
#######################################################
#                                                     #
#                        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:    41       3_A - 43_A        4.80    29.02
  LCS_AVERAGE:     44.02

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      29_A - 47_A        1.61    16.27
  LCS_AVERAGE:     16.70

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      32_A - 46_A        0.89    16.08
  LCS_AVERAGE:     10.96

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      5   15   41      2    4    9   14   23   25   28   30   31   32   34   36   37   38   39   39   40   41   41   44 
LCS_GDT     L     4_A     L     4_A      8   15   41      3   11   13   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     L     5_A     L     5_A     11   15   41      3    7   14   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     C     6_A     C     6_A     11   15   41      7   11   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     P     7_A     P     7_A     11   15   41      7   11   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     N     8_A     N     8_A     11   15   41      4    9   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     C     9_A     C     9_A     11   15   41      7   11   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     Q    10_A     Q    10_A     11   15   41      6   11   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     V    11_A     V    11_A     11   15   41      7   11   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     G    12_A     G    12_A     11   15   41      3    7   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     M    13_A     M    13_A     11   15   41      7   11   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     R    14_A     R    14_A     11   15   41      7   11   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     E    15_A     E    15_A     11   15   41      7   11   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     V    16_A     V    16_A      4   15   41      3    4    5   13   21   24   28   29   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     E    17_A     E    17_A      4   15   41      3    5   14   19   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     R    18_A     R    18_A      4   15   41      3    4    7   16   21   24   28   29   31   33   35   36   37   38   39   39   40   42   43   45 
LCS_GDT     R    19_A     R    19_A      3    8   41      3    3    5    6    9   11   19   21   28   33   35   36   37   38   39   39   41   44   48   48 
LCS_GDT     G    20_A     G    20_A      3    8   41      3    4    5    9   15   22   25   27   31   33   35   36   37   38   39   39   43   46   48   48 
LCS_GDT     V    21_A     V    21_A      6   12   41      4    6   10   16   21   24   28   29   31   33   35   36   37   38   39   39   42   46   48   48 
LCS_GDT     L    22_A     L    22_A      6   12   41      4    7   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   42   43   45 
LCS_GDT     I    23_A     I    23_A      6   12   41      4    6   14   19   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     D    24_A     D    24_A      6   13   41      6    9   13   19   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     V    25_A     V    25_A      8   13   41      4    6   14   20   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     C    26_A     C    26_A      8   13   41      4   11   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     P    27_A     P    27_A      8   13   41      3    7   12   18   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     Q    28_A     Q    28_A      8   13   41      6    8   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     C    29_A     C    29_A      8   19   41      6    7   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     G    30_A     G    30_A     13   19   41      6   13   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     G    31_A     G    31_A     13   19   41      6    8   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     V    32_A     V    32_A     15   19   41      6   13   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     W    33_A     W    33_A     15   19   41      3   13   16   17   19   25   28   30   31   33   35   36   37   38   39   39   40   41   41   44 
LCS_GDT     L    34_A     L    34_A     15   19   41      7   13   16   21   24   26   28   30   31   33   35   36   37   38   39   39   40   42   43   45 
LCS_GDT     D    35_A     D    35_A     15   19   41      3   13   16   17   18   23   27   30   31   32   33   36   37   38   38   39   42   46   48   48 
LCS_GDT     K    36_A     K    36_A     15   19   41      4   13   16   17   22   24   27   30   31   32   33   36   37   38   38   41   43   46   48   48 
LCS_GDT     G    37_A     G    37_A     15   19   41      4   13   16   21   24   26   28   30   31   33   35   36   37   38   39   41   43   46   48   48 
LCS_GDT     E    38_A     E    38_A     15   19   41      6   13   16   17   18   22   25   27   31   33   35   36   37   38   39   39   43   46   48   48 
LCS_GDT     L    39_A     L    39_A     15   19   41      5   13   16   17   20   24   25   28   31   33   35   35   37   38   39   41   43   46   48   48 
LCS_GDT     E    40_A     E    40_A     15   19   41      5   13   16   17   19   22   25   26   30   32   35   35   36   38   39   41   43   46   48   48 
LCS_GDT     K    41_A     K    41_A     15   19   41      6   13   16   17   18   18   18   22   24   27   31   34   36   36   39   41   43   46   48   48 
LCS_GDT     L    42_A     L    42_A     15   19   41      6   13   16   17   18   18   18   22   24   27   28   30   32   34   38   41   43   46   48   48 
LCS_GDT     L    43_A     L    43_A     15   19   41      6   13   16   17   18   18   18   22   24   27   27   29   31   32   35   41   43   46   48   48 
LCS_GDT     A    44_A     A    44_A     15   19   34      6   11   16   17   18   18   18   22   24   27   28   30   31   32   35   41   43   46   48   48 
LCS_GDT     E    45_A     E    45_A     15   19   34      6   12   16   17   18   18   18   20   24   27   27   28   30   32   35   41   43   46   48   48 
LCS_GDT     A    46_A     A    46_A     15   19   34      6   13   16   17   18   18   18   19   20   26   27   28   30   32   35   41   43   46   48   48 
LCS_GDT     E    47_A     E    47_A     14   19   34      4   11   13   17   18   18   18   22   24   27   27   28   30   32   35   41   43   46   48   48 
LCS_GDT     E    48_A     E    48_A      6   17   34      3    6    8   11   12   16   18   22   24   27   27   28   30   32   35   41   43   46   48   48 
LCS_GDT     V    49_A     V    49_A      6   11   34      3    6    8   11   12   16   18   22   24   27   27   28   30   32   35   41   43   46   48   48 
LCS_GDT     E    50_A     E    50_A      6   11   34      4    7    8   11   12   16   18   22   24   27   27   28   29   30   34   41   43   46   48   48 
LCS_GDT     R    51_A     R    51_A      6   11   34      4    7    8   11   12   16   18   22   24   27   27   28   30   32   35   41   43   46   48   48 
LCS_GDT     R    52_A     R    52_A      6   11   34      4    7    8   11   12   16   18   22   24   27   27   28   30   32   35   41   43   46   48   48 
LCS_GDT     Y    53_A     Y    53_A      6   11   34      4    7    8   11   12   16   17   21   24   27   27   28   29   30   35   41   43   46   48   48 
LCS_GDT     E    54_A     E    54_A      6   11   34      0    5    8   11   12   16   18   22   24   27   27   28   29   30   34   36   38   39   44   46 
LCS_GDT     E    55_A     E    55_A      3   11   34      1    6    8   11   12   16   18   22   24   27   27   28   29   30   34   37   38   38   43   45 
LCS_GDT     E    56_A     E    56_A      3   11   34      3    7    8   11   12   16   18   22   24   27   27   28   30   32   35   41   43   46   48   48 
LCS_GDT     L    57_A     L    57_A      3    9   34      3    3    6    7   10   12   17   21   24   27   27   28   29   32   34   40   43   46   48   48 
LCS_GDT     E    58_A     E    58_A      4    5   33      3    4    5    6    8    9   12   15   18   21   25   28   30   32   35   41   43   46   48   48 
LCS_GDT     G    59_A     G    59_A      4    5   33      3    4    5    7    8    9   13   15   18   20   24   28   30   32   35   41   43   46   48   48 
LCS_GDT     F    60_A     F    60_A      4    5   32      4    4    6    6    8    9   11   13   17   19   23   28   30   32   35   41   43   46   48   48 
LCS_GDT     Y    61_A     Y    61_A      4    5   32      4    4    5    6    6    8   10   13   17   21   23   28   30   32   35   41   43   46   48   48 
LCS_GDT     R    62_A     R    62_A      4    5   23      4    4    4    4    6    7    9   11   15   19   23   28   30   32   35   41   43   46   48   48 
LCS_GDT     K    63_A     K    63_A      5    8   23      4    4    6    7    8    9   10   11   15   16   20   22   26   31   35   41   43   46   48   48 
LCS_GDT     E    64_A     E    64_A      6    8   23      3    5    6    7    8    9   10   11   14   16   20   21   26   31   34   41   43   46   48   48 
LCS_GDT     G    65_A     G    65_A      6    8   23      3    5    6    7    8    9   10   11   13   15   18   21   24   29   34   38   43   45   48   48 
LCS_GDT     K    66_A     K    66_A      6    8   23      3    5    6    7    8    9   10   11   15   16   20   24   26   32   35   41   43   46   48   48 
LCS_GDT     P    67_A     P    67_A      6    8   23      3    5    6    7    8    9   10   11   15   16   20   22   25   31   35   41   43   46   48   48 
LCS_GDT     Y    68_A     Y    68_A      6    8   23      3    5    6    7    8    9   10   11   15   16   20   24   26   32   35   41   43   46   48   48 
LCS_GDT     K    69_A     K    69_A      6    8   23      1    4    6    7    8    9   10   11   13   18   20   22   26   31   35   41   43   46   48   48 
LCS_GDT     R    70_A     R    70_A      3    8   23      3    3    4    5    7   11   12   15   17   18   20   22   24   29   35   41   43   46   48   48 
LCS_GDT     K    71_A     K    71_A      3   11   23      3    3    5    6    8   10   12   14   17   18   20   25   29   32   35   41   43   46   48   48 
LCS_GDT     K    72_A     K    72_A      9   11   23      3    8    8    9   10   11   12   13   17   18   20   22   26   32   35   41   43   46   48   48 
LCS_GDT     G    73_A     G    73_A      9   11   23      6    8    8    9   10   11   13   15   17   18   21   28   30   32   35   41   43   46   48   48 
LCS_GDT     F    74_A     F    74_A      9   11   23      6    8    8    9   10   11   13   15   17   21   23   28   30   32   35   41   43   46   48   48 
LCS_GDT     M    75_A     M    75_A      9   11   23      6    8    8    9   10   11   12   15   17   18   20   28   30   32   35   41   43   46   48   48 
LCS_GDT     K    76_A     K    76_A      9   11   23      6    8    8    9   10   11   13   15   17   18   21   28   30   32   35   41   43   46   48   48 
LCS_GDT     L    77_A     L    77_A      9   11   23      6    8    8    9   10   11   13   15   17   21   23   28   30   32   35   41   43   46   48   48 
LCS_GDT     F    78_A     F    78_A      9   11   23      6    8    8    9   10   11   13   15   17   21   23   28   30   32   35   41   43   46   48   48 
LCS_GDT     D    79_A     D    79_A      9   11   23      3    8    8    9   10   11   13   15   17   19   23   28   30   32   35   41   43   46   48   48 
LCS_GDT     L    80_A     L    80_A      9   11   23      3    4    8    9   10   10   13   15   17   21   30   32   36   37   39   41   43   46   48   48 
LCS_GDT     F    81_A     F    81_A      4   11   23      3    4    4    6   10   10   13   15   17   21   23   28   30   37   39   41   43   46   48   48 
LCS_AVERAGE  LCS_A:  23.89  (  10.96   16.70   44.02 )

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      7     13     16     21     24     26     28     30     31     33     35     36     37     38     39     41     43     46     48     48 
GDT PERCENT_AT   8.86  16.46  20.25  26.58  30.38  32.91  35.44  37.97  39.24  41.77  44.30  45.57  46.84  48.10  49.37  51.90  54.43  58.23  60.76  60.76
GDT RMS_LOCAL    0.33   0.70   0.88   1.32   1.49   1.66   1.91   2.16   2.35   2.81   3.18   3.36   3.45   3.60   3.88   5.94   6.13   6.41   6.61   6.61
GDT RMS_ALL_AT  32.33  16.09  16.05  31.69  31.70  31.43  31.84  32.24  32.12  30.30  29.72  31.02  30.77  30.42  29.16  21.54  20.97  20.58  20.51  20.51

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  F    74_A      F    74_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     3.556     0    0.694   1.307     8.208   54.167   37.143
LGA    L     4_A      L     4_A     1.408     0    0.106   0.118     4.551   69.286   60.060
LGA    L     5_A      L     5_A     2.047     4    0.561   0.561     3.805   65.833   32.917
LGA    C     6_A      C     6_A     0.472     0    0.102   0.673     3.039   95.238   86.905
LGA    P     7_A      P     7_A     0.950     0    0.309   0.302     2.445   81.786   76.803
LGA    N     8_A      N     8_A     1.727     0    0.561   0.618     5.175   71.071   55.476
LGA    C     9_A      C     9_A     1.214     0    0.265   0.279     1.542   83.810   81.587
LGA    Q    10_A      Q    10_A     0.447     0    0.267   1.140     4.660   86.429   72.910
LGA    V    11_A      V    11_A     0.301     0    0.143   1.157     4.682   82.262   69.048
LGA    G    12_A      G    12_A     1.867     0    0.145   0.145     1.867   79.405   79.405
LGA    M    13_A      M    13_A     0.828     0    0.117   0.873     4.535   81.786   67.440
LGA    R    14_A      R    14_A     0.972     0    0.532   0.901     4.249   70.476   64.892
LGA    E    15_A      E    15_A     0.764     0    0.073   0.980     7.423   67.976   46.561
LGA    V    16_A      V    16_A     5.892     0    0.152   1.023    10.404   25.119   14.830
LGA    E    17_A      E    17_A     3.367     0    0.609   1.087     6.744   32.619   32.063
LGA    R    18_A      R    18_A     7.772     3    0.502   0.694     8.885    7.500    4.329
LGA    R    19_A      R    19_A    11.864     5    0.565   0.754    14.277    0.000    0.000
LGA    G    20_A      G    20_A    10.340     0    0.054   0.054    10.504    0.714    0.714
LGA    V    21_A      V    21_A     6.602     0    0.516   0.618     8.204   12.381   15.034
LGA    L    22_A      L    22_A     2.194     0    0.080   0.341     7.398   62.976   47.083
LGA    I    23_A      I    23_A     3.028     0    0.108   1.232     9.529   61.429   36.369
LGA    D    24_A      D    24_A     2.088     0    0.103   0.998     8.731   64.048   38.810
LGA    V    25_A      V    25_A     1.994     0    0.348   0.499     6.156   83.810   58.707
LGA    C    26_A      C    26_A     1.072     0    0.156   0.181     1.843   79.286   77.143
LGA    P    27_A      P    27_A     2.921     0    0.119   0.376     4.270   57.619   52.585
LGA    Q    28_A      Q    28_A     1.619     0    0.120   0.789     5.684   75.000   58.307
LGA    C    29_A      C    29_A     1.500     0    0.079   0.762     3.054   75.476   70.794
LGA    G    30_A      G    30_A     2.375     0    0.536   0.536     2.375   68.810   68.810
LGA    G    31_A      G    31_A     1.792     0    0.166   0.166     2.256   75.238   75.238
LGA    V    32_A      V    32_A     1.808     0    0.107   1.033     6.425   61.905   44.762
LGA    W    33_A      W    33_A     3.220     0    0.082   1.268    14.985   63.214   20.136
LGA    L    34_A      L    34_A     0.749     0    0.155   1.188     7.108   66.310   49.821
LGA    D    35_A      D    35_A     4.109     0    0.103   1.353    10.361   62.381   34.286
LGA    K    36_A      K    36_A     3.723     0    0.055   0.850    12.485   50.714   26.720
LGA    G    37_A      G    37_A     2.735     0    0.048   0.048     6.905   48.095   48.095
LGA    E    38_A      E    38_A     7.014     0    0.039   1.044    12.658   12.976    7.196
LGA    L    39_A      L    39_A     7.847     0    0.031   0.097    12.198    7.262    4.881
LGA    E    40_A      E    40_A    10.527     0    0.048   1.036    14.708    0.714    5.238
LGA    K    41_A      K    41_A    14.196     0    0.102   0.232    18.493    0.000    0.000
LGA    L    42_A      L    42_A    16.873     0    0.057   1.338    21.000    0.000    0.000
LGA    L    43_A      L    43_A    19.599     0    0.058   0.081    23.682    0.000    0.000
LGA    A    44_A      A    44_A    21.675     0    0.038   0.039    26.199    0.000    0.000
LGA    E    45_A      E    45_A    25.827     0    0.060   1.289    30.030    0.000    0.000
LGA    A    46_A      A    46_A    28.260     0    0.073   0.074    32.492    0.000    0.000
LGA    E    47_A      E    47_A    30.463     0    0.135   0.634    32.578    0.000    0.000
LGA    E    48_A      E    48_A    33.626     0    0.095   0.290    37.532    0.000    0.000
LGA    V    49_A      V    49_A    33.310     0    0.123   0.127    36.702    0.000    0.000
LGA    E    50_A      E    50_A    35.529     0    0.061   0.590    39.769    0.000    0.000
LGA    R    51_A      R    51_A    39.617     0    0.274   0.966    43.528    0.000    0.000
LGA    R    52_A      R    52_A    42.527     0    0.316   1.177    45.311    0.000    0.000
LGA    Y    53_A      Y    53_A    43.718     0    0.605   1.221    45.112    0.000    0.000
LGA    E    54_A      E    54_A    47.140     0    0.595   1.296    50.125    0.000    0.000
LGA    E    55_A      E    55_A    50.636     0    0.089   0.213    54.676    0.000    0.000
LGA    E    56_A      E    56_A    53.964     0    0.563   0.988    56.250    0.000    0.000
LGA    L    57_A      L    57_A    55.968     0    0.067   0.124    57.531    0.000    0.000
LGA    E    58_A      E    58_A    58.404     0    0.647   0.646    61.643    0.000    0.000
LGA    G    59_A      G    59_A    63.244     0    0.042   0.042    66.585    0.000    0.000
LGA    F    60_A      F    60_A    64.254     0    0.494   1.387    65.120    0.000    0.000
LGA    Y    61_A      Y    61_A    65.237     0    0.242   1.531    67.956    0.000    0.000
LGA    R    62_A      R    62_A    68.483     0    0.617   1.038    74.704    0.000    0.000
LGA    K    63_A      K    63_A    67.415     2    0.270   0.696    68.254    0.000    0.000
LGA    E    64_A      E    64_A    70.144     0    0.616   0.774    72.418    0.000    0.000
LGA    G    65_A      G    65_A    69.608     0    0.456   0.456    71.052    0.000    0.000
LGA    K    66_A      K    66_A    66.310     3    0.144   0.759    67.045    0.000    0.000
LGA    P    67_A      P    67_A    61.369     0    0.039   0.579    65.065    0.000    0.000
LGA    Y    68_A      Y    68_A    54.465     0    0.550   1.213    56.793    0.000    0.000
LGA    K    69_A      K    69_A    49.498     2    0.185   0.550    51.476    0.000    0.000
LGA    R    70_A      R    70_A    45.710     0    0.305   1.338    47.879    0.000    0.000
LGA    K    71_A      K    71_A    41.402     0    0.102   0.750    43.309    0.000    0.000
LGA    K    72_A      K    72_A    35.740     0    0.417   0.694    41.472    0.000    0.000
LGA    G    73_A      G    73_A    33.364     0    0.113   0.113    34.761    0.000    0.000
LGA    F    74_A      F    74_A    28.814     0    0.023   1.291    31.060    0.000    0.000
LGA    M    75_A      M    75_A    26.640     0    0.055   0.234    29.860    0.000    0.000
LGA    K    76_A      K    76_A    24.880     0    0.055   0.870    31.195    0.000    0.000
LGA    L    77_A      L    77_A    21.425     0    0.072   1.409    24.003    0.000    0.000
LGA    F    78_A      F    78_A    17.907     0    0.214   1.336    19.706    0.000    0.000
LGA    D    79_A      D    79_A    16.199     0    0.204   0.322    22.089    0.000    0.000
LGA    L    80_A      L    80_A    11.640     0    0.131   1.095    13.564    1.905    0.952
LGA    F    81_A      F    81_A     9.371     0    0.109   1.143    12.548    1.905    0.693

# 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):    14.795         14.817                 14.990           27.202   21.832

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     30    2.16    33.228    30.151     1.328

LGA_LOCAL      RMSD:   2.159  Number of atoms:   30  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  32.237  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:  14.795  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.242465 * X  +  -0.960411 * Y  +  -0.137194 * Z  +  -3.639270
  Y_new =  -0.443798 * X  +   0.015949 * Y  +  -0.895985 * Z  +   4.746941
  Z_new =   0.862702 * X  +   0.278132 * Y  +  -0.422361 * Z  +  11.248574 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.070766 -1.040588  2.559254   [DEG:  -61.3504  -59.6213  146.6344 ]
ZXZ: -0.151940  2.006845  1.258922   [DEG:   -8.7055  114.9837   72.1309 ]
 
# END of job
