
#######################################################
#                                                     #
#                        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:    74       4_A - 77_A        4.99     6.05
  LCS_AVERAGE:     92.92

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41      31_A - 71_A        1.97     7.12
  LCS_AVERAGE:     45.83

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      31_A - 62_A        0.99     7.11
  LONGEST_CONTINUOUS_SEGMENT:    32      32_A - 63_A        0.99     7.06
  LCS_AVERAGE:     32.56

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      3   34   73      0    4    4    4    4    4    4   30   34   34   35   38   38   45   54   58   63   69   70   73 
LCS_GDT     L     4_A     L     4_A     30   37   74     11   23   28   31   33   35   36   37   42   55   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     L     5_A     L     5_A     30   37   74     10   23   28   31   33   35   36   37   39   44   54   59   62   65   69   70   71   73   75   75 
LCS_GDT     C     6_A     C     6_A     30   37   74     10   23   28   31   33   35   36   37   50   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     P     7_A     P     7_A     30   37   74      7   20   28   31   33   35   36   37   39   42   44   57   62   65   69   70   71   73   75   75 
LCS_GDT     N     8_A     N     8_A     30   37   74     10   20   28   31   33   35   36   37   39   42   45   59   62   65   69   70   71   73   75   75 
LCS_GDT     C     9_A     C     9_A     30   37   74      6   20   28   31   33   35   36   37   39   48   54   59   62   65   69   70   71   73   75   75 
LCS_GDT     Q    10_A     Q    10_A     30   37   74     11   23   28   31   33   35   36   37   39   42   44   48   61   64   69   70   71   73   75   75 
LCS_GDT     V    11_A     V    11_A     30   37   74     10   23   28   31   33   35   36   37   39   46   53   58   61   65   69   70   71   73   75   75 
LCS_GDT     G    12_A     G    12_A     30   37   74     11   23   28   31   33   35   36   37   42   46   53   58   62   65   69   70   71   73   75   75 
LCS_GDT     M    13_A     M    13_A     30   37   74     11   23   28   31   33   35   38   46   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     R    14_A     R    14_A     30   37   74     11   23   28   31   33   35   36   37   42   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    15_A     E    15_A     30   37   74     11   23   28   31   33   35   36   37   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     V    16_A     V    16_A     30   37   74     10   23   28   31   33   35   36   37   39   42   54   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    17_A     E    17_A     30   37   74      9   23   28   31   33   35   36   37   39   42   45   59   62   64   69   70   71   73   75   75 
LCS_GDT     R    18_A     R    18_A     30   37   74      6   10   23   31   33   35   36   37   39   42   43   45   49   61   68   70   71   73   75   75 
LCS_GDT     R    19_A     R    19_A     30   37   74      6   10   14   31   32   35   36   37   39   41   43   44   46   50   53   61   71   73   75   75 
LCS_GDT     G    20_A     G    20_A     30   37   74      6   16   28   31   33   35   36   37   39   42   43   44   52   63   68   70   71   73   75   75 
LCS_GDT     V    21_A     V    21_A     30   37   74      9   23   28   31   33   35   36   37   39   42   54   59   62   64   69   70   71   73   75   75 
LCS_GDT     L    22_A     L    22_A     30   37   74     11   23   28   31   33   35   43   46   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     I    23_A     I    23_A     30   37   74      9   23   28   31   33   40   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     D    24_A     D    24_A     30   37   74     11   23   28   31   35   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     V    25_A     V    25_A     30   37   74     11   23   28   31   33   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     C    26_A     C    26_A     30   37   74     11   23   28   31   33   41   43   46   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     P    27_A     P    27_A     30   37   74      8   23   28   31   33   35   36   40   50   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     Q    28_A     Q    28_A     30   39   74      8   23   28   31   33   35   43   46   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     C    29_A     C    29_A     30   40   74      8   23   28   31   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     G    30_A     G    30_A     30   40   74     11   23   28   31   33   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     G    31_A     G    31_A     32   41   74      8   23   28   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     V    32_A     V    32_A     32   41   74      9   23   28   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     W    33_A     W    33_A     32   41   74     17   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     L    34_A     L    34_A     32   41   74     12   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     D    35_A     D    35_A     32   41   74      6   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     K    36_A     K    36_A     32   41   74     14   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     G    37_A     G    37_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    38_A     E    38_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     L    39_A     L    39_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    40_A     E    40_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     K    41_A     K    41_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     L    42_A     L    42_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     L    43_A     L    43_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     A    44_A     A    44_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    45_A     E    45_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     A    46_A     A    46_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    47_A     E    47_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    48_A     E    48_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     V    49_A     V    49_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    50_A     E    50_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     R    51_A     R    51_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     R    52_A     R    52_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     Y    53_A     Y    53_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    54_A     E    54_A     32   41   74     18   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    55_A     E    55_A     32   41   74     14   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    56_A     E    56_A     32   41   74      8   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     L    57_A     L    57_A     32   41   74     17   25   30   34   36   41   43   47   50   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    58_A     E    58_A     32   41   74      6   25   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     G    59_A     G    59_A     32   41   74     12   23   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     F    60_A     F    60_A     32   41   74      7   23   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     Y    61_A     Y    61_A     32   41   74     12   23   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     R    62_A     R    62_A     32   41   74      7   21   30   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     K    63_A     K    63_A     32   41   74      8   15   26   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     E    64_A     E    64_A     21   41   74      5   14   26   34   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     G    65_A     G    65_A     19   41   74      3   10   25   31   36   41   43   47   51   56   57   59   62   65   68   70   71   73   75   75 
LCS_GDT     K    66_A     K    66_A      9   41   74      4   11   25   31   36   41   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     P    67_A     P    67_A      7   41   74      3    8   16   29   34   39   43   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     Y    68_A     Y    68_A      7   41   74      3    6    8   24   34   38   40   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     K    69_A     K    69_A      7   41   74      3    6   11   22   34   38   40   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     R    70_A     R    70_A      4   41   74      3    4    8   15   34   38   40   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     K    71_A     K    71_A      3   41   74      3    5    8   17   34   38   40   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     K    72_A     K    72_A      9   39   74      6    9   10   12   12   12   27   39   41   44   49   59   62   65   69   70   71   73   75   75 
LCS_GDT     G    73_A     G    73_A      9   11   74      6    9   10   12   12   19   31   44   50   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     F    74_A     F    74_A      9   11   74      6    9   10   12   12   20   28   47   51   56   57   59   62   65   69   70   71   73   75   75 
LCS_GDT     M    75_A     M    75_A      9   11   74      6    9   10   12   12   12   14   15   23   40   43   46   52   58   61   68   71   73   75   75 
LCS_GDT     K    76_A     K    76_A      9   11   74      6    9   10   17   26   32   35   37   39   42   44   47   49   54   56   63   69   73   75   75 
LCS_GDT     L    77_A     L    77_A      9   11   74      6    9   10   12   16   29   34   37   39   42   46   48   56   65   69   70   71   73   75   75 
LCS_GDT     F    78_A     F    78_A      9   11   70      6    9   10   12   12   17   35   39   41   44   46   48   52   61   69   70   71   73   75   75 
LCS_GDT     D    79_A     D    79_A      9   11   65      5    9   10   12   18   24   34   37   38   41   41   43   45   46   47   48   50   53   55   59 
LCS_GDT     L    80_A     L    80_A      9   11   61      3    6   23   28   33   35   36   37   38   41   41   43   44   46   47   48   49   52   55   56 
LCS_GDT     F    81_A     F    81_A      5   11   54      0    3    6   31   32   34   36   37   37   39   40   41   44   46   47   47   49   51   53   54 
LCS_AVERAGE  LCS_A:  57.10  (  32.56   45.83   92.92 )

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     18     25     30     34     36     41     43     47     51     56     57     59     62     65     69     70     71     73     75     75 
GDT PERCENT_AT  22.78  31.65  37.97  43.04  45.57  51.90  54.43  59.49  64.56  70.89  72.15  74.68  78.48  82.28  87.34  88.61  89.87  92.41  94.94  94.94
GDT RMS_LOCAL    0.26   0.50   0.82   1.13   1.35   1.89   2.05   2.46   2.90   3.20   3.29   3.48   3.72   3.99   4.46   4.46   4.59   4.79   5.07   5.07
GDT RMS_ALL_AT   7.89   7.51   7.14   6.98   6.91   6.70   6.64   6.56   6.37   6.31   6.28   6.25   6.23   6.18   6.08   6.10   6.07   6.06   6.03   6.03

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  F    78_A      F    78_A
#   possible swapping detected:  D    79_A      D    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A    14.541     0    0.207   1.357    17.102    0.000    0.000
LGA    L     4_A      L     4_A     8.200     0    0.622   0.524    10.696    3.571   10.298
LGA    L     5_A      L     5_A     9.078     4    0.049   0.049     9.078    4.643    2.321
LGA    C     6_A      C     6_A     6.794     0    0.020   0.089     8.983    7.619   11.667
LGA    P     7_A      P     7_A     8.630     0    0.018   0.030    10.224    3.929    7.891
LGA    N     8_A      N     8_A     8.190     0    0.245   0.240     9.791    3.810    8.988
LGA    C     9_A      C     9_A     9.585     0    0.618   0.535    11.380    0.833    2.698
LGA    Q    10_A      Q    10_A    11.582     0    0.173   1.038    13.651    0.000    0.000
LGA    V    11_A      V    11_A    11.114     0    0.039   0.106    11.599    0.357    0.272
LGA    G    12_A      G    12_A    10.423     0    0.055   0.055    10.944    0.714    0.714
LGA    M    13_A      M    13_A     7.178     0    0.026   0.928     8.216    6.667   17.440
LGA    R    14_A      R    14_A     7.952     0    0.022   1.138    17.155   12.976    4.978
LGA    E    15_A      E    15_A     6.724     0    0.015   0.685     8.641    8.333   21.746
LGA    V    16_A      V    16_A     7.839     0    0.035   1.120     8.529   11.905    9.796
LGA    E    17_A      E    17_A     8.355     0    0.014   0.152    10.116    2.738    2.646
LGA    R    18_A      R    18_A     9.811     3    0.070   0.556    10.427    1.190    0.649
LGA    R    19_A      R    19_A    11.809     5    0.008   0.397    14.051    0.000    0.000
LGA    G    20_A      G    20_A     9.597     0    0.015   0.015    10.342    3.095    3.095
LGA    V    21_A      V    21_A     7.075     0    0.030   0.050     8.223   11.310   11.633
LGA    L    22_A      L    22_A     4.696     0    0.013   0.909     5.246   37.738   39.821
LGA    I    23_A      I    23_A     3.549     0    0.042   0.227     5.291   41.905   39.048
LGA    D    24_A      D    24_A     3.152     0    0.035   0.376     3.488   55.476   53.631
LGA    V    25_A      V    25_A     4.096     0    0.066   0.148     5.677   33.333   33.333
LGA    C    26_A      C    26_A     5.005     0    0.137   0.214     5.971   26.548   27.460
LGA    P    27_A      P    27_A     7.972     0    0.033   0.068     9.259    7.024    5.442
LGA    Q    28_A      Q    28_A     7.795     0    0.255   1.155     9.542    8.690    5.238
LGA    C    29_A      C    29_A     4.399     0    0.037   0.798     5.280   39.167   37.698
LGA    G    30_A      G    30_A     3.656     0    0.036   0.036     3.850   50.238   50.238
LGA    G    31_A      G    31_A     1.394     0    0.059   0.059     2.149   73.095   73.095
LGA    V    32_A      V    32_A     1.345     0    0.036   1.106     5.032   77.262   67.551
LGA    W    33_A      W    33_A     1.788     0    0.087   0.169     7.314   79.286   42.993
LGA    L    34_A      L    34_A     1.607     0    0.098   0.766     3.889   72.857   65.179
LGA    D    35_A      D    35_A     1.344     0    0.103   1.247     4.581   81.429   72.024
LGA    K    36_A      K    36_A     1.756     0    0.022   0.889     6.149   70.833   58.148
LGA    G    37_A      G    37_A     2.371     0    0.098   0.098     2.371   64.762   64.762
LGA    E    38_A      E    38_A     1.992     0    0.011   0.236     3.503   70.833   61.852
LGA    L    39_A      L    39_A     1.498     0    0.013   1.407     4.346   77.143   67.679
LGA    E    40_A      E    40_A     1.617     0    0.027   0.098     1.762   72.857   72.857
LGA    K    41_A      K    41_A     1.598     0    0.031   0.512     3.350   77.143   69.683
LGA    L    42_A      L    42_A     1.391     0    0.012   1.363     3.843   81.429   73.512
LGA    L    43_A      L    43_A     1.117     0    0.021   0.067     1.243   81.429   81.429
LGA    A    44_A      A    44_A     1.164     0    0.040   0.041     1.354   83.690   83.238
LGA    E    45_A      E    45_A     1.159     0    0.025   0.864     3.049   81.429   74.180
LGA    A    46_A      A    46_A     1.128     0    0.040   0.042     1.364   81.429   81.429
LGA    E    47_A      E    47_A     1.284     0    0.028   0.563     3.682   81.429   69.947
LGA    E    48_A      E    48_A     1.092     0    0.036   0.840     3.229   79.286   76.085
LGA    V    49_A      V    49_A     1.755     0    0.014   0.038     2.206   72.976   71.769
LGA    E    50_A      E    50_A     2.163     0    0.016   0.672     3.137   66.786   64.921
LGA    R    51_A      R    51_A     1.998     0    0.032   1.426     9.747   68.810   44.286
LGA    R    52_A      R    52_A     1.938     0    0.020   1.223     6.225   68.810   57.922
LGA    Y    53_A      Y    53_A     2.544     0    0.030   1.280    10.849   59.048   32.857
LGA    E    54_A      E    54_A     2.885     0    0.020   0.515     4.330   57.143   50.265
LGA    E    55_A      E    55_A     1.895     0    0.012   0.103     2.194   70.833   72.910
LGA    E    56_A      E    56_A     1.620     0    0.019   0.791     3.518   70.833   63.492
LGA    L    57_A      L    57_A     3.103     0    0.029   0.142     5.544   55.357   43.631
LGA    E    58_A      E    58_A     2.920     0    0.031   0.928     5.868   60.952   43.228
LGA    G    59_A      G    59_A     1.244     0    0.061   0.061     1.811   79.286   79.286
LGA    F    60_A      F    60_A     1.461     0    0.015   0.077     1.992   77.143   74.416
LGA    Y    61_A      Y    61_A     2.298     0    0.077   1.379    11.142   68.810   35.119
LGA    R    62_A      R    62_A     1.800     0    0.015   1.421     6.148   77.143   62.814
LGA    K    63_A      K    63_A     0.315     2    0.059   0.669     2.671   97.619   70.899
LGA    E    64_A      E    64_A     0.494     0    0.144   0.230     1.306   97.619   89.630
LGA    G    65_A      G    65_A     1.287     0    0.215   0.215     1.934   79.286   79.286
LGA    K    66_A      K    66_A     1.391     3    0.082   0.706     2.603   71.190   47.037
LGA    P    67_A      P    67_A     2.722     0    0.013   0.385     2.942   59.048   61.565
LGA    Y    68_A      Y    68_A     4.196     0    0.090   0.244     8.355   33.333   20.040
LGA    K    69_A      K    69_A     4.275     2    0.590   0.728     5.498   41.786   29.788
LGA    R    70_A      R    70_A     4.123     0    0.650   1.619     9.638   34.405   22.771
LGA    K    71_A      K    71_A     4.612     0    0.131   0.708     6.276   26.786   24.974
LGA    K    72_A      K    72_A     8.202     0    0.401   0.718    16.606    8.214    3.651
LGA    G    73_A      G    73_A     4.979     0    0.103   0.103     5.716   27.619   27.619
LGA    F    74_A      F    74_A     4.339     0    0.027   0.237     9.607   28.690   17.143
LGA    M    75_A      M    75_A    10.456     0    0.102   0.887    17.968    1.190    0.595
LGA    K    76_A      K    76_A    11.976     0    0.012   0.161    15.444    0.000    0.000
LGA    L    77_A      L    77_A     8.507     0    0.068   1.417     9.699    2.619    3.750
LGA    F    78_A      F    78_A     9.102     0    0.121   0.242    12.533    1.548    5.628
LGA    D    79_A      D    79_A    15.959     0    0.122   1.081    18.543    0.000    0.000
LGA    L    80_A      L    80_A    16.100     0    0.632   1.190    16.415    0.000    0.000
LGA    F    81_A      F    81_A    16.057     0    0.217   1.171    18.378    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):     5.989          6.033                  6.616           42.232   37.540

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     47    2.46    55.696    54.372     1.835

LGA_LOCAL      RMSD:   2.461  Number of atoms:   47  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.564  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   5.989  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.489784 * X  +  -0.388903 * Y  +  -0.780299 * Z  + -19.093924
  Y_new =  -0.610782 * X  +  -0.791719 * Y  +   0.011214 * Z  +  -6.821665
  Z_new =  -0.622138 * X  +   0.471100 * Y  +  -0.625307 * Z  +  33.381218 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.894900  0.671471  2.495925   [DEG:  -51.2740   38.4725  143.0060 ]
ZXZ: -1.585167  2.246321 -0.922686   [DEG:  -90.8234  128.7047  -52.8660 ]
 
# END of job
