
#######################################################
#                                                     #
#                        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   82 (  674),  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:    66       3_A - 68_A        4.90    18.40
  LCS_AVERAGE:     74.59

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      12_A - 59_A        1.99    18.51
  LCS_AVERAGE:     46.60

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      32_A - 56_A        0.89    19.03
  LCS_AVERAGE:     19.55

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     14   45   66      4   18   25   34   39   45   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     L     4_A     L     4_A     14   45   66      6   13   25   32   39   43   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     L     5_A     L     5_A     14   45   66      6   18   25   34   39   45   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     C     6_A     C     6_A     14   45   66      5   18   27   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     P     7_A     P     7_A     14   45   66      6   18   27   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     N     8_A     N     8_A     14   45   66      9   18   27   34   39   43   49   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     C     9_A     C     9_A     14   45   66      4   14   25   34   39   42   48   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     Q    10_A     Q    10_A     14   45   66      6   18   25   34   39   42   48   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     V    11_A     V    11_A     14   47   66      5   13   25   34   39   43   50   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     G    12_A     G    12_A     14   48   66      6   18   27   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     M    13_A     M    13_A     14   48   66      9   18   27   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     R    14_A     R    14_A     14   48   66      9   18   28   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    15_A     E    15_A     14   48   66      9   18   27   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     V    16_A     V    16_A     14   48   66      4   18   27   34   39   45   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    17_A     E    17_A     11   48   66      6   21   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     R    18_A     R    18_A     11   48   66      6   10   12   29   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     R    19_A     R    19_A     11   48   66      6   10   12   22   35   41   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     G    20_A     G    20_A     11   48   66      6   10   21   32   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     V    21_A     V    21_A     22   48   66      6   16   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     L    22_A     L    22_A     24   48   66     11   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     I    23_A     I    23_A     24   48   66      9   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     D    24_A     D    24_A     24   48   66     11   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     V    25_A     V    25_A     24   48   66      9   23   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     C    26_A     C    26_A     24   48   66      9   18   28   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     P    27_A     P    27_A     24   48   66      9   18   28   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     Q    28_A     Q    28_A     24   48   66      9   18   27   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     C    29_A     C    29_A     24   48   66      9   18   27   34   39   45   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     G    30_A     G    30_A     24   48   66      5   18   27   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     G    31_A     G    31_A     24   48   66      9   18   27   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     V    32_A     V    32_A     25   48   66      9   18   28   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     W    33_A     W    33_A     25   48   66      9   22   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     L    34_A     L    34_A     25   48   66     11   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     D    35_A     D    35_A     25   48   66      4   22   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     K    36_A     K    36_A     25   48   66     11   24   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     G    37_A     G    37_A     25   48   66     14   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    38_A     E    38_A     25   48   66     11   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     L    39_A     L    39_A     25   48   66     11   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    40_A     E    40_A     25   48   66     15   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     K    41_A     K    41_A     25   48   66     15   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     L    42_A     L    42_A     25   48   66     15   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     L    43_A     L    43_A     25   48   66     15   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     A    44_A     A    44_A     25   48   66     15   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    45_A     E    45_A     25   48   66     15   24   29   34   39   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     A    46_A     A    46_A     25   48   66     15   24   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    47_A     E    47_A     25   48   66     15   24   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    48_A     E    48_A     25   48   66     15   24   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     V    49_A     V    49_A     25   48   66     15   24   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    50_A     E    50_A     25   48   66     15   24   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     R    51_A     R    51_A     25   48   66     15   24   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     R    52_A     R    52_A     25   48   66     15   24   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     Y    53_A     Y    53_A     25   48   66     15   24   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    54_A     E    54_A     25   48   66     15   24   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    55_A     E    55_A     25   48   66     15   24   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    56_A     E    56_A     25   48   66      4   19   29   34   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     L    57_A     L    57_A      3   48   66      3    3    3    4   38   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     E    58_A     E    58_A      4   48   66      3    4    4    8   21   46   52   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     G    59_A     G    59_A      4   48   66      3    4    4    4    4    5   31   48   52   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     F    60_A     F    60_A      4   41   66      3    4    4    6   20   31   39   48   56   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     Y    61_A     Y    61_A      4    4   66      3    4   11   21   32   38   44   54   57   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     R    62_A     R    62_A      3    5   66      3    3    3    3    6   33   42   48   56   58   60   60   60   60   62   62   63   63   64   64 
LCS_GDT     K    63_A     K    63_A      3    8   66      3    3    3    5    8   10   23   29   36   40   46   50   52   59   62   62   63   63   64   64 
LCS_GDT     E    64_A     E    64_A      3   10   66      3    3    6    6    8   11   13   19   22   27   32   50   52   56   57   60   60   60   64   64 
LCS_GDT     G    65_A     G    65_A      4   10   66      4    4    6    6    8   11   11   13   14   16   46   50   52   58   62   62   63   63   64   64 
LCS_GDT     K    66_A     K    66_A      4   10   66      4    4    4    5    8   11   11   13   14   16   23   37   43   52   60   62   63   63   64   64 
LCS_GDT     P    67_A     P    67_A      4   10   66      4    4    6    6    8   11   11   13   14   16   17   19   19   22   29   44   56   60   62   63 
LCS_GDT     Y    68_A     Y    68_A      5   10   66      4    4    5    6    8   11   11   13   14   16   17   19   19   22   23   23   24   25   26   26 
LCS_GDT     K    69_A     K    69_A      5   10   23      4    4    6    6    8   11   11   13   14   16   17   19   19   22   23   23   24   25   26   26 
LCS_GDT     R    70_A     R    70_A      5   10   23      4    4    6    6    8   11   11   13   14   16   17   19   19   22   23   23   24   25   26   26 
LCS_GDT     K    71_A     K    71_A      5   10   23      4    4    5    6    8   11   11   13   14   16   17   19   19   22   23   23   24   25   26   26 
LCS_GDT     K    72_A     K    72_A      5   10   23      3    4    5    6    8   11   11   13   14   15   16   17   19   22   23   23   24   25   26   26 
LCS_GDT     G    73_A     G    73_A      4   10   23      3    4    6    6    8   11   11   13   14   16   17   19   19   22   23   23   24   25   26   26 
LCS_GDT     F    74_A     F    74_A      3    9   23      3    3    5    6    8   11   11   13   14   16   17   19   19   22   23   23   24   25   26   26 
LCS_GDT     M    75_A     M    75_A      3    8   23      3    3    3    4    7   10   11   13   14   16   17   19   19   22   23   23   24   25   26   26 
LCS_GDT     K    76_A     K    76_A      3    4   23      3    3    3    4    6    7    9   11   14   16   17   19   19   22   23   23   24   25   26   26 
LCS_GDT     L    77_A     L    77_A      3    4   23      3    3    3    4    6    7    9   10   11   16   17   19   19   22   23   23   24   25   26   26 
LCS_GDT     F    78_A     F    78_A      3    4   23      3    3    3    4    5    7   10   12   14   16   17   19   19   22   23   23   24   25   26   26 
LCS_GDT     D    79_A     D    79_A      3    4   23      3    3    3    4    6    7    9   11   13   16   17   19   19   22   23   23   24   25   26   26 
LCS_GDT     L    80_A     L    80_A      3    3   23      0    3    3    3    5    7    9   10   11   13   14   17   19   22   23   23   24   25   26   26 
LCS_GDT     F    81_A     F    81_A      3    3   23      0    3    3    3    5    6    8   10   11   14   17   19   19   22   23   23   24   25   26   26 
LCS_AVERAGE  LCS_A:  46.91  (  19.55   46.60   74.59 )

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     15     24     29     34     39     46     52     54     57     58     60     60     60     60     62     62     63     63     64     64 
GDT PERCENT_AT  18.99  30.38  36.71  43.04  49.37  58.23  65.82  68.35  72.15  73.42  75.95  75.95  75.95  75.95  78.48  78.48  79.75  79.75  81.01  81.01
GDT RMS_LOCAL    0.23   0.62   0.83   1.08   1.66   1.84   2.11   2.24   2.48   2.56   2.81   2.81   2.81   2.81   3.41   3.41   3.66   3.66   3.93   3.93
GDT RMS_ALL_AT  19.75  19.16  19.04  18.88  18.09  18.42  18.35  18.25  18.18  18.19  18.28  18.28  18.28  18.28  18.47  18.47  18.47  18.47  18.60  18.60

# Checking swapping
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    81_A      F    81_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     3.225     0    0.075   0.721     3.878   48.333   46.667
LGA    L     4_A      L     4_A     3.543     0    0.104   0.191     5.719   53.810   41.607
LGA    L     5_A      L     5_A     3.031     4    0.053   0.053     3.270   57.381   28.690
LGA    C     6_A      C     6_A     1.782     0    0.013   0.057     2.944   64.881   66.190
LGA    P     7_A      P     7_A     2.300     0    0.054   0.087     3.702   57.738   66.667
LGA    N     8_A      N     8_A     4.153     0    0.079   1.067     5.738   35.000   35.357
LGA    C     9_A      C     9_A     4.904     0    0.022   0.808     5.540   29.048   34.127
LGA    Q    10_A      Q    10_A     4.729     0    0.213   1.164     8.102   32.857   24.233
LGA    V    11_A      V    11_A     4.195     0    0.096   0.367     5.217   43.571   41.088
LGA    G    12_A      G    12_A     2.596     0    0.034   0.034     3.163   63.214   63.214
LGA    M    13_A      M    13_A     1.345     0    0.046   0.974     2.443   75.119   76.250
LGA    R    14_A      R    14_A     2.337     0    0.025   1.207    10.506   66.786   39.004
LGA    E    15_A      E    15_A     2.791     0    0.042   0.744     3.475   53.571   58.942
LGA    V    16_A      V    16_A     3.231     0    0.181   1.093     5.658   55.357   49.048
LGA    E    17_A      E    17_A     1.489     0    0.124   0.532     2.610   69.048   76.190
LGA    R    18_A      R    18_A     2.642     3    0.029   1.072     3.436   61.071   43.117
LGA    R    19_A      R    19_A     3.282     5    0.035   0.293     3.573   53.571   27.359
LGA    G    20_A      G    20_A     2.628     0    0.033   0.033     2.628   60.952   60.952
LGA    V    21_A      V    21_A     1.604     0    0.067   0.283     1.936   79.405   79.048
LGA    L    22_A      L    22_A     1.405     0    0.056   0.999     5.188   77.143   61.786
LGA    I    23_A      I    23_A     2.278     0    0.151   1.194     4.793   62.857   57.798
LGA    D    24_A      D    24_A     1.680     0    0.114   0.208     1.878   72.857   75.000
LGA    V    25_A      V    25_A     1.724     0    0.090   0.973     4.244   75.000   64.558
LGA    C    26_A      C    26_A     1.284     0    0.020   0.098     1.866   79.286   77.143
LGA    P    27_A      P    27_A     1.396     0    0.034   0.059     1.948   77.143   82.857
LGA    Q    28_A      Q    28_A     2.135     0    0.136   0.911     5.197   66.786   53.757
LGA    C    29_A      C    29_A     3.234     0    0.094   0.121     3.476   51.786   52.381
LGA    G    30_A      G    30_A     3.036     0    0.015   0.015     3.105   53.571   53.571
LGA    G    31_A      G    31_A     2.205     0    0.075   0.075     2.475   66.786   66.786
LGA    V    32_A      V    32_A     2.076     0    0.049   1.434     4.438   68.810   59.184
LGA    W    33_A      W    33_A     1.332     0    0.043   1.221     6.064   77.143   59.354
LGA    L    34_A      L    34_A     1.560     0    0.070   0.668     3.249   77.143   69.286
LGA    D    35_A      D    35_A     1.242     0    0.138   1.230     4.646   81.429   70.060
LGA    K    36_A      K    36_A     1.780     0    0.030   0.904     3.164   72.857   68.519
LGA    G    37_A      G    37_A     1.519     0    0.055   0.055     1.565   77.143   77.143
LGA    E    38_A      E    38_A     1.348     0    0.036   0.987     4.307   81.429   71.958
LGA    L    39_A      L    39_A     1.414     0    0.008   0.107     1.551   81.429   79.286
LGA    E    40_A      E    40_A     1.333     0    0.015   1.014     3.368   81.429   74.180
LGA    K    41_A      K    41_A     1.360     0    0.042   0.730     3.097   81.429   74.180
LGA    L    42_A      L    42_A     1.548     0    0.033   0.933     5.453   79.286   64.583
LGA    L    43_A      L    43_A     1.157     0    0.021   1.016     3.601   85.952   77.857
LGA    A    44_A      A    44_A     0.670     0    0.029   0.029     0.870   92.857   92.381
LGA    E    45_A      E    45_A     0.649     0    0.026   1.136     4.039   90.476   71.958
LGA    A    46_A      A    46_A     1.152     0    0.062   0.062     1.449   83.690   83.238
LGA    E    47_A      E    47_A     1.136     0    0.021   0.691     2.890   83.690   75.185
LGA    E    48_A      E    48_A     0.786     0    0.033   0.866     4.677   90.476   72.063
LGA    V    49_A      V    49_A     0.564     0    0.020   0.102     0.938   90.476   91.837
LGA    E    50_A      E    50_A     1.594     0    0.029   1.396     7.305   72.976   52.169
LGA    R    51_A      R    51_A     1.960     0    0.019   0.771     5.592   70.833   47.662
LGA    R    52_A      R    52_A     1.668     0    0.054   1.650     9.253   70.833   44.719
LGA    Y    53_A      Y    53_A     1.900     0    0.030   1.372     7.937   66.905   49.325
LGA    E    54_A      E    54_A     2.683     0    0.024   1.127     4.961   57.262   57.884
LGA    E    55_A      E    55_A     2.913     0    0.132   0.688     4.784   50.357   46.032
LGA    E    56_A      E    56_A     3.452     0    0.559   1.099     6.945   59.405   37.513
LGA    L    57_A      L    57_A     2.559     0    0.618   1.254     9.407   66.905   39.405
LGA    E    58_A      E    58_A     3.118     0    0.615   0.630     5.023   57.500   46.349
LGA    G    59_A      G    59_A     5.454     0    0.044   0.044     5.454   27.500   27.500
LGA    F    60_A      F    60_A     7.716     0    0.635   0.814    13.335   11.786    4.329
LGA    Y    61_A      Y    61_A     6.737     0    0.651   1.231    11.133   11.667    7.143
LGA    R    62_A      R    62_A     8.506     0    0.627   0.849    17.972    2.500    0.952
LGA    K    63_A      K    63_A    13.760     2    0.682   0.607    15.924    0.000    0.000
LGA    E    64_A      E    64_A    17.747     0    0.618   1.067    22.847    0.000    0.000
LGA    G    65_A      G    65_A    15.192     0    0.588   0.588    15.942    0.000    0.000
LGA    K    66_A      K    66_A    14.729     3    0.056   0.064    16.903    0.000    0.000
LGA    P    67_A      P    67_A    16.714     0    0.136   0.140    18.315    0.000    0.000
LGA    Y    68_A      Y    68_A    21.626     0    0.124   0.227    30.805    0.000    0.000
LGA    K    69_A      K    69_A    24.578     2    0.103   0.601    25.504    0.000    0.000
LGA    R    70_A      R    70_A    28.123     0    0.048   0.980    34.825    0.000    0.000
LGA    K    71_A      K    71_A    29.130     0    0.629   1.305    32.780    0.000    0.000
LGA    K    72_A      K    72_A    34.884     0    0.534   1.561    36.042    0.000    0.000
LGA    G    73_A      G    73_A    37.450     0    0.342   0.342    38.138    0.000    0.000
LGA    F    74_A      F    74_A    38.338     0    0.619   1.423    42.371    0.000    0.000
LGA    M    75_A      M    75_A    40.914     0    0.664   1.405    42.929    0.000    0.000
LGA    K    76_A      K    76_A    41.828     0    0.641   1.004    45.461    0.000    0.000
LGA    L    77_A      L    77_A    44.357     0    0.619   1.416    48.382    0.000    0.000
LGA    F    78_A      F    78_A    50.102     0    0.677   1.442    54.755    0.000    0.000
LGA    D    79_A      D    79_A    52.376     0    0.702   0.689    56.228    0.000    0.000
LGA    L    80_A      L    80_A    56.879     0    0.637   1.307    60.772    0.000    0.000
LGA    F    81_A      F    81_A    62.276     0    0.650   1.109    66.521    0.000    0.000

# 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):    16.373         16.522                 17.592           48.703   42.995

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     54    2.24    55.063    55.875     2.309

LGA_LOCAL      RMSD:   2.238  Number of atoms:   54  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.251  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:  16.373  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.262635 * X  +   0.461875 * Y  +   0.847168 * Z  + -16.698399
  Y_new =  -0.685000 * X  +  -0.707601 * Y  +   0.173423 * Z  + -25.544188
  Z_new =   0.679557 * X  +  -0.534763 * Y  +   0.502225 * Z  +  27.586622 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.936919 -0.747159 -0.816765   [DEG: -110.9773  -42.8091  -46.7972 ]
ZXZ:  1.772716  1.044626  2.237516   [DEG:  101.5691   59.8527  128.2002 ]
 
# END of job
