MET C 1 158 THR N  1 158 THR CA 1 158 THR C  -70.00  -30.00  -58.89  -55.43  -57.43     .  . 0 "[    .    1    .    2]" 
       162 . 1 158 THR N 1 158 THR CA 1 158 THR C  1 159 GLU N  -60.00    0.00  -43.48  -48.41  -49.41     .  . 0 "[    .    1    .    2]" 
       163 . 1 158 THR C 1 159 GLU N  1 159 GLU CA 1 159 GLU C  -70.00  -30.00  -64.04  -71.43  -58.80  1.43 18 0 "[    .    1    .    2]" 
       164 . 1 159 GLU N 1 159 GLU CA 1 159 GLU C  1 160 HIS N  -60.00    0.00  -39.69  -34.00  -35.68     .  . 0 "[    .    1    .    2]" 
       165 . 1 159 GLU C 1 160 HIS N  1 160 HIS CA 1 160 HIS C  -69.70  -30.00  -68.95  -73.43  -59.38  3.73 20 0 "[    .    1    .    2]" 
       166 . 1 160 HIS N 1 160 HIS CA 1 160 HIS C  1 161 GLU N  -60.00    0.00  -39.39  -35.78  -36.79     .  . 0 "[    .    1    .    2]" 
       167 . 1 160 HIS C 1 161 GLU N  1 161 GLU CA 1 161 GLU C  -70.00  -30.00  -65.56  -65.59  -67.93  3.41  3 0 "[    .    1    .    2]" 
       168 . 1 161 GLU N 1 161 GLU CA 1 161 GLU C  1 162 ARG N  -60.00    0.00  -36.38  -47.20  -19.48     .  . 0 "[    .    1    .    2]" 
       169 . 1 161 GLU C 1 162 ARG N  1 162 ARG CA 1 162 ARG C  -70.00  -30.00  -68.42  -58.84  -63.14  4.01  6 0 "[    .    1    .    2]" 
       170 . 1 162 ARG N 1 162 ARG CA 1 162 ARG C  1 163 LYS N  -60.00    0.00  -26.43  -27.75  -29.27     .  . 0 "[    .    1    .    2]" 
       171 . 1 162 ARG N 1 162 ARG CA 1 162 ARG C  1 163 LYS N  -60.00    0.00  -26.43  -27.75  -29.27     .  . 0 "[    .    1    .    2]" 
       172 . 1 162 ARG N 1 162 ARG CA 1 162 ARG C  1 163 LYS N  -60.00    0.00  -26.43  -27.75  -29.27     .  . 0 "[    .    1    .    2]" 
       173 . 1 163 LYS C 1 164 GLY N  1 164 GLY CA 1 164 GLY C   62.00  118.00   97.06  118.96   82.18 10.56 19 6 "[ *  -    1*** .   +2]" 
       174 . 1 164 GLY N 1 164 GLY CA 1 164 GLY C  1 165 ARG N  -21.00   43.00   25.92   41.42   34.37  2.80 19 0 "[    .    1    .    2]" 
       175 . 1 165 ARG C 1 166 THR N  1 166 THR CA 1 166 THR C -151.10  -50.10  -92.36 -122.40  -38.58 11.52  3 2 "[  + .    1    .-   2]" 
       176 . 1 166 THR N 1 166 THR CA 1 166 THR C  1 167 ALA N  100.00  150.70  134.96  136.97  135.34     .  . 0 "[    .    1    .    2]" 
       177 . 1 166 THR C 1 167 ALA N  1 167 ALA CA 1 167 ALA C -149.20  -90.80 -129.25 -134.91 -136.09     .  . 0 "[    .    1    .    2]" 
       178 . 1 167 ALA N 1 167 ALA CA 1 167 ALA C  1 168 VAL N  110.90  168.30  128.40  133.61  131.32     .  . 0 "[    .    1    .    2]" 
       179 . 1 167 ALA C 1 168 VAL N  1 168 VAL CA 1 168 VAL C -152.60  -93.70 -138.11 -146.27 -129.20     .  . 0 "[    .    1    .    2]" 
       180 . 1 168 VAL N 1 168 VAL CA 1 168 VAL C  1 169 LEU N  112.40  171.60  152.12  141.51  161.53     .  . 0 "[    .    1    .    2]" 
       181 . 1 168 VAL C 1 169 LEU N  1 169 LEU CA 1 169 LEU C -157.00  -89.00 -116.62  -99.72 -100.31     .  . 0 "[    .    1    .    2]" 
       182 . 1 169 LEU N 1 169 LEU CA 1 169 LEU C  1 170 VAL N  128.00  168.00  156.62  165.19  162.06     .  . 0 "[    .    1    .    2]" 
       183 . 1 169 LEU C 1 170 VAL N  1 170 VAL CA 1 170 VAL C -150.10 -113.10 -125.36 -135.80 -111.97  1.13 13 0 "[    .    1    .    2]" 
       184 . 1 170 VAL N 1 170 VAL CA 1 170 VAL C  1 171 ALA N  107.80  164.90  135.87  138.22  137.61     .  . 0 "[    .    1    .    2]" 
       185 . 1 170 VAL C 1 171 ALA N  1 171 ALA CA 1 171 ALA C -162.00  -94.00 -133.25 -138.41 -139.36     .  . 0 "[    .    1    .    2]" 
       186 . 1 171 ALA N 1 171 ALA CA 1 171 ALA C  1 172 VAL N  123.00  167.00  149.71  153.46  152.83     .  . 0 "[    .    1    .    2]" 
       187 . 1 171 ALA C 1 172 VAL N  1 172 VAL CA 1 172 VAL C -150.10 -102.10 -134.50 -140.64 -124.60     .  . 0 "[    .    1    .    2]" 
       188 . 1 172 VAL N 1 172 VAL CA 1 172 VAL C  1 173 ASP N  106.10  144.80  123.60  122.07  121.12     .  . 0 "[    .    1    .    2]" 
       189 . 1 172 VAL C 1 173 ASP N  1 173 ASP CA 1 173 ASP C   43.00   63.00   46.48   41.29   52.98  1.71 10 0 "[    .    1    .    2]" 
       190 . 1 173 ASP N 1 173 ASP CA 1 173 ASP C  1 174 ASP N   34.00   54.00   45.64   29.64   58.46  4.46  9 0 "[    .    1    .    2]" 
       191 . 1 173 ASP C 1 174 ASP N  1 174 ASP CA 1 174 ASP C   49.30   74.80   64.29   68.77   67.54     .  . 0 "[    .    1    .    2]" 
       192 . 1 174 ASP N 1 174 ASP CA 1 174 ASP C  1 175 GLU N    1.70   40.50   27.72   26.83   25.27  0.65 12 0 "[    .    1    .    2]" 
       193 . 1 174 ASP N 1 174 ASP CA 1 174 ASP C  1 175 GLU N    1.70   40.50   27.72   26.83   25.27  0.65 12 0 "[    .    1    .    2]" 
       194 . 1 174 ASP N 1 174 ASP CA 1 174 ASP C  1 175 GLU N    1.70   40.50   27.72   26.83   25.27  0.65 12 0 "[    .    1    .    2]" 
       195 . 1 178 GLY C 1 179 LEU N  1 179 LEU CA 1 179 LEU C -140.00 -100.00 -141.66 -145.41 -133.01  5.41 20 1 "[    .    1    .    +]" 
       196 . 1 179 LEU N 1 179 LEU CA 1 179 LEU C  1 180 ILE N   60.00  180.00  155.66  155.13  154.19     .  . 0 "[    .    1    .    2]" 
       197 . 1 179 LEU C 1 180 ILE N  1 180 ILE CA 1 180 ILE C -140.00  -88.00 -132.62 -137.43 -119.76     .  . 0 "[    .    1    .    2]" 
       198 . 1 180 ILE N 1 180 ILE CA 1 180 ILE C  1 181 ALA N   60.00  180.00  131.23  128.39  126.22     .  . 0 "[    .    1    .    2]" 
       199 . 1 180 ILE C 1 181 ALA N  1 181 ALA CA 1 181 ALA C -148.90  -68.40 -116.40 -133.57 -102.30     .  . 0 "[    .    1    .    2]" 
       200 . 1 181 ALA N 1 181 ALA CA 1 181 ALA C  1 182 ILE N  102.80  135.10  125.85  125.96  124.14  2.49  2 0 "[    .    1    .    2]" 
       201 . 1 181 ALA C 1 182 ILE N  1 182 ILE CA 1 182 ILE C -131.70 -102.10 -121.92 -132.71 -108.60  1.01  5 0 "[    .    1    .    2]" 
       202 . 1 182 ILE N 1 182 ILE CA 1 182 ILE C  1 183 ALA N  114.30  138.80  133.80  139.41  136.74  5.29  8 1 "[    .  + 1    .    2]" 
       203 . 1 182 ILE C 1 183 ALA N  1 183 ALA CA 1 183 ALA C -168.10  -77.80 -123.82 -156.42  -85.47     .  . 0 "[    .    1    .    2]" 
       204 . 1 183 ALA N 1 183 ALA CA 1 183 ALA C  1 184 ASP N  111.40  154.10  146.98  141.41  125.17  6.92  8 2 "[    .  + 1    . -  2]" 
       205 . 1 183 ALA C 1 184 ASP N  1 184 ASP CA 1 184 ASP C -139.50  -50.50  -92.12  -66.55  -68.44     .  . 0 "[    .    1    .    2]" 
       206 . 1 184 ASP N 1 184 ASP CA 1 184 ASP C  1 185 THR N  107.00  154.80  145.50  122.76  121.15  5.66  3 2 "[  + .    1    -    2]" 
    stop_

save_



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, May 10, 2024 7:38:24 AM GMT (wattos1)