
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms   81 (  666),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  632),  selected   79 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       5_A - 81_A        4.99     5.26
  LCS_AVERAGE:     95.40

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      33_A - 72_A        1.90     6.52
  LCS_AVERAGE:     34.24

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      34_A - 63_A        0.97     5.59
  LCS_AVERAGE:     19.80

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     L     3_A     L     3_A      7    8   12      4    7    7    7    7    7    7    8    9   10   12   19   31   33   34   35   63   65   69   71 
LCS_GDT     L     4_A     L     4_A      7    8   13      6    7    7   13   17   24   45   50   55   58   60   64   65   66   69   71   72   73   74   76 
LCS_GDT     L     5_A     L     5_A      7    8   77      6   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     C     6_A     C     6_A      7    8   77      6    7    7    7    7    7   11   14   53   58   60   63   66   68   69   71   72   73   74   76 
LCS_GDT     P     7_A     P     7_A      7    8   77      6    7    7    7    8   10   32   42   44   47   51   55   57   60   64   65   68   70   73   76 
LCS_GDT     N     8_A     N     8_A      7   11   77      6    7    7    8   10   11   14   16   19   20   45   51   55   58   60   63   65   67   70   71 
LCS_GDT     C     9_A     C     9_A      7   11   77      6   12   22   33   37   41   44   50   53   58   59   62   64   65   67   69   70   73   74   76 
LCS_GDT     Q    10_A     Q    10_A      4   11   77      3    6    7    8   10   11   14   16   49   52   56   62   64   65   66   68   69   71   73   76 
LCS_GDT     V    11_A     V    11_A      4   11   77      3    6    7   26   42   47   51   53   55   59   61   64   66   66   68   69   70   73   74   76 
LCS_GDT     G    12_A     G    12_A      5   11   77      4    6   27   38   46   51   52   53   56   59   61   64   66   66   69   70   72   73   74   76 
LCS_GDT     M    13_A     M    13_A      5   11   77      4   18   30   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     R    14_A     R    14_A      5   11   77      4    4    7   12   18   24   29   53   55   58   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    15_A     E    15_A      5   11   77      4    4    6    8   10   14   29   30   45   52   54   55   60   61   66   68   69   72   73   76 
LCS_GDT     V    16_A     V    16_A      5   11   77      4    4    6   12   18   24   52   53   55   58   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    17_A     E    17_A      5   11   77      4    4    6    8   14   24   35   42   46   55   57   64   66   68   69   71   72   73   74   76 
LCS_GDT     R    18_A     R    18_A      7   11   77      4    4   24   38   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     R    19_A     R    19_A      7   11   77      3    6    8   19   42   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     G    20_A     G    20_A      7    9   77      3    6   12   26   43   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     V    21_A     V    21_A      7    9   77      4   19   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     L    22_A     L    22_A      7    9   77      4    9   23   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     I    23_A     I    23_A      7    9   77      4   18   29   33   39   44   49   52   56   59   61   63   66   68   69   71   72   73   74   76 
LCS_GDT     D    24_A     D    24_A      7    9   77      4   15   27   33   38   42   47   52   55   59   60   63   66   68   69   71   72   73   74   76 
LCS_GDT     V    25_A     V    25_A      5    9   77      3    4    5    7   11   25   37   44   48   53   58   59   60   64   66   71   72   73   74   76 
LCS_GDT     C    26_A     C    26_A      4    9   77      0    4    4   15   20   28   34   42   46   51   58   59   61   68   69   71   72   73   74   76 
LCS_GDT     P    27_A     P    27_A      4    9   77      3    4    6    8   11   15   28   31   33   35   45   52   54   59   65   71   72   72   74   74 
LCS_GDT     Q    28_A     Q    28_A      4    6   77      3    4    5    5    5   17   23   27   30   32   41   52   61   68   69   71   72   73   74   76 
LCS_GDT     C    29_A     C    29_A      4    6   77      3    4    5    5    5    9   10   27   30   35   41   48   57   68   69   71   72   73   74   76 
LCS_GDT     G    30_A     G    30_A      4   35   77      3    4    5   12   18   31   36   45   51   54   60   63   65   68   69   71   72   73   74   76 
LCS_GDT     G    31_A     G    31_A      4   36   77      3    4   31   37   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     V    32_A     V    32_A      4   36   77      3    4   25   36   44   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     W    33_A     W    33_A     24   40   77      4    8   10   23   32   39   48   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     L    34_A     L    34_A     30   40   77      4   19   29   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     D    35_A     D    35_A     30   40   77      4   19   30   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     K    36_A     K    36_A     30   40   77     16   24   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     G    37_A     G    37_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    38_A     E    38_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     L    39_A     L    39_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    40_A     E    40_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     K    41_A     K    41_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     L    42_A     L    42_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     L    43_A     L    43_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     A    44_A     A    44_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    45_A     E    45_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     A    46_A     A    46_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    47_A     E    47_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    48_A     E    48_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     V    49_A     V    49_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    50_A     E    50_A     30   40   77     10   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     R    51_A     R    51_A     30   40   77     11   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     R    52_A     R    52_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     Y    53_A     Y    53_A     30   40   77      7   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    54_A     E    54_A     30   40   77     10   21   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    55_A     E    55_A     30   40   77      9   19   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    56_A     E    56_A     30   40   77      7   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     L    57_A     L    57_A     30   40   77      6   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    58_A     E    58_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     G    59_A     G    59_A     30   40   77     16   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     F    60_A     F    60_A     30   40   77      9   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     Y    61_A     Y    61_A     30   40   77      7   23   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     R    62_A     R    62_A     30   40   77     10   24   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     K    63_A     K    63_A     30   40   77      6   14   29   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     E    64_A     E    64_A     28   40   77      4    9   18   34   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     G    65_A     G    65_A      5   40   77      3   12   22   27   34   42   48   52   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     K    66_A     K    66_A      5   40   77      3    3   16   27   37   41   48   52   54   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     P    67_A     P    67_A      5   40   77      3   12   25   33   38   41   48   52   54   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     Y    68_A     Y    68_A      5   40   77      3    6   22   27   36   41   44   48   53   58   60   64   66   68   69   71   72   73   74   76 
LCS_GDT     K    69_A     K    69_A      5   40   77      3   12   22   32   38   41   44   48   54   58   60   64   66   68   69   71   72   73   74   76 
LCS_GDT     R    70_A     R    70_A      5   40   77      3    7   25   33   38   42   48   52   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     K    71_A     K    71_A      5   40   77      3    5   26   33   38   42   48   52   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     K    72_A     K    72_A      8   40   77     11   24   31   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     G    73_A     G    73_A      8   38   77      4    7   15   30   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     F    74_A     F    74_A      8   17   77      4    7   11   30   45   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     M    75_A     M    75_A      8   17   77      7   24   30   38   45   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     K    76_A     K    76_A      8   17   77      4   16   25   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     L    77_A     L    77_A      8   17   77      4   14   31   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     F    78_A     F    78_A      8   17   77      3   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     D    79_A     D    79_A      8   17   77      3   24   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     L    80_A     L    80_A      8   17   77      4   25   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_GDT     F    81_A     F    81_A      8   17   77     13   24   32   39   46   51   52   53   56   59   61   64   66   68   69   71   72   73   74   76 
LCS_AVERAGE  LCS_A:  49.82  (  19.80   34.24   95.40 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     16     25     32     39     46     51     52     53     56     59     61     64     66     68     69     71     72     73     74     76 
GDT PERCENT_AT  20.25  31.65  40.51  49.37  58.23  64.56  65.82  67.09  70.89  74.68  77.22  81.01  83.54  86.08  87.34  89.87  91.14  92.41  93.67  96.20
GDT RMS_LOCAL    0.32   0.72   0.89   1.19   1.47   1.70   1.82   1.85   2.24   2.52   2.71   3.06   3.21   3.86   3.83   4.20   4.22   4.23   4.39   4.66
GDT RMS_ALL_AT   5.68   5.44   5.50   5.50   5.59   5.63   5.69   5.69   5.46   5.44   5.49   5.53   5.40   5.28   5.29   5.33   5.32   5.25   5.26   5.25

# Checking swapping
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  E    50_A      E    50_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A    13.671     0    0.482   1.291    17.793    0.000    0.000
LGA    L     4_A      L     4_A     7.051     0    0.032   0.130    10.047   11.310    8.571
LGA    L     5_A      L     5_A     2.475     4    0.035   0.035     5.044   44.524   22.262
LGA    C     6_A      C     6_A     7.996     0    0.022   0.127    12.539   10.238    7.063
LGA    P     7_A      P     7_A    12.454     0    0.021   0.039    15.298    0.000    0.000
LGA    N     8_A      N     8_A    15.359     0    0.324   0.298    20.532    0.000    0.000
LGA    C     9_A      C     9_A     9.601     0    0.601   0.834    11.284    1.190    2.381
LGA    Q    10_A      Q    10_A     9.078     0    0.153   1.077    15.761    4.762    2.116
LGA    V    11_A      V    11_A     3.874     0    0.665   0.599     5.197   39.167   47.075
LGA    G    12_A      G    12_A     2.414     0    0.625   0.625     3.517   61.429   61.429
LGA    M    13_A      M    13_A     1.305     0    0.053   0.774     8.741   57.619   39.286
LGA    R    14_A      R    14_A     5.545     0    0.054   1.017    11.893   35.238   14.719
LGA    E    15_A      E    15_A     8.558     0    0.150   0.806    16.806    3.810    1.693
LGA    V    16_A      V    16_A     5.478     0    0.053   1.116     6.138   23.929   30.476
LGA    E    17_A      E    17_A     6.676     0    0.149   1.021    15.334   22.381   10.106
LGA    R    18_A      R    18_A     2.229     3    0.230   0.623     4.724   50.595   35.584
LGA    R    19_A      R    19_A     3.844     5    0.340   0.484     6.414   46.667   21.905
LGA    G    20_A      G    20_A     2.920     0    0.240   0.240     2.920   59.048   59.048
LGA    V    21_A      V    21_A     1.428     0    0.051   0.045     3.417   79.286   69.864
LGA    L    22_A      L    22_A     1.840     0    0.039   0.931     5.899   56.786   43.929
LGA    I    23_A      I    23_A     5.011     0    0.043   1.340     8.886   37.738   25.298
LGA    D    24_A      D    24_A     6.554     0    0.234   0.870     9.503    8.452    9.286
LGA    V    25_A      V    25_A    12.074     0    0.409   0.398    17.006    0.119    0.068
LGA    C    26_A      C    26_A    11.845     0    0.185   0.672    13.103    0.000    0.000
LGA    P    27_A      P    27_A    14.157     0    0.686   0.639    15.809    0.000    0.000
LGA    Q    28_A      Q    28_A    12.664     0    0.551   0.857    15.469    0.000    0.317
LGA    C    29_A      C    29_A    12.321     0    0.181   0.757    12.348    0.000    0.000
LGA    G    30_A      G    30_A     9.263     0    0.107   0.107     9.766    7.143    7.143
LGA    G    31_A      G    31_A     2.477     0    0.685   0.685     4.843   50.833   50.833
LGA    V    32_A      V    32_A     2.912     0    0.044   1.110     6.239   59.048   47.687
LGA    W    33_A      W    33_A     3.973     0    0.673   1.187    13.570   53.810   16.599
LGA    L    34_A      L    34_A     1.757     0    0.144   0.766     4.153   71.071   65.476
LGA    D    35_A      D    35_A     1.531     0    0.184   0.732     3.729   77.143   65.655
LGA    K    36_A      K    36_A     1.196     0    0.057   0.898     3.819   81.429   73.439
LGA    G    37_A      G    37_A     1.476     0    0.022   0.022     1.476   81.429   81.429
LGA    E    38_A      E    38_A     1.054     0    0.038   0.337     2.600   85.952   77.884
LGA    L    39_A      L    39_A     0.492     0    0.085   0.151     1.455   95.238   90.595
LGA    E    40_A      E    40_A     1.113     0    0.014   0.055     2.477   85.952   75.979
LGA    K    41_A      K    41_A     1.201     0    0.061   0.195     2.761   83.690   74.233
LGA    L    42_A      L    42_A     0.790     0    0.033   0.140     1.626   95.238   87.321
LGA    L    43_A      L    43_A     0.226     0    0.084   0.095     1.160  100.000   92.976
LGA    A    44_A      A    44_A     0.812     0    0.030   0.033     1.274   90.476   88.667
LGA    E    45_A      E    45_A     1.171     0    0.055   0.929     3.312   83.690   72.646
LGA    A    46_A      A    46_A     0.886     0    0.090   0.098     1.076   88.214   88.667
LGA    E    47_A      E    47_A     0.320     0    0.038   0.434     1.716   95.238   86.772
LGA    E    48_A      E    48_A     1.287     0    0.016   0.140     2.151   79.286   73.915
LGA    V    49_A      V    49_A     1.427     0    0.016   0.040     1.622   79.286   77.755
LGA    E    50_A      E    50_A     1.318     0    0.014   1.035     3.908   81.429   69.153
LGA    R    51_A      R    51_A     1.451     0    0.077   0.593     2.894   79.286   72.338
LGA    R    52_A      R    52_A     1.511     0    0.014   1.190     6.226   77.143   63.160
LGA    Y    53_A      Y    53_A     1.505     0    0.034   0.406     2.442   77.143   76.587
LGA    E    54_A      E    54_A     1.534     0    0.062   0.819     4.643   75.000   64.921
LGA    E    55_A      E    55_A     1.846     0    0.075   0.233     2.515   68.929   71.111
LGA    E    56_A      E    56_A     1.580     0    0.052   0.880     4.365   75.000   60.000
LGA    L    57_A      L    57_A     1.494     0    0.025   0.170     2.604   81.429   75.179
LGA    E    58_A      E    58_A     0.918     0    0.036   0.774     3.905   88.214   77.513
LGA    G    59_A      G    59_A     0.544     0    0.129   0.129     1.179   88.214   88.214
LGA    F    60_A      F    60_A     0.772     0    0.049   0.122     1.628   85.952   84.762
LGA    Y    61_A      Y    61_A     1.189     0    0.050   0.743     4.511   81.548   63.770
LGA    R    62_A      R    62_A     0.945     0    0.137   0.618     3.252   88.214   76.537
LGA    K    63_A      K    63_A     1.783     2    0.110   0.679     4.356   72.976   50.952
LGA    E    64_A      E    64_A     2.154     0    0.032   0.793     9.156   61.190   39.630
LGA    G    65_A      G    65_A     7.173     0    0.162   0.162     9.945   12.262   12.262
LGA    K    66_A      K    66_A     7.515     3    0.282   0.324     8.229   10.952    6.508
LGA    P    67_A      P    67_A     7.750     0    0.400   0.519     9.373    7.857    5.782
LGA    Y    68_A      Y    68_A     8.678     0    0.180   1.350    12.666    3.333    1.587
LGA    K    69_A      K    69_A     8.324     2    0.083   0.642    10.598    5.476    2.646
LGA    R    70_A      R    70_A     5.950     0    0.082   1.083     6.814   17.381   24.069
LGA    K    71_A      K    71_A     5.309     0    0.678   0.938     7.141   28.929   20.423
LGA    K    72_A      K    72_A     2.405     0    0.338   1.016     6.020   67.262   51.429
LGA    G    73_A      G    73_A     2.364     0    0.041   0.041     2.364   66.786   66.786
LGA    F    74_A      F    74_A     2.746     0    0.591   0.549     7.610   57.262   33.290
LGA    M    75_A      M    75_A     2.735     0    0.140   1.392     4.358   60.952   58.810
LGA    K    76_A      K    76_A     1.902     0    0.169   0.209     5.849   75.000   53.915
LGA    L    77_A      L    77_A     1.747     0    0.227   1.367     6.947   81.548   59.643
LGA    F    78_A      F    78_A     0.743     0    0.047   0.754     3.246   90.476   80.606
LGA    D    79_A      D    79_A     0.944     0    0.036   0.134     1.077   90.476   88.214
LGA    L    80_A      L    80_A     0.597     0    0.066   0.970     5.568   88.214   66.786
LGA    F    81_A      F    81_A     1.745     0    0.610   0.664     3.167   72.976   68.745

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     632    632  100.00                79
SUMMARY(RMSD_GDC):     5.239          5.187                  6.084           53.383   46.120

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   81   79    4.0     53    1.85    59.494    55.951     2.715

LGA_LOCAL      RMSD:   1.852  Number of atoms:   53  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.687  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   5.239  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.574619 * X  +  -0.602241 * Y  +  -0.554183 * Z  +  32.791222
  Y_new =   0.476673 * X  +   0.796705 * Y  +  -0.371544 * Z  + -90.222687
  Z_new =   0.665279 * X  +  -0.050668 * Y  +   0.744873 * Z  + -90.946266 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.692499 -0.727868 -0.067918   [DEG:   39.6773  -41.7038   -3.8914 ]
ZXZ: -0.980190  0.730452  1.646810   [DEG:  -56.1607   41.8518   94.3553 ]
 
# END of job
