
#######################################################
#                                                     #
#                        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:   146      63_A - 208_A       4.96    22.32
  LONGEST_CONTINUOUS_SEGMENT:   146      64_A - 209_A       4.88    22.38
  LONGEST_CONTINUOUS_SEGMENT:   146      65_A - 210_A       4.93    22.42
  LONGEST_CONTINUOUS_SEGMENT:   146      66_A - 211_A       4.98    22.41
  LCS_AVERAGE:     48.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   131      73_A - 203_A       1.93    23.32
  LONGEST_CONTINUOUS_SEGMENT:   131      74_A - 204_A       1.98    23.28
  LCS_AVERAGE:     37.88

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      76_A - 180_A       0.98    23.46
  LCS_AVERAGE:     24.69

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   20      3    3    3    3    4    4    9   11   14   15   16   18   20   22   22   24   30   30   31   33 
LCS_GDT     P     2_A     P     2_A      3    3   20      3    3    3    3    4    8   11   12   14   15   16   18   19   20   24   26   30   30   31   33 
LCS_GDT     H     3_A     H     3_A      3    6   20      3    3    3    6    7    8   10   12   14   15   16   18   20   22   24   26   30   30   31   33 
LCS_GDT     M     4_A     M     4_A      5    6   20      4    4    5    6    7    8   11   12   14   15   16   18   20   22   24   26   30   30   34   37 
LCS_GDT     E     5_A     E     5_A      5    6   20      4    4    5    6    7    8   11   12   14   15   16   18   20   22   24   26   30   30   34   37 
LCS_GDT     Q     6_A     Q     6_A      5    6   20      4    4    5    5    7    8   11   12   14   15   16   18   20   22   24   26   30   30   34   37 
LCS_GDT     L     7_A     L     7_A      5    6   21      4    4    5    6    7    8   11   12   14   15   16   18   20   22   25   26   30   30   34   45 
LCS_GDT     E     8_A     E     8_A      5    6   23      3    4    5    5    6    7    9   11   14   15   16   18   20   22   25   27   29   30   34   37 
LCS_GDT     G     9_A     G     9_A      4    6   24      3    3    4    6    7    8   11   12   14   16   19   21   22   24   25   27   29   30   34   37 
LCS_GDT     I    10_A     I    10_A      4    4   24      3    3    4    5    6    8   11   17   17   18   20   21   23   24   25   28   33   36   39   45 
LCS_GDT     M    11_A     M    11_A      3   15   24      3    3    5    6   12   15   17   17   18   19   20   21   23   24   25   27   29   30   34   45 
LCS_GDT     L    12_A     L    12_A      3   15   24      3    3    5    7   12   15   17   17   18   19   20   21   23   24   25   27   29   36   39   45 
LCS_GDT     S    13_A     S    13_A     12   15   24      8   12   12   12   13   15   17   17   18   19   20   21   23   24   25   28   33   36   39   45 
LCS_GDT     P    14_A     P    14_A     12   15   24      8   12   12   12   13   15   17   17   18   19   20   21   23   24   25   28   33   36   39   45 
LCS_GDT     A    15_A     A    15_A     12   15   24      8   12   12   12   13   15   17   17   18   19   20   21   23   24   25   28   33   36   39   45 
LCS_GDT     F    16_A     F    16_A     12   15   24      8   12   12   12   13   15   17   17   18   19   20   21   23   24   25   28   33   36   39   45 
LCS_GDT     Q    17_A     Q    17_A     12   15   24      8   12   12   12   13   15   17   17   18   19   20   21   23   24   25   28   33   36   39   45 
LCS_GDT     E    18_A     E    18_A     12   15   24      8   12   12   12   13   15   17   17   18   19   20   21   23   24   25   28   33   36   39   45 
LCS_GDT     Q    19_A     Q    19_A     12   15   24      8   12   12   12   13   15   17   17   18   19   20   21   23   24   25   28   33   37   39   45 
LCS_GDT     M    20_A     M    20_A     12   15   24      8   12   12   12   13   15   17   17   18   19   20   21   23   24   25   29   33   37   39   45 
LCS_GDT     N    21_A     N    21_A     12   15   24      8   12   12   12   13   15   17   17   18   19   20   21   23   24   25   27   33   37   39   45 
LCS_GDT     A    22_A     A    22_A     12   15   24      8   12   12   12   13   15   17   17   18   19   20   21   23   24   27   30   33   37   39   45 
LCS_GDT     L    23_A     L    23_A     12   15   24      8   12   12   12   13   15   17   17   18   19   20   21   23   24   27   31   33   37   41   45 
LCS_GDT     M    24_A     M    24_A     12   15   24      7   12   12   12   13   15   17   17   18   19   20   21   23   24   27   31   33   37   41   42 
LCS_GDT     L    25_A     L    25_A      3   15   24      3    3    8    9   13   15   17   17   18   19   20   21   23   24   26   29   32   37   38   41 
LCS_GDT     D    26_A     D    26_A      3   14   24      3    3    5    9   11   14   17   17   18   19   20   21   24   26   27   29   32   37   38   41 
LCS_GDT     P    27_A     P    27_A     12   13   24      8    9   12   12   12   14   17   17   18   19   20   21   24   26   26   27   29   32   38   41 
LCS_GDT     R    28_A     R    28_A     12   13   24      8    9   12   12   12   12   13   15   16   19   20   21   23   24   26   28   33   35   38   41 
LCS_GDT     M    29_A     M    29_A     12   13   24      8    9   12   12   12   12   13   15   16   19   22   25   27   29   33   35   38   40   42   47 
LCS_GDT     L    30_A     L    30_A     12   13   24      8    9   12   12   12   12   14   15   18   19   20   24   27   31   33   35   38   43   44   47 
LCS_GDT     D    31_A     D    31_A     12   13   24      8    9   12   12   12   12   14   15   17   18   20   22   24   28   30   35   38   40   44   47 
LCS_GDT     M    32_A     M    32_A     12   13   24      6    9   12   12   12   12   13   15   15   18   21   25   27   31   33   35   38   43   44   47 
LCS_GDT     M    33_A     M    33_A     12   13   24      8    9   12   12   12   12   13   15   18   21   25   27   29   34   35   37   39   47   54   68 
LCS_GDT     I    34_A     I    34_A     12   13   24      8    9   12   12   12   12   13   15   15   20   25   27   29   34   35   37   41   48   57   68 
LCS_GDT     D    35_A     D    35_A     12   13   24      8    9   12   12   12   12   13   15   18   20   25   27   29   34   35   37   39   48   59   69 
LCS_GDT     Q    36_A     Q    36_A     12   13   24      4    9   12   12   12   12   13   15   18   21   23   25   28   34   35   37   39   43   50   65 
LCS_GDT     N    37_A     N    37_A     12   13   24      4    7   12   12   12   12   14   15   18   21   23   27   29   34   35   37   43   52   59   67 
LCS_GDT     P    38_A     P    38_A     12   13   24      3    6   12   12   12   12   14   15   18   21   25   27   29   34   35   37   43   49   57   64 
LCS_GDT     Q    39_A     Q    39_A      7   13   24      3    6    8   10   11   12   14   15   18   21   25   27   29   34   35   37   39   47   53   62 
LCS_GDT     L    40_A     L    40_A      7   10   24      3    6    8   10   11   12   14   15   18   21   25   27   29   34   35   37   39   43   45   53 
LCS_GDT     R    41_A     R    41_A      7   10   24      3    6    8   10   11   12   14   15   18   21   25   27   29   34   35   37   39   43   44   50 
LCS_GDT     N    42_A     N    42_A      7   10   24      3    6    7   10   11   12   14   15   18   21   25   27   29   34   35   37   39   43   44   47 
LCS_GDT     M    43_A     M    43_A      7   10   24      3    6    8   10   11   12   14   15   18   21   23   27   29   34   35   37   39   43   44   47 
LCS_GDT     G    44_A     G    44_A      6   10   28      3    6    8   10   11   12   14   15   18   21   25   27   28   34   35   37   39   43   44   47 
LCS_GDT     P    45_A     P    45_A      8   16   31      2    6    8   12   14   15   16   16   19   21   25   27   29   34   35   37   39   43   44   47 
LCS_GDT     E    46_A     E    46_A      9   16   31      3    7   12   14   15   18   20   21   21   23   25   27   29   34   35   37   39   43   44   47 
LCS_GDT     A    47_A     A    47_A      9   16   31      3    7   10   14   15   16   20   21   21   23   24   26   29   34   35   37   38   42   44   47 
LCS_GDT     R    48_A     R    48_A      9   16   31      4    7   10   14   15   18   20   21   21   23   25   27   29   34   35   37   39   43   44   47 
LCS_GDT     Q    49_A     Q    49_A      9   16   31      4    7   12   14   15   18   20   21   21   23   25   27   29   34   35   37   39   43   44   47 
LCS_GDT     M    50_A     M    50_A     10   16   31      4    9   12   14   15   18   20   21   21   23   25   27   29   34   35   37   39   43   44   47 
LCS_GDT     L    51_A     L    51_A     10   16   31      4    9   12   14   15   18   20   21   21   23   25   27   29   34   35   37   39   43   44   47 
LCS_GDT     R    52_A     R    52_A     10   16   31      4    9   12   14   15   18   20   21   21   23   25   27   29   34   35   37   39   43   44   47 
LCS_GDT     P    53_A     P    53_A     10   16   31      4    9   12   14   15   18   20   21   21   23   24   26   29   34   35   37   39   43   44   47 
LCS_GDT     M    54_A     M    54_A     10   16   31      4    9   12   14   15   18   20   21   21   23   24   26   29   34   35   36   39   43   44   47 
LCS_GDT     F    55_A     F    55_A     10   16   31      4    9   12   14   15   18   20   21   21   23   25   27   29   34   35   37   39   43   44   47 
LCS_GDT     R    56_A     R    56_A     10   16   31      4    9   12   14   15   18   20   21   21   23   24   26   29   33   35   36   37   39   41   46 
LCS_GDT     E    57_A     E    57_A     10   16   31      4    9   12   14   15   18   20   21   21   23   24   26   29   34   35   36   37   39   42   48 
LCS_GDT     M    58_A     M    58_A     10   16   31      4    8   12   14   15   18   20   21   21   23   24   26   29   30   32   36   37   39   45   52 
LCS_GDT     M    59_A     M    59_A     10   16   31      4    9   12   14   15   18   20   21   21   23   24   26   27   30   32   34   36   39   42   45 
LCS_GDT     S    60_A     S    60_A      5   16   31      3    4    7   11   15   18   20   21   21   23   24   26   29   34   35   36   37   39   45   52 
LCS_GDT     N    61_A     N    61_A      3    9  139      3    3    4    7   11   11   14   17   19   22   23   25   29   34   35   36   37   42   48   56 
LCS_GDT     P    62_A     P    62_A      6   10  144      3    5    8    9   11   12   16   18   19   22   25   27   29   34   35   37   39   47   56   68 
LCS_GDT     E    63_A     E    63_A      7   10  146      3    5    8    9   11   12   14   15   18   20   25   27   29   34   41   53   64   76   94  110 
LCS_GDT     S    64_A     S    64_A      7   10  146      5    7    8    9   11   12   14   15   18   20   25   27   29   34   43   55   83  101  120  128 
LCS_GDT     M    65_A     M    65_A      7   10  146      4    7    8    9   11   13   16   18   19   22   25   27   29   34   41   55   73   90  108  121 
LCS_GDT     R    66_A     R    66_A      7   10  146      5    7    8    9   11   13   16   18   19   22   26   37   44   64   89  108  126  130  130  134 
LCS_GDT     S    67_A     S    67_A      7   10  146      5    7    8    9   11   13   16   18   19   28   38   57   75  104  115  126  129  130  132  135 
LCS_GDT     M    68_A     M    68_A      7   10  146      5    7    8    9   11   13   16   18   19   22   26   37   51   75  114  119  127  130  132  135 
LCS_GDT     M    69_A     M    69_A      7   10  146      5    7    8    9   11   13   16   18   19   22   26   37   55  104  114  122  127  130  132  134 
LCS_GDT     N    70_A     N    70_A      7   10  146      4    7    8    9   11   13   16   47   58   84  117  124  128  129  131  132  134  134  134  137 
LCS_GDT     M    71_A     M    71_A      4  127  146      3    4    4    9   11   12   16   24   49   77  100  120  128  128  130  132  132  133  134  135 
LCS_GDT     G    72_A     G    72_A      4  130  146      3    4    4   12   20   25   30   41   50   69  114  126  128  128  130  132  132  133  134  135 
LCS_GDT     R    73_A     R    73_A      4  131  146      3    4    4    5    5   87  119  123  125  128  129  129  130  132  133  133  135  136  136  137 
LCS_GDT     A    74_A     A    74_A      3  131  146      3    4   43   82  109  118  122  123  125  128  129  129  131  132  133  135  135  136  136  137 
LCS_GDT     W    75_A     W    75_A     58  131  146      3   24   57   88  109  116  120  123  125  128  129  129  131  132  133  135  135  136  136  137 
LCS_GDT     G    76_A     G    76_A    105  131  146     22   83  111  116  120  120  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     S    77_A     S    77_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     K    78_A     K    78_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     K    79_A     K    79_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     I    80_A     I    80_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L    81_A     L    81_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     I    82_A     I    82_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     V    83_A     V    83_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     E    84_A     E    84_A    105  131  146     42   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     S    85_A     S    85_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D    86_A     D    86_A    105  131  146     24   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     T    87_A     T    87_A    105  131  146     21   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A    88_A     A    88_A    105  131  146     24   84  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L    89_A     L    89_A    105  131  146     22   70  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     S    90_A     S    90_A    105  131  146     27   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A    91_A     A    91_A    105  131  146     27   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     T    92_A     T    92_A    105  131  146     22   73  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L    93_A     L    93_A    105  131  146     22   72  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     R    94_A     R    94_A    105  131  146     27   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     S    95_A     S    95_A    105  131  146     27   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A    96_A     A    96_A    105  131  146     22   74  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L    97_A     L    97_A    105  131  146     22   84  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     E    98_A     E    98_A    105  131  146     27   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G    99_A     G    99_A    105  131  146     20   77  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     R   100_A     R   100_A    105  131  146     20   74  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G   101_A     G   101_A    105  131  146     22   82  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     F   102_A     F   102_A    105  131  146     22   85  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     T   103_A     T   103_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     V   104_A     V   104_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   105_A     D   105_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     E   106_A     E   106_A    105  131  146     35   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     T   107_A     T   107_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     T   108_A     T   108_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   109_A     D   109_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G   110_A     G   110_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     K   111_A     K   111_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G   112_A     G   112_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     S   113_A     S   113_A    105  131  146     35   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     V   114_A     V   114_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     E   115_A     E   115_A    105  131  146     40   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     Q   116_A     Q   116_A    105  131  146     35   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     I   117_A     I   117_A    105  131  146     35   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     R   118_A     R   118_A    105  131  146     35   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     R   119_A     R   119_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   120_A     D   120_A    105  131  146     10   85  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     R   121_A     R   121_A    105  131  146     10   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     P   122_A     P   122_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   123_A     D   123_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L   124_A     L   124_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     V   125_A     V   125_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     V   126_A     V   126_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L   127_A     L   127_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A   128_A     A   128_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     V   129_A     V   129_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   130_A     D   130_A    105  131  146     35   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L   131_A     L   131_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     S   132_A     S   132_A    105  131  146     12   67  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A   133_A     A   133_A    105  131  146      3    5  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G   134_A     G   134_A    105  131  146      3    3   51  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     Q   135_A     Q   135_A    105  131  146      3    3   16   22   41  104  119  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     N   136_A     N   136_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G   137_A     G   137_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     Y   138_A     Y   138_A    105  131  146     33   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L   139_A     L   139_A    105  131  146     26   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     I   140_A     I   140_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     C   141_A     C   141_A    105  131  146     38   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G   142_A     G   142_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     K   143_A     K   143_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L   144_A     L   144_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     K   145_A     K   145_A    105  131  146     35   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     K   146_A     K   146_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   147_A     D   147_A    105  131  146     24   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   148_A     D   148_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   149_A     D   149_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L   150_A     L   150_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     K   151_A     K   151_A    105  131  146     33   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     N   152_A     N   152_A    105  131  146     33   86  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     V   153_A     V   153_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     P   154_A     P   154_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     I   155_A     I   155_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     V   156_A     V   156_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     I   157_A     I   157_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     I   158_A     I   158_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G   159_A     G   159_A    105  131  146     35   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     N   160_A     N   160_A    105  131  146     34   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     P   161_A     P   161_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   162_A     D   162_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G   163_A     G   163_A    105  131  146     43   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     F   164_A     F   164_A    105  131  146     33   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A   165_A     A   165_A    105  131  146     11   86  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     Q   166_A     Q   166_A    105  131  146     35   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     H   167_A     H   167_A    105  131  146     35   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     R   168_A     R   168_A    105  131  146     38   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     K   169_A     K   169_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L   170_A     L   170_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     K   171_A     K   171_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A   172_A     A   172_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     H   173_A     H   173_A    105  131  146     17   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A   174_A     A   174_A    105  131  146     28   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   175_A     D   175_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     E   176_A     E   176_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     Y   177_A     Y   177_A    105  131  146     38   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     V   178_A     V   178_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A   179_A     A   179_A    105  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     K   180_A     K   180_A    105  131  146      4   24   65  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     P   181_A     P   181_A     46  131  146      3    4   17   40   96  119  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     V   182_A     V   182_A      4  131  146      3    3    4    5   18   41   62   93  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   183_A     D   183_A     16  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A   184_A     A   184_A     16  131  146     11   84  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     D   185_A     D   185_A     16  131  146     12   82  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     Q   186_A     Q   186_A     16  131  146      7   46  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L   187_A     L   187_A     16  131  146     11   86  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     V   188_A     V   188_A     16  131  146     44   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     E   189_A     E   189_A     16  131  146      9   85  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     R   190_A     R   190_A     16  131  146     11   64  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A   191_A     A   191_A     16  131  146     11   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G   192_A     G   192_A     16  131  146     11   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     A   193_A     A   193_A     16  131  146     11   85  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     L   194_A     L   194_A     16  131  146     11   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     I   195_A     I   195_A     16  131  146     21   87  111  116  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G   196_A     G   196_A     16  131  146      6   26   77  112  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     F   197_A     F   197_A     16  131  146      6   26   71  112  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     P   198_A     P   198_A     16  131  146      6   26   77  112  120  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     E   199_A     E   199_A     12  131  146      3   14   42   92  116  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     G   200_A     G   200_A     12  131  146      9    9   32   86  115  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     N   201_A     N   201_A     12  131  146      9    9   27   82  110  121  124  125  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     S   202_A     S   202_A     12  131  146      9    9   15   34   63  100  115  123  126  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     M   203_A     M   203_A     12  131  146      9    9   12   21   39   71   97  116  122  127  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     M   204_A     M   204_A     12  131  146      9    9   13   22   50   71   92  115  122  128  129  130  131  133  133  135  135  136  136  137 
LCS_GDT     I   205_A     I   205_A     12  129  146      9    9   12   16   28   46   68   84  103  120  127  130  131  133  133  135  135  136  136  137 
LCS_GDT     A   206_A     A   206_A     12   19  146      9    9   12   16   23   36   49   68   83  101  118  125  131  133  133  135  135  136  136  137 
LCS_GDT     L   207_A     L   207_A     12   19  146      9    9   12   16   24   37   51   68   83  101  118  125  131  133  133  135  135  136  136  137 
LCS_GDT     G   208_A     G   208_A     12   19  146      9    9   12   16   22   34   46   64   79   90  105  119  127  133  133  135  135  136  136  137 
LCS_GDT     V   209_A     V   209_A      3   12  146      3    3    3    5    7   12   17   25   36   46   56   72   88   98  105  114  123  133  135  136 
LCS_GDT     A   210_A     A   210_A      3    4  146      0    3    4    4    5    5    7   10   13   16   20   24   33   46   53   62   75   88   94  104 
LCS_GDT     C   211_A     C   211_A      3    4  146      0    3    4    4    5    9   14   17   17   17   20   23   24   26   31   38   50   59   72   82 
LCS_GDT     A   212_A     A   212_A      3    4  145      0    3    4   10   13   16   20   21   21   23   24   26   27   30   33   35   37   42   54   71 
LCS_GDT     I   213_A     I   213_A      3    4  141      4    4    4    7   13   18   20   21   21   23   24   26   28   34   35   36   37   39   41   46 
LCS_GDT     A   214_A     A   214_A      3    4   14      4    4    4    7   14   18   20   21   21   23   24   26   28   34   35   36   37   39   41   46 
LCS_GDT     L   215_A     L   215_A      3    4   14      4    4    4    4    7   18   20   21   21   23   24   26   29   34   35   36   37   39   41   46 
LCS_GDT     A   216_A     A   216_A      3    4   14      3    3    4    4    4    5    8   13   19   19   23   26   28   34   35   36   37   39   41   46 
LCS_GDT     I   217_A     I   217_A      3    4   13      3    3    4    4    4    5    6   15   15   19   23   26   29   34   35   36   37   39   41   46 
LCS_GDT     A   218_A     A   218_A      3    5   13      2    3    4    5    6    7   10   15   19   19   23   26   29   34   35   36   37   39   41   46 
LCS_GDT     A   219_A     A   219_A      4    5   13      0    4    4    5    6    7    8    8    9   11   19   23   26   29   30   34   35   37   39   40 
LCS_GDT     V   220_A     V   220_A      4    5   13      2    4    4    5    6    7    8    8    9   11   13   15   18   19   24   30   32   34   35   37 
LCS_GDT     Y   221_A     Y   221_A      4    5   13      1    4    4    4    4    5    6   10   13   17   20   25   26   29   31   34   35   37   37   38 
LCS_GDT     F   222_A     F   222_A      4    5   13      1    4    4    4    9   10   13   15   17   23   24   26   29   32   35   36   37   39   41   41 
LCS_AVERAGE  LCS_A:  37.07  (  24.69   37.88   48.64 )

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     44     87    111    116    120    121    124    125    126    128    129    130    131    133    133    135    135    136    136    137 
GDT PERCENT_AT  19.82  39.19  50.00  52.25  54.05  54.50  55.86  56.31  56.76  57.66  58.11  58.56  59.01  59.91  59.91  60.81  60.81  61.26  61.26  61.71
GDT RMS_LOCAL    0.32   0.62   0.81   0.87   1.02   1.17   1.30   1.37   1.49   1.62   1.67   2.01   2.39   2.59   2.19   2.71   2.59   2.77   2.77   2.90
GDT RMS_ALL_AT  23.19  23.27  23.25  23.26  23.23  23.29  23.30  23.34  23.34  23.31  23.29  23.36  23.39  23.36  23.28  23.27  23.30  23.27  23.27  23.22

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     8_A      E     8_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  D    26_A      D    26_A
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  D   109_A      D   109_A
#   possible swapping detected:  D   120_A      D   120_A
#   possible swapping detected:  D   123_A      D   123_A
#   possible swapping detected:  D   130_A      D   130_A
#   possible swapping detected:  D   147_A      D   147_A
#   possible swapping detected:  D   148_A      D   148_A
#   possible swapping detected:  F   164_A      F   164_A
#   possible swapping detected:  D   175_A      D   175_A
#   possible swapping detected:  D   183_A      D   183_A
#   possible swapping detected:  E   189_A      E   189_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    26.516     0    0.037   0.037    27.612    0.000    0.000
LGA    P     2_A      P     2_A    27.831     0    0.612   0.573    30.863    0.000    0.000
LGA    H     3_A      H     3_A    28.062     0    0.577   1.091    29.206    0.000    0.000
LGA    M     4_A      M     4_A    28.578     0    0.103   1.481    31.364    0.000    0.000
LGA    E     5_A      E     5_A    35.045     0    0.090   1.432    37.239    0.000    0.000
LGA    Q     6_A      Q     6_A    34.968     0    0.207   1.073    35.528    0.000    0.000
LGA    L     7_A      L     7_A    32.496     0    0.088   0.161    36.045    0.000    0.000
LGA    E     8_A      E     8_A    39.506     0    0.375   0.999    44.128    0.000    0.000
LGA    G     9_A      G     9_A    39.896     0    0.564   0.564    40.276    0.000    0.000
LGA    I    10_A      I    10_A    35.664     0    0.039   0.649    38.114    0.000    0.000
LGA    M    11_A      M    11_A    40.660     0    0.489   1.421    44.887    0.000    0.000
LGA    L    12_A      L    12_A    43.332     0    0.679   0.544    46.440    0.000    0.000
LGA    S    13_A      S    13_A    39.702     0    0.629   0.593    41.075    0.000    0.000
LGA    P    14_A      P    14_A    43.087     0    0.079   0.397    45.785    0.000    0.000
LGA    A    15_A      A    15_A    41.060     0    0.053   0.052    41.651    0.000    0.000
LGA    F    16_A      F    16_A    37.056     0    0.069   1.430    38.592    0.000    0.000
LGA    Q    17_A      Q    17_A    39.149     0    0.077   1.086    43.309    0.000    0.000
LGA    E    18_A      E    18_A    41.066     0    0.042   0.277    46.429    0.000    0.000
LGA    Q    19_A      Q    19_A    38.083     0    0.039   0.961    39.047    0.000    0.000
LGA    M    20_A      M    20_A    35.831     0    0.097   0.225    36.760    0.000    0.000
LGA    N    21_A      N    21_A    38.707     0    0.071   0.167    41.527    0.000    0.000
LGA    A    22_A      A    22_A    38.971     0    0.004   0.018    39.518    0.000    0.000
LGA    L    23_A      L    23_A    35.017     0    0.076   0.329    36.472    0.000    0.000
LGA    M    24_A      M    24_A    34.676     0    0.637   1.251    37.236    0.000    0.000
LGA    L    25_A      L    25_A    33.495     0    0.319   1.433    35.079    0.000    0.000
LGA    D    26_A      D    26_A    30.908     0    0.266   1.223    33.566    0.000    0.000
LGA    P    27_A      P    27_A    28.900     0    0.736   0.987    33.295    0.000    0.000
LGA    R    28_A      R    28_A    27.755     0    0.058   1.301    30.931    0.000    0.000
LGA    M    29_A      M    29_A    27.661     0    0.065   0.934    28.149    0.000    0.000
LGA    L    30_A      L    30_A    29.541     0    0.075   0.278    31.561    0.000    0.000
LGA    D    31_A      D    31_A    29.959     0    0.035   0.959    31.826    0.000    0.000
LGA    M    32_A      M    32_A    28.975     0    0.052   0.734    31.069    0.000    0.000
LGA    M    33_A      M    33_A    29.874     0    0.071   1.050    31.990    0.000    0.000
LGA    I    34_A      I    34_A    33.139     0    0.090   0.908    35.006    0.000    0.000
LGA    D    35_A      D    35_A    33.865     0    0.196   1.260    36.225    0.000    0.000
LGA    Q    36_A      Q    36_A    33.371     0    0.130   1.111    35.945    0.000    0.000
LGA    N    37_A      N    37_A    37.526     0    0.053   1.079    39.477    0.000    0.000
LGA    P    38_A      P    38_A    41.659     0    0.542   0.639    44.638    0.000    0.000
LGA    Q    39_A      Q    39_A    42.677     0    0.107   1.001    45.020    0.000    0.000
LGA    L    40_A      L    40_A    42.123     0    0.083   0.268    45.263    0.000    0.000
LGA    R    41_A      R    41_A    46.087     0    0.369   1.470    49.423    0.000    0.000
LGA    N    42_A      N    42_A    51.674     0    0.691   1.230    53.533    0.000    0.000
LGA    M    43_A      M    43_A    51.807     0    0.319   1.539    54.125    0.000    0.000
LGA    G    44_A      G    44_A    57.758     0    0.033   0.033    57.850    0.000    0.000
LGA    P    45_A      P    45_A    60.486     0    0.376   0.660    62.827    0.000    0.000
LGA    E    46_A      E    46_A    58.732     0    0.070   1.142    60.357    0.000    0.000
LGA    A    47_A      A    47_A    54.054     0    0.061   0.066    56.226    0.000    0.000
LGA    R    48_A      R    48_A    51.901     0    0.042   1.268    56.819    0.000    0.000
LGA    Q    49_A      Q    49_A    51.950     0    0.078   1.227    56.051    0.000    0.000
LGA    M    50_A      M    50_A    48.394     0    0.173   1.294    51.182    0.000    0.000
LGA    L    51_A      L    51_A    43.834     0    0.058   1.002    46.021    0.000    0.000
LGA    R    52_A      R    52_A    42.488     0    0.086   1.407    49.883    0.000    0.000
LGA    P    53_A      P    53_A    42.372     0    0.065   0.411    45.837    0.000    0.000
LGA    M    54_A      M    54_A    38.669     0    0.077   1.361    45.190    0.000    0.000
LGA    F    55_A      F    55_A    34.372     0    0.070   0.280    36.323    0.000    0.000
LGA    R    56_A      R    56_A    34.456     0    0.511   1.133    43.295    0.000    0.000
LGA    E    57_A      E    57_A    34.033     0    0.313   0.550    39.201    0.000    0.000
LGA    M    58_A      M    58_A    28.974     0    0.225   0.870    30.966    0.000    0.000
LGA    M    59_A      M    59_A    25.714     0    0.708   1.590    27.501    0.000    0.000
LGA    S    60_A      S    60_A    28.677     0    0.567   0.778    30.712    0.000    0.000
LGA    N    61_A      N    61_A    28.995     0    0.323   1.225    32.910    0.000    0.000
LGA    P    62_A      P    62_A    25.651     0    0.605   0.765    27.464    0.000    0.000
LGA    E    63_A      E    63_A    23.937     0    0.142   1.214    27.272    0.000    0.000
LGA    S    64_A      S    64_A    22.119     0    0.167   0.188    23.682    0.000    0.000
LGA    M    65_A      M    65_A    19.957     0    0.166   0.426    23.306    0.000    0.000
LGA    R    66_A      R    66_A    17.630     0    0.068   1.088    21.294    0.000    0.000
LGA    S    67_A      S    67_A    16.094     0    0.061   0.169    18.279    0.000    0.000
LGA    M    68_A      M    68_A    15.557     0    0.082   1.115    19.434    0.000    0.000
LGA    M    69_A      M    69_A    14.006     0    0.184   0.908    18.213    0.000    0.000
LGA    N    70_A      N    70_A     9.541     0    0.324   1.146    11.708    1.429    0.714
LGA    M    71_A      M    71_A    12.862     0    0.065   0.838    17.734    0.000    0.000
LGA    G    72_A      G    72_A    11.647     0    0.052   0.052    11.647    0.119    0.119
LGA    R    73_A      R    73_A     5.921     0    0.365   0.927     7.101   22.262   22.338
LGA    A    74_A      A    74_A     5.213     0    0.087   0.102     7.273   28.810   25.048
LGA    W    75_A      W    75_A     5.769     0    0.569   0.388    14.861   30.476    9.966
LGA    G    76_A      G    76_A     2.281     0    0.274   0.274     3.606   67.738   67.738
LGA    S    77_A      S    77_A     0.446     0    0.061   0.541     1.220   92.976   90.635
LGA    K    78_A      K    78_A     0.781     0    0.056   0.888     3.148   92.857   78.466
LGA    K    79_A      K    79_A     0.120     0    0.038   0.628     1.596  100.000   93.862
LGA    I    80_A      I    80_A     0.319     0    0.049   0.147     0.863  100.000   96.429
LGA    L    81_A      L    81_A     0.371     0    0.026   0.081     0.788  100.000   96.429
LGA    I    82_A      I    82_A     0.540     0    0.020   0.128     0.701   92.857   91.667
LGA    V    83_A      V    83_A     0.735     0    0.045   0.074     0.985   90.476   90.476
LGA    E    84_A      E    84_A     0.895     0    0.116   0.995     3.501   83.810   73.704
LGA    S    85_A      S    85_A     0.875     0    0.076   0.631     3.255   85.952   80.714
LGA    D    86_A      D    86_A     0.951     0    0.054   0.145     1.269   90.476   85.952
LGA    T    87_A      T    87_A     0.952     0    0.076   0.167     1.249   88.214   86.599
LGA    A    88_A      A    88_A     1.160     0    0.041   0.041     1.369   81.429   81.429
LGA    L    89_A      L    89_A     1.353     0    0.029   0.098     1.544   81.429   80.357
LGA    S    90_A      S    90_A     0.696     0    0.024   0.612     1.927   90.476   87.540
LGA    A    91_A      A    91_A     0.719     0    0.030   0.035     0.935   90.476   90.476
LGA    T    92_A      T    92_A     1.213     0    0.027   0.091     1.704   81.429   80.204
LGA    L    93_A      L    93_A     1.087     0    0.006   1.180     3.826   85.952   77.857
LGA    R    94_A      R    94_A     0.668     0    0.019   0.975     2.709   90.476   86.710
LGA    S    95_A      S    95_A     0.853     0    0.057   0.667     3.482   90.476   82.222
LGA    A    96_A      A    96_A     1.029     0    0.036   0.034     1.159   88.214   86.857
LGA    L    97_A      L    97_A     0.870     0    0.023   0.076     0.959   90.476   90.476
LGA    E    98_A      E    98_A     0.610     0    0.040   0.155     0.959   90.476   91.534
LGA    G    99_A      G    99_A     0.990     0    0.152   0.152     1.382   85.952   85.952
LGA    R   100_A      R   100_A     1.124     0    0.146   1.336     4.978   88.214   67.792
LGA    G   101_A      G   101_A     0.878     0    0.220   0.220     1.096   85.952   85.952
LGA    F   102_A      F   102_A     0.822     0    0.065   0.475     1.555   90.476   87.273
LGA    T   103_A      T   103_A     0.645     0    0.071   0.080     0.908   90.476   90.476
LGA    V   104_A      V   104_A     0.481     0    0.076   0.165     0.796  100.000   98.639
LGA    D   105_A      D   105_A     0.535     0    0.082   0.421     2.189   90.595   85.060
LGA    E   106_A      E   106_A     0.472     0    0.035   0.746     2.569  100.000   86.190
LGA    T   107_A      T   107_A     0.427     0    0.046   0.068     1.048   92.857   90.544
LGA    T   108_A      T   108_A     0.655     0    0.079   0.181     1.072   88.214   91.905
LGA    D   109_A      D   109_A     0.778     0    0.084   0.178     0.926   90.476   90.476
LGA    G   110_A      G   110_A     0.359     0    0.027   0.027     0.651   97.619   97.619
LGA    K   111_A      K   111_A     0.784     0    0.638   0.864     7.426   84.524   57.937
LGA    G   112_A      G   112_A     0.563     0    0.147   0.147     1.524   90.833   90.833
LGA    S   113_A      S   113_A     0.363     0    0.050   0.047     0.508  100.000   98.413
LGA    V   114_A      V   114_A     0.208     0    0.027   0.067     0.480  100.000  100.000
LGA    E   115_A      E   115_A     0.308     0    0.047   1.064     4.908   97.619   73.280
LGA    Q   116_A      Q   116_A     0.502     0    0.018   1.196     4.617   92.857   79.259
LGA    I   117_A      I   117_A     0.542     0    0.017   0.089     0.716   92.857   95.238
LGA    R   118_A      R   118_A     0.657     0    0.022   0.858     3.060   90.476   83.636
LGA    R   119_A      R   119_A     0.942     0    0.132   0.960     2.797   83.810   78.052
LGA    D   120_A      D   120_A     1.111     0    0.192   0.432     2.780   81.548   72.262
LGA    R   121_A      R   121_A     0.930     0    0.088   1.182     3.397   90.476   77.359
LGA    P   122_A      P   122_A     0.296     0    0.054   0.597     2.073   97.619   93.605
LGA    D   123_A      D   123_A     0.319     0    0.138   0.466     1.847   97.619   91.845
LGA    L   124_A      L   124_A     0.177     0    0.077   0.225     1.000  100.000   95.298
LGA    V   125_A      V   125_A     0.215     0    0.042   0.056     0.614  100.000   98.639
LGA    V   126_A      V   126_A     0.428     0    0.055   0.083     0.928  100.000   95.918
LGA    L   127_A      L   127_A     0.381     0    0.166   1.395     3.064   95.357   82.679
LGA    A   128_A      A   128_A     0.530     0    0.076   0.085     0.839   92.857   92.381
LGA    V   129_A      V   129_A     0.581     0    0.162   0.173     1.356   90.476   87.891
LGA    D   130_A      D   130_A     0.463     0    0.062   0.951     3.038   95.238   82.381
LGA    L   131_A      L   131_A     0.558     0    0.065   0.226     1.378   95.238   91.726
LGA    S   132_A      S   132_A     1.477     0    0.622   0.577     3.937   69.762   73.651
LGA    A   133_A      A   133_A     1.387     0    0.168   0.176     1.508   79.286   79.714
LGA    G   134_A      G   134_A     1.871     0    0.718   0.718     4.334   60.000   60.000
LGA    Q   135_A      Q   135_A     4.863     0    0.367   1.286    12.639   51.190   24.021
LGA    N   136_A      N   136_A     0.510     0    0.623   0.609     6.963   84.048   57.381
LGA    G   137_A      G   137_A     0.511     0    0.056   0.056     0.886   90.476   90.476
LGA    Y   138_A      Y   138_A     0.809     0    0.017   1.308     9.258   88.214   52.738
LGA    L   139_A      L   139_A     1.058     0    0.023   0.036     1.374   83.690   82.560
LGA    I   140_A      I   140_A     0.956     0    0.038   0.059     1.227   85.952   88.214
LGA    C   141_A      C   141_A     0.846     0    0.038   0.047     1.131   85.952   87.460
LGA    G   142_A      G   142_A     1.129     0    0.042   0.042     1.332   81.429   81.429
LGA    K   143_A      K   143_A     1.144     0    0.025   0.324     1.786   81.429   80.529
LGA    L   144_A      L   144_A     1.065     0    0.045   0.077     1.366   81.429   85.952
LGA    K   145_A      K   145_A     1.055     0    0.155   0.778     3.626   77.262   70.952
LGA    K   146_A      K   146_A     1.353     0    0.149   0.657     2.201   75.119   75.820
LGA    D   147_A      D   147_A     1.285     0    0.080   0.383     1.882   77.143   80.417
LGA    D   148_A      D   148_A     1.520     0    0.066   0.837     3.119   75.000   71.071
LGA    D   149_A      D   149_A     1.646     0    0.054   0.457     3.235   75.000   70.060
LGA    L   150_A      L   150_A     1.257     0    0.085   1.021     2.624   79.286   78.690
LGA    K   151_A      K   151_A     1.576     0    0.110   0.926     4.524   72.857   60.794
LGA    N   152_A      N   152_A     1.748     0    0.085   0.122     2.480   72.857   68.810
LGA    V   153_A      V   153_A     1.352     0    0.072   0.085     1.788   83.690   81.497
LGA    P   154_A      P   154_A     0.846     0    0.040   0.584     1.981   88.214   86.667
LGA    I   155_A      I   155_A     0.484     0    0.062   0.232     0.625   92.857   94.048
LGA    V   156_A      V   156_A     0.575     0    0.081   0.080     0.824   95.238   93.197
LGA    I   157_A      I   157_A     0.537     0    0.035   0.174     0.821   90.476   90.476
LGA    I   158_A      I   158_A     0.675     0    0.045   1.117     3.304   92.857   84.345
LGA    G   159_A      G   159_A     0.625     0    0.148   0.148     2.889   82.262   82.262
LGA    N   160_A      N   160_A     0.922     0    0.354   0.827     4.674   90.595   67.679
LGA    P   161_A      P   161_A     0.661     0    0.117   0.122     1.120   90.476   86.599
LGA    D   162_A      D   162_A     0.728     0    0.049   1.407     5.220   90.595   74.167
LGA    G   163_A      G   163_A     0.517     0    0.062   0.062     0.786   92.857   92.857
LGA    F   164_A      F   164_A     1.010     0    0.071   0.117     1.381   83.690   83.074
LGA    A   165_A      A   165_A     1.248     0    0.042   0.042     1.375   81.429   81.429
LGA    Q   166_A      Q   166_A     0.971     0    0.017   0.650     3.361   88.214   74.603
LGA    H   167_A      H   167_A     0.987     0    0.045   1.071     4.867   90.476   69.952
LGA    R   168_A      R   168_A     0.828     0    0.049   1.505     7.139   92.857   64.199
LGA    K   169_A      K   169_A     0.623     0    0.151   0.542     2.501   90.476   86.772
LGA    L   170_A      L   170_A     0.471     0    0.079   0.109     1.384   92.976   90.655
LGA    K   171_A      K   171_A     0.979     0    0.070   0.181     2.864   90.476   77.249
LGA    A   172_A      A   172_A     0.540     0    0.182   0.190     0.700   92.857   92.381
LGA    H   173_A      H   173_A     1.058     0    0.043   0.123     1.603   81.429   79.714
LGA    A   174_A      A   174_A     1.012     0    0.107   0.140     1.104   83.690   85.048
LGA    D   175_A      D   175_A     0.603     0    0.098   0.638     2.534   88.214   82.917
LGA    E   176_A      E   176_A     0.867     0    0.022   0.945     4.598   90.476   75.397
LGA    Y   177_A      Y   177_A     0.987     0    0.065   0.113     1.334   88.214   85.198
LGA    V   178_A      V   178_A     0.947     0    0.058   0.056     1.505   90.476   85.374
LGA    A   179_A      A   179_A     0.747     0    0.615   0.611     2.874   82.143   83.810
LGA    K   180_A      K   180_A     2.424     0    0.166   0.365    11.890   54.762   30.899
LGA    P   181_A      P   181_A     4.217     0    0.293   0.383     5.967   43.452   34.694
LGA    V   182_A      V   182_A     5.922     0    0.208   1.063     9.794   29.405   17.483
LGA    D   183_A      D   183_A     1.326     0    0.621   1.101     4.836   75.357   54.107
LGA    A   184_A      A   184_A     1.248     0    0.040   0.039     1.835   88.214   85.143
LGA    D   185_A      D   185_A     1.344     0    0.071   0.377     2.793   83.690   73.274
LGA    Q   186_A      Q   186_A     1.811     0    0.020   1.171     4.877   75.000   60.159
LGA    L   187_A      L   187_A     1.707     0    0.042   1.434     5.492   77.143   65.298
LGA    V   188_A      V   188_A     0.896     0    0.051   0.131     1.082   88.214   89.184
LGA    E   189_A      E   189_A     1.399     0    0.022   0.735     2.815   81.429   69.683
LGA    R   190_A      R   190_A     1.563     0    0.052   1.568    11.721   79.286   41.212
LGA    A   191_A      A   191_A     1.157     0    0.020   0.020     1.223   81.429   81.429
LGA    G   192_A      G   192_A     1.172     0    0.092   0.092     1.328   81.429   81.429
LGA    A   193_A      A   193_A     1.272     0    0.030   0.027     1.385   81.429   81.429
LGA    L   194_A      L   194_A     1.016     0    0.066   0.119     1.223   83.690   82.560
LGA    I   195_A      I   195_A     0.722     0    0.595   1.421     3.423   75.952   76.786
LGA    G   196_A      G   196_A     2.572     0    0.227   0.227     2.572   60.952   60.952
LGA    F   197_A      F   197_A     2.588     0    0.047   1.334     7.660   57.143   38.485
LGA    P   198_A      P   198_A     2.634     0    0.106   0.098     3.710   51.905   53.129
LGA    E   199_A      E   199_A     4.313     0    0.637   1.017     8.225   43.452   28.677
LGA    G   200_A      G   200_A     4.684     0    0.038   0.038     5.335   30.119   30.119
LGA    N   201_A      N   201_A     4.460     0    0.036   1.130     6.417   29.762   30.238
LGA    S   202_A      S   202_A     6.720     0    0.045   0.053     8.932   11.190   13.254
LGA    M   203_A      M   203_A     8.723     0    0.053   0.073    11.295    3.333    2.202
LGA    M   204_A      M   204_A     8.258     0    0.073   1.295     9.984    3.452    6.190
LGA    I   205_A      I   205_A     9.800     0    0.028   0.156    12.089    0.833    2.857
LGA    A   206_A      A   206_A    12.306     0    0.046   0.052    14.064    0.000    0.000
LGA    L   207_A      L   207_A    12.593     0    0.040   1.420    14.064    0.000    0.179
LGA    G   208_A      G   208_A    13.279     0    0.498   0.498    14.751    0.000    0.000
LGA    V   209_A      V   209_A    18.157     0    0.592   0.589    20.329    0.000    0.000
LGA    A   210_A      A   210_A    22.499     0    0.602   0.598    23.766    0.000    0.000
LGA    C   211_A      C   211_A    22.163     0    0.588   0.852    25.760    0.000    0.000
LGA    A   212_A      A   212_A    24.822     0    0.628   0.610    27.127    0.000    0.000
LGA    I   213_A      I   213_A    30.363     0    0.607   0.725    33.399    0.000    0.000
LGA    A   214_A      A   214_A    33.628     0    0.061   0.057    36.920    0.000    0.000
LGA    L   215_A      L   215_A    35.624     0    0.445   1.337    38.503    0.000    0.000
LGA    A   216_A      A   216_A    40.634     0    0.396   0.397    43.344    0.000    0.000
LGA    I   217_A      I   217_A    44.194     0    0.634   1.495    48.039    0.000    0.000
LGA    A   218_A      A   218_A    47.994     0    0.608   0.603    49.124    0.000    0.000
LGA    A   219_A      A   219_A    50.577     0    0.364   0.393    53.922    0.000    0.000
LGA    V   220_A      V   220_A    56.893     0    0.139   0.255    60.494    0.000    0.000
LGA    Y   221_A      Y   221_A    58.374     0    0.705   0.705    64.965    0.000    0.000
LGA    F   222_A      F   222_A    55.730     0    0.060   1.242    58.327    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):    16.749         16.703                 17.221           48.187   44.804

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  222    4.0    125    1.37    52.140    50.001     8.493

LGA_LOCAL      RMSD:   1.372  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.337  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  16.749  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.342891 * X  +  -0.920467 * Y  +  -0.187525 * Z  +  53.425571
  Y_new =   0.451138 * X  +  -0.013740 * Y  +   0.892348 * Z  +   4.933254
  Z_new =  -0.823954 * X  +  -0.390578 * Y  +   0.410547 * Z  +  41.732712 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.920890  0.968354 -0.760477   [DEG:   52.7631   55.4826  -43.5721 ]
ZXZ: -2.934458  1.147743 -2.013452   [DEG: -168.1321   65.7608 -115.3623 ]
 
# END of job
