
#######################################################
#                                                     #
#                        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  222 ( 1696),  selected  222 , name one
# Molecule2: number of CA atoms  222 ( 1696),  selected  222 , 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:   142      61_A - 202_A       4.95    47.59
  LONGEST_CONTINUOUS_SEGMENT:   142      62_A - 203_A       4.82    47.80
  LONGEST_CONTINUOUS_SEGMENT:   142      63_A - 204_A       4.77    48.02
  LONGEST_CONTINUOUS_SEGMENT:   142      64_A - 205_A       4.97    48.11
  LCS_AVERAGE:     44.72

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   130      71_A - 200_A       1.91    51.41
  LONGEST_CONTINUOUS_SEGMENT:   130      72_A - 201_A       1.94    51.50
  LONGEST_CONTINUOUS_SEGMENT:   130      73_A - 202_A       1.93    51.53
  LCS_AVERAGE:     35.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      74_A - 200_A       0.97    52.08
  LCS_AVERAGE:     33.38

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  222
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     G     1_A     G     1_A      3    3   12      0    3    3    4    4    5    6    7    8    9   10   12   13   15   17   19   20   21   23   24 
LCS_GDT     P     2_A     P     2_A      4    5   12      3    4    4    4    4    5    6    7    8    9   10   12   13   15   17   19   20   21   23   24 
LCS_GDT     H     3_A     H     3_A      4    5   12      3    4    4    4    4    5    6    7    8    9   10   11   11   15   17   19   20   21   22   24 
LCS_GDT     M     4_A     M     4_A      4    5   12      3    4    4    4    4    5    6    7    8    9   10   12   13   15   17   19   20   21   23   24 
LCS_GDT     E     5_A     E     5_A      4    5   12      0    4    4    4    4    5    6    7    8    9   10   12   13   15   17   19   20   21   23   24 
LCS_GDT     Q     6_A     Q     6_A      3    5   12      3    3    3    4    4    5    6    7    8    9   10   12   13   15   17   19   20   21   23   24 
LCS_GDT     L     7_A     L     7_A      3    4   12      3    3    3    3    3    4    5    7    8    9   10   12   13   15   17   19   20   21   23   24 
LCS_GDT     E     8_A     E     8_A      3    4   13      3    3    3    3    4    4    5    6    8    9   10   11   13   15   17   19   20   21   23   24 
LCS_GDT     G     9_A     G     9_A      3    4   13      0    3    3    3    4    4    5    6    8    9   10   12   13   15   17   19   20   21   23   24 
LCS_GDT     I    10_A     I    10_A      3    4   13      0    3    3    3    4    4    5    6    7    8   10   11   13   15   17   19   20   21   23   24 
LCS_GDT     M    11_A     M    11_A      3    5   13      3    3    3    3    4    5    5    6    7    9   10   11   13   14   16   18   20   21   23   24 
LCS_GDT     L    12_A     L    12_A      5    5   13      4    4    4    5    5    6    6    8    8    9   10   11   13   14   16   19   20   21   23   24 
LCS_GDT     S    13_A     S    13_A      5    5   13      4    4    4    5    5    6    6    8    8    9   10   11   13   14   16   18   20   21   23   24 
LCS_GDT     P    14_A     P    14_A      5    5   13      4    4    4    5    5    6    6    8    8    9   10   11   13   14   16   18   20   21   23   24 
LCS_GDT     A    15_A     A    15_A      5    5   13      4    4    4    5    5    6    6    8    8    9   10   11   13   14   16   18   19   21   22   23 
LCS_GDT     F    16_A     F    16_A      5    5   13      3    4    4    5    5    6    6    8    8    9   10   11   13   14   16   18   19   20   22   23 
LCS_GDT     Q    17_A     Q    17_A      3    5   13      3    3    3    3    4    5    6    6    7    9   10   10   11   13   14   16   19   20   22   23 
LCS_GDT     E    18_A     E    18_A      3    4   13      3    3    3    3    4    6    6    8    8    9   10   11   13   14   16   18   20   21   23   24 
LCS_GDT     Q    19_A     Q    19_A      3    4   13      3    3    3    3    4    5    6    8    8    9   10   11   13   14   16   18   20   21   22   23 
LCS_GDT     M    20_A     M    20_A      3    4   13      0    3    3    3    4    5    5    8    8    9   10   11   13   14   16   18   20   21   23   24 
LCS_GDT     N    21_A     N    21_A      3    3   13      3    3    3    3    3    4    5    7    7    9   10   11   13   15   17   19   20   21   23   24 
LCS_GDT     A    22_A     A    22_A      3    4   12      3    3    3    3    3    5    6    7    7    8    9   11   13   14   16   18   20   21   23   24 
LCS_GDT     L    23_A     L    23_A      3    4   12      3    3    3    3    4    5    5    7    7    8    9   11   13   15   17   19   20   21   23   24 
LCS_GDT     M    24_A     M    24_A      3    4   11      3    3    3    3    4    5    6    7    7    8   10   12   13   15   17   19   19   21   23   24 
LCS_GDT     L    25_A     L    25_A      4    4   11      3    4    4    4    4    5    6    7    8    9   10   12   13   15   17   19   19   21   23   24 
LCS_GDT     D    26_A     D    26_A      4    4   11      3    4    4    4    5    5    6    7    8    9   10   12   13   15   17   19   19   21   23   24 
LCS_GDT     P    27_A     P    27_A      4    4   11      3    4    4    4    5    5    6    7    8    9   10   12   13   15   17   19   19   21   23   24 
LCS_GDT     R    28_A     R    28_A      4    4   11      3    4    4    4    5    5    6    6    8    9   10   12   13   15   17   19   19   21   23   24 
LCS_GDT     M    29_A     M    29_A      3    4   11      3    3    3    3    5    5    6    6    8    9   10   11   11   12   13   19   19   20   22   22 
LCS_GDT     L    30_A     L    30_A      3    3   11      3    3    3    3    5    5    6    6    8    9   10   11   11   12   13   14   15   15   17   23 
LCS_GDT     D    31_A     D    31_A      3    3   11      3    3    3    3    4    4    5    6    7    9   10   11   11   12   13   14   15   15   20   23 
LCS_GDT     M    32_A     M    32_A      3    3   11      3    3    3    3    4    4    5    6    8    9   10   11   11   12   13   14   16   20   22   24 
LCS_GDT     M    33_A     M    33_A      3    3   11      3    3    3    3    3    4    5    6    8    9   10   11   11   12   13   14   15   16   18   19 
LCS_GDT     I    34_A     I    34_A      3    3   11      3    3    3    3    3    5    5    6    8    8   10   11   11   12   13   14   15   16   18   19 
LCS_GDT     D    35_A     D    35_A      3    5   18      1    3    3    4    5    5    5    6    8    8   10   12   13   15   19   20   24   24   26   26 
LCS_GDT     Q    36_A     Q    36_A      4    5   20      3    3    4    4    5    7    8   10   12   13   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     N    37_A     N    37_A      4    5   20      3    3    4    4    5    7    8   10   12   13   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     P    38_A     P    38_A      4    5   20      3    3    4    4    5    7    8   10   12   13   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     Q    39_A     Q    39_A      4    5   20      3    3    4    4    5    5    5    7   12   13   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     L    40_A     L    40_A      3    5   20      3    3    4    5    5    7    8   10   12   14   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     R    41_A     R    41_A      3    5   20      3    3    4    5    5    6    7    8   11   14   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     N    42_A     N    42_A      3    5   20      3    3    4    5    5    6    7    8   11   14   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     M    43_A     M    43_A      5    5   20      3    5    5    5    5    6    7    8   10   13   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     G    44_A     G    44_A      5    5   20      3    5    5    5    5    7    8   10   12   14   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     P    45_A     P    45_A      5    5   20      3    5    5    5    5    6    7    9   10   11   13   17   18   21   23   24   25   26   26   26 
LCS_GDT     E    46_A     E    46_A      5    5   20      3    5    5    5    5    5    6    7    9   10   11   12   16   20   22   24   25   26   26   26 
LCS_GDT     A    47_A     A    47_A      5    5   20      3    5    5    5    5    5    7    9   10   12   13   17   19   21   23   24   25   26   26   26 
LCS_GDT     R    48_A     R    48_A      3    4   20      3    3    3    3    5    7    8   10   12   14   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     Q    49_A     Q    49_A      3    3   20      3    3    3    3    4    6    8   10   12   14   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     M    50_A     M    50_A      3    3   20      3    3    3    3    5    7    8   10   12   14   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     L    51_A     L    51_A      3    4   20      3    3    3    4    4    5    7   10   12   14   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     R    52_A     R    52_A      3    4   20      3    3    3    4    4    5    7   10   12   14   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     P    53_A     P    53_A      3    4   20      3    3    3    4    4    5    7    8   12   14   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     M    54_A     M    54_A      3    4   20      3    3    3    4    4    4    6    6    8   10   13   18   19   21   22   24   25   26   26   26 
LCS_GDT     F    55_A     F    55_A      3    4   20      3    3    4    4    4    5    6    7    9   14   17   18   19   21   23   24   25   26   26   26 
LCS_GDT     R    56_A     R    56_A      3    4   17      3    3    4    4    4    5    6    6    8   11   15   16   19   21   23   24   25   26   26   31 
LCS_GDT     E    57_A     E    57_A      3    4   13      3    3    4    4    4    4    6    6    8   10   17   18   19   21   23   24   26   40   46   57 
LCS_GDT     M    58_A     M    58_A      3    4   13      3    3    4    4    4    5    7    8   11   14   15   17   19   21   23   24   25   26   26   26 
LCS_GDT     M    59_A     M    59_A      3    5   13      3    3    3    3    5    5    6    8    9   14   15   17   19   21   23   24   25   32   36   43 
LCS_GDT     S    60_A     S    60_A      4    6   13      3    4    4    4    5    6    7    9   11   14   15   17   23   24   30   35   43   48   55   59 
LCS_GDT     N    61_A     N    61_A      4    6  142      3    4    4    4    5    6    7    9   11   13   14   16   23   24   30   35   43   52   62   73 
LCS_GDT     P    62_A     P    62_A      4    6  142      3    4    4    4    5    6    7    9   11   13   14   16   20   22   26   29   38   42   55   59 
LCS_GDT     E    63_A     E    63_A      4    6  142      3    4    4    4    5    6    7    7    9   12   12   14   18   22   24   29   38   48   55   59 
LCS_GDT     S    64_A     S    64_A      3    6  142      3    3    3    4    5    6    7    8   11   13   14   18   25   26   36   44   50  100  125  134 
LCS_GDT     M    65_A     M    65_A      3    6  142      3    3    3    3    5    6    7    9   11   15   18   24   31   65   83   94  111  123  131  136 
LCS_GDT     R    66_A     R    66_A      3    4  142      3    3    3    3    5    6    7    9   10   13   14   21   26   36   74  110  128  135  135  136 
LCS_GDT     S    67_A     S    67_A      3    3  142      3    3    3    3    4    6    7    9   12   21   63   89  111  128  132  133  133  135  135  136 
LCS_GDT     M    68_A     M    68_A      3    3  142      0    3    3    3    4    5    7   15   45   67   82   99  116  128  132  133  133  135  135  136 
LCS_GDT     M    69_A     M    69_A      3    4  142      3    3    3    3    4    5    5    7    8   11   15   43   51   85  107  121  130  135  135  136 
LCS_GDT     N    70_A     N    70_A      3    4  142      3    3    3    3    5    9   42   53   61   69   93  112  125  131  132  133  133  135  135  136 
LCS_GDT     M    71_A     M    71_A      3  130  142      3    3    3   19   22   32   42   74   97  120  127  129  129  131  132  133  133  135  135  136 
LCS_GDT     G    72_A     G    72_A      3  130  142      0    3    3    3    3   32   42   53   90  110  127  129  129  131  132  133  133  135  135  136 
LCS_GDT     R    73_A     R    73_A      3  130  142      0    3    3    3    3    9   12   15   31   52   95  124  129  131  132  133  133  135  135  136 
LCS_GDT     A    74_A     A    74_A    127  130  142      0    7   32   76  119  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     W    75_A     W    75_A    127  130  142      3    7  110  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G    76_A     G    76_A    127  130  142     37  115  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     S    77_A     S    77_A    127  130  142     76  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     K    78_A     K    78_A    127  130  142     15  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     K    79_A     K    79_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     I    80_A     I    80_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L    81_A     L    81_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     I    82_A     I    82_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     V    83_A     V    83_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     E    84_A     E    84_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     S    85_A     S    85_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D    86_A     D    86_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     T    87_A     T    87_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A    88_A     A    88_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L    89_A     L    89_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     S    90_A     S    90_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A    91_A     A    91_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     T    92_A     T    92_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L    93_A     L    93_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     R    94_A     R    94_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     S    95_A     S    95_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A    96_A     A    96_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L    97_A     L    97_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     E    98_A     E    98_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G    99_A     G    99_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     R   100_A     R   100_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G   101_A     G   101_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     F   102_A     F   102_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     T   103_A     T   103_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     V   104_A     V   104_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   105_A     D   105_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     E   106_A     E   106_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     T   107_A     T   107_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     T   108_A     T   108_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   109_A     D   109_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G   110_A     G   110_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     K   111_A     K   111_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G   112_A     G   112_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     S   113_A     S   113_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     V   114_A     V   114_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     E   115_A     E   115_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     Q   116_A     Q   116_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     I   117_A     I   117_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     R   118_A     R   118_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     R   119_A     R   119_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   120_A     D   120_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     R   121_A     R   121_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     P   122_A     P   122_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   123_A     D   123_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L   124_A     L   124_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     V   125_A     V   125_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     V   126_A     V   126_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L   127_A     L   127_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A   128_A     A   128_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     V   129_A     V   129_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   130_A     D   130_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L   131_A     L   131_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     S   132_A     S   132_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A   133_A     A   133_A    127  130  142     11   66  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G   134_A     G   134_A    127  130  142     11   67  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     Q   135_A     Q   135_A    127  130  142     24  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     N   136_A     N   136_A    127  130  142      8  110  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G   137_A     G   137_A    127  130  142     16  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     Y   138_A     Y   138_A    127  130  142     98  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L   139_A     L   139_A    127  130  142     94  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     I   140_A     I   140_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     C   141_A     C   141_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G   142_A     G   142_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     K   143_A     K   143_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L   144_A     L   144_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     K   145_A     K   145_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     K   146_A     K   146_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   147_A     D   147_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   148_A     D   148_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   149_A     D   149_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L   150_A     L   150_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     K   151_A     K   151_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     N   152_A     N   152_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     V   153_A     V   153_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     P   154_A     P   154_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     I   155_A     I   155_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     V   156_A     V   156_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     I   157_A     I   157_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     I   158_A     I   158_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G   159_A     G   159_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     N   160_A     N   160_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     P   161_A     P   161_A    127  130  142     95  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   162_A     D   162_A    127  130  142     95  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G   163_A     G   163_A    127  130  142     24  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     F   164_A     F   164_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A   165_A     A   165_A    127  130  142     80  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     Q   166_A     Q   166_A    127  130  142     97  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     H   167_A     H   167_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     R   168_A     R   168_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     K   169_A     K   169_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L   170_A     L   170_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     K   171_A     K   171_A    127  130  142     31  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A   172_A     A   172_A    127  130  142      4  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     H   173_A     H   173_A    127  130  142     62  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A   174_A     A   174_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   175_A     D   175_A    127  130  142     98  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     E   176_A     E   176_A    127  130  142     95  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     Y   177_A     Y   177_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     V   178_A     V   178_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A   179_A     A   179_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     K   180_A     K   180_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     P   181_A     P   181_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     V   182_A     V   182_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   183_A     D   183_A    127  130  142     92  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A   184_A     A   184_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     D   185_A     D   185_A    127  130  142     95  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     Q   186_A     Q   186_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L   187_A     L   187_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     V   188_A     V   188_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     E   189_A     E   189_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     R   190_A     R   190_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A   191_A     A   191_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G   192_A     G   192_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     A   193_A     A   193_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     L   194_A     L   194_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     I   195_A     I   195_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G   196_A     G   196_A    127  130  142      6  114  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     F   197_A     F   197_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     P   198_A     P   198_A    127  130  142    100  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     E   199_A     E   199_A    127  130  142     38  117  124  125  125  126  126  126  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     G   200_A     G   200_A    127  130  142      3   13   26   59   89  112  121  124  126  127  127  129  129  131  132  133  133  135  136  136 
LCS_GDT     N   201_A     N   201_A      3  130  142      3    3   12   19   36   48   67   87  110  119  124  126  128  129  131  131  133  135  136  136 
LCS_GDT     S   202_A     S   202_A      3  130  142      3    3   13   22   38   54   77  102  114  122  124  126  128  129  131  131  133  135  136  136 
LCS_GDT     M   203_A     M   203_A      3    4  142      3    3    4   12   15   22   35   52   72   94  108  116  123  129  131  131  133  135  136  136 
LCS_GDT     M   204_A     M   204_A      3    4  142      0    3    3    3    3    5    8   21   29   35   38   51   57   79   92  107  120  128  133  135 
LCS_GDT     I   205_A     I   205_A      3    3  142      0    3    3    3    3    4    5    9   11   13   17   22   38   45   48   54   79  107  113  128 
LCS_GDT     A   206_A     A   206_A      3    4  141      0    3    4    4    4    4    5   13   19   24   30   44   57   65   82  100  109  121  130  134 
LCS_GDT     L   207_A     L   207_A      3    4  138      0    3    4    4    4    4    5    6    9   12   15   22   26   26   28   54   59   65   69   98 
LCS_GDT     G   208_A     G   208_A      3    4  135      0    3    4    4    4    4    5    6    9   12   17   22   26   26   29   54   59   65   69   75 
LCS_GDT     V   209_A     V   209_A      3    4   10      0    3    4    4    4    4    7   14   24   30   32   39   66   79   89  100  112  123  130  134 
LCS_GDT     A   210_A     A   210_A      3    3   10      3    3    3    3    3    4    5   14   29   35   40   51   66   83   93  107  120  128  132  135 
LCS_GDT     C   211_A     C   211_A      3    3   10      3    3    3    3    4    5    7    8   17   30   33   55   67   83   92  104  116  128  132  134 
LCS_GDT     A   212_A     A   212_A      3    3   10      3    3    3    3    4    9   13   21   29   40   61   73   83   98  105  116  125  129  133  135 
LCS_GDT     I   213_A     I   213_A      3    3   10      3    3    3    4    6   13   31   52   66   83   98  116  124  129  131  131  133  135  136  136 
LCS_GDT     A   214_A     A   214_A      3    3   10      3    3    3    3   23   38   50   67   92  107  117  123  126  129  131  131  133  135  136  136 
LCS_GDT     L   215_A     L   215_A      3    3   10      3    3    3    3    4    5   17   39   51   68   80   96  109  119  127  129  132  135  136  136 
LCS_GDT     A   216_A     A   216_A      3    3   10      3    3    3    3    4    6   11   22   44   73   91  105  123  129  131  131  133  135  136  136 
LCS_GDT     I   217_A     I   217_A      3    3   10      3    3    3    3    4    6    6   31   55   70   77   92  124  129  131  131  133  135  136  136 
LCS_GDT     A   218_A     A   218_A      3    3   10      1    3    3    3    3    4    5    8   55   70   77   92  100  129  131  131  133  135  136  136 
LCS_GDT     A   219_A     A   219_A      3    3   10      3    3    3    3    3    4    5    8    9   12   20   64   73   77   86  102  120  132  133  135 
LCS_GDT     V   220_A     V   220_A      3    3   10      3    3    3    3    3    4    4    6    8   11   14   21   25   28   34   37   95  110  115  121 
LCS_GDT     Y   221_A     Y   221_A      3    3   10      3    3    3    3    5    7    8    9   13   14   15   15   17   18   20   23   25  110  115  121 
LCS_GDT     F   222_A     F   222_A      3    3   10      3    3    3    3    3    4    4    4   13   14   15   15   17   18   20   23   95  110  115  121 
LCS_AVERAGE  LCS_A:  37.89  (  33.38   35.58   44.72 )

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    100    117    124    125    125    126    126    126    126    127    127    129    129    131    132    133    133    135    136    136 
GDT PERCENT_AT  45.05  52.70  55.86  56.31  56.31  56.76  56.76  56.76  56.76  57.21  57.21  58.11  58.11  59.01  59.46  59.91  59.91  60.81  61.26  61.26
GDT RMS_LOCAL    0.28   0.38   0.54   0.59   0.59   0.74   0.74   0.74   0.74   0.97   0.97   1.69   1.69   2.19   2.50   2.75   2.75   3.31   3.67   3.67
GDT RMS_ALL_AT  52.38  52.40  52.31  52.33  52.33  52.29  52.29  52.29  52.29  52.08  52.08  51.53  51.53  51.13  50.71  50.34  50.34  49.71  49.80  49.80

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     8_A      E     8_A
#   possible swapping detected:  D    26_A      D    26_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  F   102_A      F   102_A
#   possible swapping detected:  D   105_A      D   105_A
#   possible swapping detected:  D   109_A      D   109_A
#   possible swapping detected:  E   115_A      E   115_A
#   possible swapping detected:  D   148_A      D   148_A
#   possible swapping detected:  D   149_A      D   149_A
#   possible swapping detected:  D   162_A      D   162_A
#   possible swapping detected:  E   176_A      E   176_A
#   possible swapping detected:  D   183_A      D   183_A
#   possible swapping detected:  D   185_A      D   185_A
#   possible swapping detected:  E   199_A      E   199_A
#   possible swapping detected:  Y   221_A      Y   221_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A   122.248     0    0.328   0.328   122.248    0.000    0.000
LGA    P     2_A      P     2_A   122.899     0    0.609   0.549   123.592    0.000    0.000
LGA    H     3_A      H     3_A   121.638     0    0.153   0.999   125.072    0.000    0.000
LGA    M     4_A      M     4_A   122.185     0    0.707   0.895   125.312    0.000    0.000
LGA    E     5_A      E     5_A   120.239     0    0.605   1.287   121.418    0.000    0.000
LGA    Q     6_A      Q     6_A   121.382     0    0.626   1.323   122.374    0.000    0.000
LGA    L     7_A      L     7_A   121.770     0    0.642   0.751   126.841    0.000    0.000
LGA    E     8_A      E     8_A   115.332     0    0.588   1.166   117.585    0.000    0.000
LGA    G     9_A      G     9_A   115.348     0    0.563   0.563   116.417    0.000    0.000
LGA    I    10_A      I    10_A   118.124     0    0.579   0.818   119.565    0.000    0.000
LGA    M    11_A      M    11_A   118.381     0    0.657   1.111   118.381    0.000    0.000
LGA    L    12_A      L    12_A   116.317     0    0.669   0.827   118.686    0.000    0.000
LGA    S    13_A      S    13_A   119.366     0    0.035   0.695   120.736    0.000    0.000
LGA    P    14_A      P    14_A   123.651     0    0.068   0.295   125.163    0.000    0.000
LGA    A    15_A      A    15_A   124.697     0    0.643   0.619   124.697    0.000    0.000
LGA    F    16_A      F    16_A   121.498     0    0.586   0.559   122.807    0.000    0.000
LGA    Q    17_A      Q    17_A   118.926     0    0.640   1.114   120.393    0.000    0.000
LGA    E    18_A      E    18_A   123.091     0    0.622   1.037   127.585    0.000    0.000
LGA    Q    19_A      Q    19_A   122.697     0    0.637   1.205   124.651    0.000    0.000
LGA    M    20_A      M    20_A   120.857     0    0.637   1.282   124.608    0.000    0.000
LGA    N    21_A      N    21_A   118.509     0    0.609   0.669   121.983    0.000    0.000
LGA    A    22_A      A    22_A   122.907     0    0.628   0.611   123.310    0.000    0.000
LGA    L    23_A      L    23_A   123.176     0    0.595   1.443   125.359    0.000    0.000
LGA    M    24_A      M    24_A   119.515     0    0.610   0.783   120.277    0.000    0.000
LGA    L    25_A      L    25_A   119.032     0    0.616   1.107   123.198    0.000    0.000
LGA    D    26_A      D    26_A   119.749     0    0.127   0.593   121.731    0.000    0.000
LGA    P    27_A      P    27_A   115.987     0    0.735   0.594   118.754    0.000    0.000
LGA    R    28_A      R    28_A   117.434     0    0.602   1.191   124.559    0.000    0.000
LGA    M    29_A      M    29_A   114.323     0    0.579   0.975   118.493    0.000    0.000
LGA    L    30_A      L    30_A   108.132     0    0.651   1.293   110.114    0.000    0.000
LGA    D    31_A      D    31_A   105.391     0    0.619   1.430   106.518    0.000    0.000
LGA    M    32_A      M    32_A   106.105     0    0.610   1.052   107.334    0.000    0.000
LGA    M    33_A      M    33_A   101.059     0    0.631   0.517   102.896    0.000    0.000
LGA    I    34_A      I    34_A    95.218     0    0.598   1.627    97.082    0.000    0.000
LGA    D    35_A      D    35_A    95.239     0    0.707   1.264    96.029    0.000    0.000
LGA    Q    36_A      Q    36_A    93.316     0    0.667   1.119    93.904    0.000    0.000
LGA    N    37_A      N    37_A    87.216     0    0.151   1.068    89.002    0.000    0.000
LGA    P    38_A      P    38_A    87.042     0    0.652   0.599    89.930    0.000    0.000
LGA    Q    39_A      Q    39_A    80.454     0    0.694   1.035    83.144    0.000    0.000
LGA    L    40_A      L    40_A    76.765     0    0.716   0.661    78.176    0.000    0.000
LGA    R    41_A      R    41_A    78.971     0    0.681   1.260    87.050    0.000    0.000
LGA    N    42_A      N    42_A    73.948     0    0.741   1.293    75.875    0.000    0.000
LGA    M    43_A      M    43_A    69.921     0    0.065   0.633    70.996    0.000    0.000
LGA    G    44_A      G    44_A    71.017     0    0.054   0.054    72.483    0.000    0.000
LGA    P    45_A      P    45_A    74.664     0    0.044   0.067    75.674    0.000    0.000
LGA    E    46_A      E    46_A    70.345     0    0.618   1.291    71.515    0.000    0.000
LGA    A    47_A      A    47_A    67.619     0    0.647   0.615    69.112    0.000    0.000
LGA    R    48_A      R    48_A    67.779     0    0.620   1.228    73.290    0.000    0.000
LGA    Q    49_A      Q    49_A    64.448     0    0.703   1.611    66.044    0.000    0.000
LGA    M    50_A      M    50_A    58.176     0    0.657   1.204    60.168    0.000    0.000
LGA    L    51_A      L    51_A    59.382     0    0.584   0.929    65.293    0.000    0.000
LGA    R    52_A      R    52_A    56.651     0    0.605   1.525    58.052    0.000    0.000
LGA    P    53_A      P    53_A    52.391     0    0.648   0.599    53.504    0.000    0.000
LGA    M    54_A      M    54_A    52.419     0    0.624   1.084    54.268    0.000    0.000
LGA    F    55_A      F    55_A    51.955     0    0.612   0.771    52.481    0.000    0.000
LGA    R    56_A      R    56_A    50.459     0    0.443   1.359    58.960    0.000    0.000
LGA    E    57_A      E    57_A    43.279     0    0.627   1.233    46.006    0.000    0.000
LGA    M    58_A      M    58_A    41.839     0    0.621   1.034    46.316    0.000    0.000
LGA    M    59_A      M    59_A    41.123     0    0.679   1.162    43.130    0.000    0.000
LGA    S    60_A      S    60_A    35.396     0    0.648   0.580    37.317    0.000    0.000
LGA    N    61_A      N    61_A    29.508     0    0.070   1.349    31.515    0.000    0.000
LGA    P    62_A      P    62_A    29.540     0    0.534   0.498    32.215    0.000    0.000
LGA    E    63_A      E    63_A    22.915     0    0.655   1.089    25.144    0.000    0.000
LGA    S    64_A      S    64_A    23.504     0    0.579   0.603    25.517    0.000    0.000
LGA    M    65_A      M    65_A    22.997     0    0.621   0.603    26.594    0.000    0.000
LGA    R    66_A      R    66_A    19.676     0    0.644   0.896    20.166    0.000    0.000
LGA    S    67_A      S    67_A    16.920     0    0.601   0.967    18.099    0.000    0.000
LGA    M    68_A      M    68_A    16.475     0    0.638   1.030    17.769    0.000    0.000
LGA    M    69_A      M    69_A    19.241     0    0.629   0.551    26.079    0.000    0.000
LGA    N    70_A      N    70_A    14.422     0    0.609   1.420    16.395    0.000    0.000
LGA    M    71_A      M    71_A    11.869     0    0.602   1.008    12.754    0.119    0.060
LGA    G    72_A      G    72_A    11.739     0    0.613   0.613    12.310    0.000    0.000
LGA    R    73_A      R    73_A    11.426     0    0.635   1.420    20.885    1.429    0.519
LGA    A    74_A      A    74_A     4.961     0    0.637   0.608     7.310   27.500   28.286
LGA    W    75_A      W    75_A     2.441     0    0.725   0.454     8.420   67.262   33.435
LGA    G    76_A      G    76_A     1.282     0    0.153   0.153     2.476   84.167   84.167
LGA    S    77_A      S    77_A     0.662     0    0.049   0.504     1.795   85.952   84.524
LGA    K    78_A      K    78_A     0.942     0    0.047   1.046     3.441   95.238   74.233
LGA    K    79_A      K    79_A     0.208     0    0.040   0.818     2.306  100.000   87.037
LGA    I    80_A      I    80_A     0.133     0    0.028   0.611     1.734  100.000   95.417
LGA    L    81_A      L    81_A     0.125     0    0.039   0.969     2.428  100.000   91.012
LGA    I    82_A      I    82_A     0.149     0    0.034   0.156     0.616  100.000   98.810
LGA    V    83_A      V    83_A     0.144     0    0.027   0.074     0.261  100.000  100.000
LGA    E    84_A      E    84_A     0.176     0    0.027   0.219     0.541  100.000   98.942
LGA    S    85_A      S    85_A     0.185     0    0.075   0.591     1.785  100.000   95.476
LGA    D    86_A      D    86_A     0.518     0    0.079   0.696     2.350   97.619   87.440
LGA    T    87_A      T    87_A     0.198     0    0.037   0.159     0.610  100.000   98.639
LGA    A    88_A      A    88_A     0.147     0    0.046   0.044     0.269  100.000  100.000
LGA    L    89_A      L    89_A     0.164     0    0.030   0.958     2.209  100.000   91.190
LGA    S    90_A      S    90_A     0.095     0    0.031   0.066     0.371  100.000  100.000
LGA    A    91_A      A    91_A     0.201     0    0.033   0.037     0.379  100.000  100.000
LGA    T    92_A      T    92_A     0.282     0    0.047   0.143     0.815  100.000   98.639
LGA    L    93_A      L    93_A     0.169     0    0.028   0.061     0.317  100.000  100.000
LGA    R    94_A      R    94_A     0.197     0    0.026   0.742     2.384  100.000   91.645
LGA    S    95_A      S    95_A     0.428     0    0.050   0.089     0.932  100.000   96.825
LGA    A    96_A      A    96_A     0.332     0    0.028   0.048     0.348  100.000  100.000
LGA    L    97_A      L    97_A     0.247     0    0.025   0.151     0.545  100.000   98.810
LGA    E    98_A      E    98_A     0.259     0    0.028   0.312     0.791  100.000   96.825
LGA    G    99_A      G    99_A     0.166     0    0.109   0.109     0.744   97.619   97.619
LGA    R   100_A      R   100_A     0.068     0    0.088   0.968     2.234  100.000   87.706
LGA    G   101_A      G   101_A     0.180     0    0.030   0.030     0.180  100.000  100.000
LGA    F   102_A      F   102_A     0.179     0    0.046   0.243     0.990  100.000   95.671
LGA    T   103_A      T   103_A     0.280     0    0.061   0.070     0.651  100.000   98.639
LGA    V   104_A      V   104_A     0.111     0    0.054   0.080     0.342  100.000  100.000
LGA    D   105_A      D   105_A     0.215     0    0.043   0.863     3.393  100.000   83.988
LGA    E   106_A      E   106_A     0.185     0    0.028   0.593     1.669  100.000   93.810
LGA    T   107_A      T   107_A     0.275     0    0.029   0.061     0.454  100.000  100.000
LGA    T   108_A      T   108_A     0.290     0    0.043   0.925     2.394  100.000   91.088
LGA    D   109_A      D   109_A     0.173     0    0.096   0.790     2.954  100.000   85.655
LGA    G   110_A      G   110_A     0.234     0    0.034   0.034     0.381  100.000  100.000
LGA    K   111_A      K   111_A     0.501     0    0.041   0.816     4.204   97.619   78.624
LGA    G   112_A      G   112_A     0.543     0    0.089   0.089     0.543   97.619   97.619
LGA    S   113_A      S   113_A     0.253     0    0.045   0.589     2.210  100.000   94.127
LGA    V   114_A      V   114_A     0.423     0    0.017   0.073     0.807   97.619   94.558
LGA    E   115_A      E   115_A     0.467     0    0.046   0.663     2.981  100.000   80.741
LGA    Q   116_A      Q   116_A     0.397     0    0.026   0.730     2.257  100.000   92.963
LGA    I   117_A      I   117_A     0.352     0    0.033   0.121     0.572  100.000   98.810
LGA    R   118_A      R   118_A     0.385     0    0.036   0.977     3.145  100.000   88.615
LGA    R   119_A      R   119_A     0.488     0    0.023   0.633     2.750   97.619   87.706
LGA    D   120_A      D   120_A     0.380     0    0.100   0.182     1.016  100.000   94.107
LGA    R   121_A      R   121_A     0.255     0    0.027   0.578     2.088  100.000   91.775
LGA    P   122_A      P   122_A     0.121     0    0.048   0.083     0.369  100.000  100.000
LGA    D   123_A      D   123_A     0.116     0    0.070   0.263     0.919  100.000   98.810
LGA    L   124_A      L   124_A     0.094     0    0.037   0.514     1.314  100.000   96.488
LGA    V   125_A      V   125_A     0.128     0    0.025   0.054     0.211  100.000  100.000
LGA    V   126_A      V   126_A     0.139     0    0.051   0.068     0.258  100.000  100.000
LGA    L   127_A      L   127_A     0.094     0    0.030   0.158     0.481  100.000  100.000
LGA    A   128_A      A   128_A     0.332     0    0.022   0.043     0.440  100.000  100.000
LGA    V   129_A      V   129_A     0.447     0    0.026   0.116     0.849  100.000   95.918
LGA    D   130_A      D   130_A     0.271     0    0.139   1.273     4.205   97.619   82.143
LGA    L   131_A      L   131_A     0.405     0    0.027   0.257     0.694  100.000   96.429
LGA    S   132_A      S   132_A     0.307     0    0.044   0.076     1.349   92.976   90.635
LGA    A   133_A      A   133_A     1.985     0    0.656   0.682     4.868   60.714   61.524
LGA    G   134_A      G   134_A     1.859     0    0.174   0.174     3.116   67.262   67.262
LGA    Q   135_A      Q   135_A     1.201     0    0.132   0.882     4.358   83.690   71.323
LGA    N   136_A      N   136_A     1.263     0    0.080   0.768     2.858   85.952   76.488
LGA    G   137_A      G   137_A     0.874     0    0.037   0.037     1.011   88.214   88.214
LGA    Y   138_A      Y   138_A     0.723     0    0.052   0.213     1.254   90.476   85.952
LGA    L   139_A      L   139_A     0.822     0    0.050   1.037     4.971   90.476   73.869
LGA    I   140_A      I   140_A     0.712     0    0.034   0.127     1.128   90.476   89.345
LGA    C   141_A      C   141_A     0.630     0    0.052   0.054     0.702   90.476   90.476
LGA    G   142_A      G   142_A     0.635     0    0.050   0.050     0.709   90.476   90.476
LGA    K   143_A      K   143_A     0.720     0    0.039   0.962     4.226   90.476   78.307
LGA    L   144_A      L   144_A     0.434     0    0.031   0.997     3.964   95.238   82.738
LGA    K   145_A      K   145_A     0.483     0    0.083   0.479     1.431   92.976   88.571
LGA    K   146_A      K   146_A     0.739     0    0.136   0.497     3.281   88.214   74.550
LGA    D   147_A      D   147_A     0.713     0    0.023   0.188     0.980   90.476   90.476
LGA    D   148_A      D   148_A     0.651     0    0.074   0.540     2.134   92.857   85.060
LGA    D   149_A      D   149_A     0.639     0    0.018   0.459     1.904   92.857   89.464
LGA    L   150_A      L   150_A     0.391     0    0.087   1.133     2.480   95.238   87.619
LGA    K   151_A      K   151_A     0.485     0    0.073   0.453     2.892   95.238   85.026
LGA    N   152_A      N   152_A     0.528     0    0.148   0.225     1.424   92.857   88.274
LGA    V   153_A      V   153_A     0.454     0    0.044   0.996     3.001  100.000   87.619
LGA    P   154_A      P   154_A     0.148     0    0.040   0.101     0.335  100.000  100.000
LGA    I   155_A      I   155_A     0.165     0    0.025   0.372     1.327  100.000   97.679
LGA    V   156_A      V   156_A     0.073     0    0.046   0.079     0.171  100.000  100.000
LGA    I   157_A      I   157_A     0.193     0    0.046   1.228     2.598  100.000   84.881
LGA    I   158_A      I   158_A     0.214     0    0.039   0.093     0.471  100.000  100.000
LGA    G   159_A      G   159_A     0.423     0    0.034   0.034     0.423  100.000  100.000
LGA    N   160_A      N   160_A     0.399     0    0.079   0.860     3.102   95.238   84.464
LGA    P   161_A      P   161_A     0.483     0    0.100   0.102     0.588  100.000   98.639
LGA    D   162_A      D   162_A     0.448     0    0.064   1.308     4.981  100.000   79.524
LGA    G   163_A      G   163_A     0.864     0    0.153   0.153     0.864   92.857   92.857
LGA    F   164_A      F   164_A     0.247     0    0.060   0.341     0.762  100.000   96.537
LGA    A   165_A      A   165_A     0.661     0    0.021   0.036     0.893   90.476   90.476
LGA    Q   166_A      Q   166_A     0.570     0    0.032   0.844     2.300   95.238   84.815
LGA    H   167_A      H   167_A     0.424     0    0.026   0.147     1.321  100.000   90.667
LGA    R   168_A      R   168_A     0.340     0    0.031   0.635     2.098  100.000   86.061
LGA    K   169_A      K   169_A     0.386     0    0.132   1.112     2.585   97.619   85.079
LGA    L   170_A      L   170_A     0.456     0    0.029   0.752     2.100   95.238   89.821
LGA    K   171_A      K   171_A     0.953     0    0.040   0.849     6.632   88.214   62.011
LGA    A   172_A      A   172_A     0.859     0    0.486   0.444     2.437   81.786   80.000
LGA    H   173_A      H   173_A     0.777     0    0.090   0.233     0.823   90.476   90.476
LGA    A   174_A      A   174_A     0.449     0    0.033   0.039     0.591   92.857   94.286
LGA    D   175_A      D   175_A     0.571     0    0.071   0.297     0.929   90.476   90.476
LGA    E   176_A      E   176_A     0.642     0    0.025   0.725     1.801   90.476   86.614
LGA    Y   177_A      Y   177_A     0.379     0    0.024   0.093     0.972  100.000   94.444
LGA    V   178_A      V   178_A     0.338     0    0.062   0.082     0.534  100.000   97.279
LGA    A   179_A      A   179_A     0.388     0    0.022   0.036     0.477  100.000  100.000
LGA    K   180_A      K   180_A     0.345     0    0.071   0.348     1.431   97.619   94.762
LGA    P   181_A      P   181_A     0.439     0    0.073   0.369     1.596   95.238   92.041
LGA    V   182_A      V   182_A     0.541     0    0.036   1.148     2.778   95.238   84.762
LGA    D   183_A      D   183_A     0.782     0    0.069   0.707     3.472   90.476   77.857
LGA    A   184_A      A   184_A     0.452     0    0.058   0.060     0.574   97.619   96.190
LGA    D   185_A      D   185_A     0.713     0    0.039   0.612     1.964   90.476   84.881
LGA    Q   186_A      Q   186_A     0.517     0    0.031   0.963     4.626   95.238   78.624
LGA    L   187_A      L   187_A     0.232     0    0.033   0.084     0.245  100.000  100.000
LGA    V   188_A      V   188_A     0.284     0    0.029   0.172     0.655  100.000   98.639
LGA    E   189_A      E   189_A     0.423     0    0.041   0.976     4.951  100.000   77.725
LGA    R   190_A      R   190_A     0.233     0    0.030   1.044     2.369  100.000   90.173
LGA    A   191_A      A   191_A     0.264     0    0.029   0.037     0.300  100.000  100.000
LGA    G   192_A      G   192_A     0.239     0    0.087   0.087     0.512   97.619   97.619
LGA    A   193_A      A   193_A     0.242     0    0.029   0.042     0.257  100.000  100.000
LGA    L   194_A      L   194_A     0.176     0    0.030   0.217     0.750  100.000   98.810
LGA    I   195_A      I   195_A     0.414     0    0.601   1.296     2.739   86.905   83.214
LGA    G   196_A      G   196_A     1.305     0    0.095   0.095     1.612   86.190   86.190
LGA    F   197_A      F   197_A     0.358     0    0.053   0.207     1.695  100.000   87.446
LGA    P   198_A      P   198_A     0.319     0    0.672   0.612     2.808   86.905   89.796
LGA    E   199_A      E   199_A     1.418     0    0.632   1.151     8.364   60.357   36.296
LGA    G   200_A      G   200_A     7.261     0    0.624   0.624     9.314   11.429   11.429
LGA    N   201_A      N   201_A    11.230     0    0.649   1.295    15.499    0.119    0.060
LGA    S   202_A      S   202_A    11.432     0    0.608   0.555    14.717    0.000    0.873
LGA    M   203_A      M   203_A    16.498     0    0.633   1.329    18.581    0.000    0.000
LGA    M   204_A      M   204_A    22.140     0    0.629   0.835    24.933    0.000    0.000
LGA    I   205_A      I   205_A    25.255     0    0.623   0.870    26.751    0.000    0.000
LGA    A   206_A      A   206_A    24.981     0    0.606   0.600    27.348    0.000    0.000
LGA    L   207_A      L   207_A    30.956     0    0.628   0.529    37.600    0.000    0.000
LGA    G   208_A      G   208_A    32.774     0    0.626   0.626    32.774    0.000    0.000
LGA    V   209_A      V   209_A    27.235     0    0.625   1.458    29.161    0.000    0.000
LGA    A   210_A      A   210_A    25.735     0    0.619   0.608    25.744    0.000    0.000
LGA    C   211_A      C   211_A    26.640     0    0.545   0.525    28.534    0.000    0.000
LGA    A   212_A      A   212_A    25.990     0    0.642   0.617    26.097    0.000    0.000
LGA    I   213_A      I   213_A    20.124     0    0.606   0.718    22.272    0.000    0.000
LGA    A   214_A      A   214_A    19.441     0    0.627   0.613    20.494    0.000    0.000
LGA    L   215_A      L   215_A    23.013     0    0.655   0.756    28.795    0.000    0.000
LGA    A   216_A      A   216_A    19.576     0    0.618   0.589    20.308    0.000    0.000
LGA    I   217_A      I   217_A    18.524     0    0.601   0.887    18.992    0.000    0.000
LGA    A   218_A      A   218_A    19.469     0    0.598   0.595    23.256    0.000    0.000
LGA    A   219_A      A   219_A    25.261     0    0.666   0.633    26.661    0.000    0.000
LGA    V   220_A      V   220_A    25.272     0    0.671   0.763    26.993    0.000    0.000
LGA    Y   221_A      Y   221_A    23.566     0    0.658   0.802    27.526    0.000    0.000
LGA    F   222_A      F   222_A    25.259     0    0.535   1.473    26.825    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      222     888    888  100.00    1696   1696  100.00               222
SUMMARY(RMSD_GDC):    34.794         34.710                 35.310           54.032   50.826

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  222    4.0    126    0.74    56.419    51.410    15.014

LGA_LOCAL      RMSD:   0.739  Number of atoms:  126  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  52.294  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  34.794  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.779602 * X  +   0.021806 * Y  +  -0.625896 * Z  +  17.180420
  Y_new =   0.104575 * X  +   0.980830 * Y  +   0.164428 * Z  +  19.173983
  Z_new =   0.617483 * X  +  -0.193642 * Y  +   0.762376 * Z  +  37.206673 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.133343 -0.665539 -0.248737   [DEG:    7.6400  -38.1325  -14.2516 ]
ZXZ: -1.827700  0.703819  1.874681   [DEG: -104.7195   40.3258  107.4113 ]
 
# END of job
