
#######################################################
#                                                     #
#                        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  207 ( 1714),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1714),  selected  207 , 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:    84      33_A - 116_A       4.89    14.30
  LCS_AVERAGE:     28.01

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      36_A - 110_A       1.99    14.43
  LCS_AVERAGE:     18.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63      36_A - 98_A        0.99    14.90
  LONGEST_CONTINUOUS_SEGMENT:    63      37_A - 99_A        0.89    14.90
  LCS_AVERAGE:     13.46

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
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    4   31      3    3    3    3    3    4    4    5    5    7    7    7   21   27   29   35   39   43   72   77 
LCS_GDT     I     2_A     I     2_A      5    6   32      4    4    5    5    5    6   13   18   21   24   27   28   33   35   38   39   42   46   47   51 
LCS_GDT     D     3_A     D     3_A      5    6   32      4    4    5    5    5    6   13   18   21   24   27   28   33   35   38   39   42   46   49   52 
LCS_GDT     P     4_A     P     4_A      5    6   32      4    4    5    5    6   10   15   18   21   24   27   28   33   35   38   44   75   83   90   95 
LCS_GDT     F     5_A     F     5_A      5    6   32      4    4    5    5    5    8   13   18   21   24   27   32   45   53   61   71   75   84  114  119 
LCS_GDT     T     6_A     T     6_A      5    6   32      3    3    5    8    8   12   15   18   21   28   36   43   48   75   93  102  108  112  117  119 
LCS_GDT     W     7_A     W     7_A      4    9   32      3    4    5    8   12   16   18   19   24   32   46   57   65   72   81  102  107  112  117  121 
LCS_GDT     G     8_A     G     8_A      4    9   34      3    4    5    7   12   16   18   21   24   28   32   47   59   67   74   88   97  106  116  121 
LCS_GDT     F     9_A     F     9_A      4    9   34      3    4   11   13   15   19   21   22   35   41   53   63   66   79   87  100  107  112  118  121 
LCS_GDT     G    10_A     G    10_A      4    9   34      3    4   12   16   20   21   24   26   27   30   33   35   38   53   70   83   98  111  118  121 
LCS_GDT     G    11_A     G    11_A      4   11   34      4    7   13   16   20   21   24   26   27   30   33   35   37   40   43   45   51   54   64   77 
LCS_GDT     S    12_A     S    12_A      4   11   34      4    7   10   12   16   19   24   26   27   30   33   35   37   40   42   45   47   50   57   65 
LCS_GDT     S    13_A     S    13_A      4   19   34      4    4    6    8   12   20   23   26   26   27   29   33   36   38   42   44   51   54   64   70 
LCS_GDT     K    14_A     K    14_A      6   21   34      4    5    6   12   16   18   24   26   27   30   33   35   37   40   42   45   47   50   64   77 
LCS_GDT     E    15_A     E    15_A      6   21   34      3    5    6   15   18   21   24   26   27   30   33   35   37   40   43   45   47   50   54   56 
LCS_GDT     K    16_A     K    16_A     15   21   34      4    6   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   50   57   71 
LCS_GDT     P    17_A     P    17_A     15   21   34      4   10   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   50   54   65 
LCS_GDT     N    18_A     N    18_A     15   21   34      4   13   14   17   19   21   24   26   27   30   33   35   37   40   43   45   47   50   54   56 
LCS_GDT     Y    19_A     Y    19_A     15   21   34      4   13   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   50   54   61 
LCS_GDT     D    20_A     D    20_A     15   21   34      6   13   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   50   54   56 
LCS_GDT     Y    21_A     Y    21_A     15   21   34      6   13   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   50   54   61 
LCS_GDT     S    22_A     S    22_A     15   21   34      6   13   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   50   54   56 
LCS_GDT     A    23_A     A    23_A     15   21   34      6   13   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   50   54   56 
LCS_GDT     D    24_A     D    24_A     15   21   34      6   13   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   55   66   71 
LCS_GDT     K    25_A     K    25_A     15   21   34      6   13   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   50   54   61 
LCS_GDT     K    26_A     K    26_A     15   21   34      6   13   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   50   54   61 
LCS_GDT     L    27_A     L    27_A     15   21   34      6   13   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   55   66   71 
LCS_GDT     I    28_A     I    28_A     15   21   34      6   13   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   53   60   67 
LCS_GDT     E    29_A     E    29_A     15   21   34      6   13   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   50   54   57 
LCS_GDT     I    30_A     I    30_A     15   21   34      6   13   14   17   20   21   24   26   27   30   32   35   37   40   43   45   47   50   54   61 
LCS_GDT     N    31_A     N    31_A     15   21   82      4   10   14   17   20   21   24   26   27   30   33   35   37   40   43   45   47   56   65   75 
LCS_GDT     T    32_A     T    32_A      7   21   83      4    5    9   15   20   21   24   26   27   30   33   35   37   40   43   45   52   62   68   75 
LCS_GDT     R    33_A     R    33_A      7   21   84      4    5   10   15   20   21   24   26   26   33   40   49   54   66   75   81   90   97  108  116 
LCS_GDT     P    34_A     P    34_A      5   21   84      4    8   14   17   20   21   24   26   27   33   42   51   61   67   75   81  102  113  120  127 
LCS_GDT     I    35_A     I    35_A      5   71   84      4    6   12   17   19   21   27   49   66   78   94  103  110  118  122  123  127  131  135  138 
LCS_GDT     S    36_A     S    36_A     63   75   84      4   11   26   52   71   85   96  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     T    37_A     T    37_A     63   75   84     20   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     D    38_A     D    38_A     63   75   84     14   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     N    39_A     N    39_A     63   75   84     17   45   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     A    40_A     A    40_A     63   75   84     19   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K    41_A     K    41_A     63   75   84     17   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Y    42_A     Y    42_A     63   75   84     17   37   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     W    43_A     W    43_A     63   75   84     17   46   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     C    44_A     C    44_A     63   75   84     19   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     F    45_A     F    45_A     63   75   84     17   45   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     D    46_A     D    46_A     63   75   84     17   39   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K    47_A     K    47_A     63   75   84     17   45   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     G    48_A     G    48_A     63   75   84     17   46   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     N    49_A     N    49_A     63   75   84     20   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     D    50_A     D    50_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L    51_A     L    51_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     G    52_A     G    52_A     63   75   84     19   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     C    53_A     C    53_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L    54_A     L    54_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     S    55_A     S    55_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L    56_A     L    56_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     E    57_A     E    57_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K    58_A     K    58_A     63   75   84     20   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L    59_A     L    59_A     63   75   84     20   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     E    60_A     E    60_A     63   75   84     22   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     A    61_A     A    61_A     63   75   84     20   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L    62_A     L    62_A     63   75   84     10   37   62   74   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     E    63_A     E    63_A     63   75   84     10   34   56   71   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     S    64_A     S    64_A     63   75   84     17   37   62   74   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K    65_A     K    65_A     63   75   84     16   37   62   71   82   88   97  101  107  110  112  114  115  119  122  123  127  131  135  138 
LCS_GDT     D    66_A     D    66_A     63   75   84     18   48   65   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L    67_A     L    67_A     63   75   84     10   49   65   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K    68_A     K    68_A     63   75   84     22   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K    69_A     K    69_A     63   75   84     21   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     V    70_A     V    70_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     V    71_A     V    71_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K    72_A     K    72_A     63   75   84     22   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     F    73_A     F    73_A     63   75   84     22   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Y    74_A     Y    74_A     63   75   84     22   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     E    75_A     E    75_A     63   75   84     20   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K    76_A     K    76_A     63   75   84     22   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     T    77_A     T    77_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     I    78_A     I    78_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     P    79_A     P    79_A     63   75   84     25   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     E    80_A     E    80_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Y    81_A     Y    81_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     C    82_A     C    82_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Y    83_A     Y    83_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     D    84_A     D    84_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K    85_A     K    85_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K    86_A     K    86_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     F    87_A     F    87_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     A    88_A     A    88_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     P    89_A     P    89_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     A    90_A     A    90_A     63   75   84     26   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     C    91_A     C    91_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     N    92_A     N    92_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     I    93_A     I    93_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     P    94_A     P    94_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     A    95_A     A    95_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     I    96_A     I    96_A     63   75   84     23   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     D    97_A     D    97_A     63   75   84     22   49   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L    98_A     L    98_A     63   75   84      3   11   62   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     I    99_A     I    99_A     63   75   84      7   36   62   74   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Q   100_A     Q   100_A     52   75   84      7   13   25   64   78   87   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Q   101_A     Q   101_A     14   75   84      7   13   37   56   78   87   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K   102_A     K   102_A     14   75   84      7   32   51   69   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L   103_A     L   103_A     14   75   84     19   48   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     S   104_A     S   104_A     14   75   84      7   14   46   63   78   87   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Y   105_A     Y   105_A     14   75   84      7   13   15   49   65   78   92  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Y   106_A     Y   106_A     14   75   84     17   32   51   67   80   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     V   107_A     V   107_A     14   75   84     11   37   54   70   80   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     R   108_A     R   108_A     14   75   84      5   13   15   51   60   73   86  100  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     N   109_A     N   109_A     14   75   84      7   13   15   19   65   73   81  100  106  107  112  114  115  119  121  123  127  129  135  138 
LCS_GDT     D   110_A     D   110_A     14   75   84      4   28   53   68   79   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     I   111_A     I   111_A      3   65   84      3    3    3   14   49   61   89  101  103  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     D   112_A     D   112_A      4    5   84      3    4    5    5    6    8   23   48   81   88  107  113  115  119  122  123  127  131  135  138 
LCS_GDT     N   113_A     N   113_A      4    5   84      3    4    5    5    7   11   41   56   71   83   94  100  108  116  121  123  127  131  135  138 
LCS_GDT     K   114_A     K   114_A      4    5   84      3    4    5    5    6    8   12   18   54   73   85   96  104  112  117  123  127  131  135  138 
LCS_GDT     T   115_A     T   115_A      4    5   84      3    4    5    5    6    8   12   45   54   60   69   79   88   99  106  111  124  129  134  138 
LCS_GDT     I   116_A     I   116_A      3   18   84      3    3    8   14   20   27   38   45   54   60   67   77   86   94  104  110  117  128  134  136 
LCS_GDT     K   117_A     K   117_A     17   22   83      4   12   17   20   22   26   31   38   43   48   59   66   72   81   85   94  101  107  120  127 
LCS_GDT     T   118_A     T   118_A     17   22   48     11   15   17   20   22   26   31   38   43   48   59   66   74   81   85   94  104  112  120  127 
LCS_GDT     F   119_A     F   119_A     17   22   48     11   15   17   20   22   26   31   36   43   48   55   66   72   81   85   94   99  107  120  127 
LCS_GDT     Y   120_A     Y   120_A     17   22   48     11   15   17   20   22   26   31   36   43   48   57   66   74   81   85   94  101  107  120  127 
LCS_GDT     S   121_A     S   121_A     17   22   48     11   15   17   20   22   26   31   38   43   51   59   66   74   81   90   96  107  116  124  128 
LCS_GDT     D   122_A     D   122_A     17   22   48     11   15   17   20   22   26   31   39   46   52   59   70   75   84  100  104  110  119  127  135 
LCS_GDT     Y   123_A     Y   123_A     17   22   48     11   15   17   20   22   26   31   39   47   52   59   71   78   89  100  105  112  120  128  136 
LCS_GDT     A   124_A     A   124_A     17   22   48     11   15   17   20   22   26   31   43   47   52   68   73   82   94  103  109  119  127  134  138 
LCS_GDT     K   125_A     K   125_A     17   22   48     11   15   17   20   22   27   34   47   55   60   73   86   96  106  113  123  127  130  135  138 
LCS_GDT     A   126_A     A   126_A     17   22   48     11   15   17   20   22   27   35   47   55   62   80   90  102  110  120  123  127  131  135  138 
LCS_GDT     L   127_A     L   127_A     17   22   48     11   15   17   20   22   29   39   49   61   80   89  101  111  119  122  123  127  131  135  138 
LCS_GDT     S   128_A     S   128_A     17   22   48     11   15   17   20   22   34   43   56   70   88   99  106  116  119  122  123  127  131  135  138 
LCS_GDT     E   129_A     E   129_A     17   23   48     11   15   17   27   41   56   68   77   89   97  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     S   130_A     S   130_A     17   24   48      9   15   17   20   46   60   73   92  106  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K   131_A     K   131_A     18   25   48     10   19   44   59   72   87   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     A   132_A     A   132_A     18   25   48     26   42   58   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     D   133_A     D   133_A     18   25   48     26   43   65   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     V   134_A     V   134_A     18   25   48     26   43   62   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K   135_A     K   135_A     18   25   48     26   43   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     M   136_A     M   136_A     18   25   48     26   48   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L   137_A     L   137_A     18   25   48     26   43   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     E   138_A     E   138_A     18   25   48     26   43   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Y   139_A     Y   139_A     18   25   48     26   48   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     G   140_A     G   140_A     18   25   48     26   48   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     C   141_A     C   141_A     18   25   48     26   43   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     N   142_A     N   142_A     18   25   48     26   45   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     E   143_A     E   143_A     18   25   48     26   48   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L   144_A     L   144_A     18   25   48     26   48   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K   145_A     K   145_A     18   25   48     26   45   66   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     S   146_A     S   146_A     18   25   48     22   43   65   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     A   147_A     A   147_A     18   25   48      5   20   57   71   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Y   148_A     Y   148_A     18   25   48      3    6   14   29   53   87   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     I   149_A     I   149_A     12   25   48      3    7   14   31   73   86   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     C   150_A     C   150_A     12   25   48      7   16   43   70   79   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     R   151_A     R   151_A     12   25   48      3   11   37   62   78   87   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     D   152_A     D   152_A     12   25   48      9   11   12   22   38   87   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L   153_A     L   153_A     12   25   48      9   11   12   37   63   81   87  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     R   154_A     R   154_A     12   25   48      9   11   12   13   24   42   68   89  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     D   155_A     D   155_A     12   25   48      9   27   43   58   73   87   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     M   156_A     M   156_A     12   17   48      9   11   41   64   78   87   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Y   157_A     Y   157_A     12   17   48      9   11   12   13   22   31   40   53   76   89   99  106  116  119  122  123  127  131  135  138 
LCS_GDT     K   158_A     K   158_A     12   17   48      9   11   12   13   15   17   21   46   61   86   99  111  116  119  122  123  127  131  135  138 
LCS_GDT     Y   159_A     Y   159_A     12   19   48      9   11   12   20   44   64   75   92  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     L   160_A     L   160_A     17   19   48      9   11   17   18   27   31   42   53   70   85   96  106  113  119  122  123  127  131  135  138 
LCS_GDT     G   161_A     G   161_A     17   19   48     14   16   17   18   19   27   38   47   55   63   77   89   98  105  112  120  125  131  135  138 
LCS_GDT     D   162_A     D   162_A     17   19   48     14   16   17   18   22   29   38   49   55   68   81   90  101  109  115  120  127  131  135  138 
LCS_GDT     K   163_A     K   163_A     17   19   48     14   16   17   18   22   26   34   43   47   60   67   74   79   91   99  109  117  128  134  137 
LCS_GDT     E   164_A     E   164_A     17   19   47     14   16   17   18   19   20   24   32   45   51   59   69   75   84   90  101  112  119  131  136 
LCS_GDT     K   165_A     K   165_A     17   19   47     14   16   17   18   19   20   22   23   31   58   64   74   88   98  106  117  124  131  135  138 
LCS_GDT     T   166_A     T   166_A     17   19   47     14   16   17   18   19   20   32   42   54   60   69   79   91  100  110  118  124  131  135  138 
LCS_GDT     K   167_A     K   167_A     17   19   47     14   16   17   18   19   20   23   29   37   51   59   66   75   81   90  101  107  118  124  135 
LCS_GDT     E   168_A     E   168_A     17   19   38     14   16   17   18   19   20   22   23   24   27   32   52   57   63   71   85   99  111  121  133 
LCS_GDT     Y   169_A     Y   169_A     17   19   38     14   16   17   18   19   20   22   23   24   31   39   52   58   87  100  111  124  129  135  138 
LCS_GDT     N   170_A     N   170_A     17   19   38     14   16   17   18   19   20   22   23   35   43   45   69   77   87   96  109  117  128  134  138 
LCS_GDT     D   171_A     D   171_A     17   19   38     14   16   17   18   19   20   22   23   24   27   30   52   57   63   70   78   84   95  111  126 
LCS_GDT     K   172_A     K   172_A     17   19   38     14   16   17   18   19   20   22   23   24   27   30   43   50   57   68   74   84  103  111  126 
LCS_GDT     M   173_A     M   173_A     17   19   38     14   16   17   18   19   20   22   23   24   31   39   45   57   67   80  106  114  128  134  138 
LCS_GDT     K   174_A     K   174_A     17   19   38     14   16   17   18   19   20   22   23   24   27   30   52   57   63   68   74   83   91  111  126 
LCS_GDT     N   175_A     N   175_A     17   19   38      5   16   17   18   19   20   22   23   24   27   30   36   46   52   61   65   71   88   93  105 
LCS_GDT     G   176_A     G   176_A     17   19   38      5   16   17   18   19   20   22   23   24   27   30   38   46   56   61   66   73   89   99  114 
LCS_GDT     D   177_A     D   177_A      7   19   38      4    6    7    9   12   17   22   23   24   27   30   43   50   57   61   66   79   89   99  114 
LCS_GDT     E   178_A     E   178_A      7    9   38      4    6    7    9   12   15   16   20   24   31   39   45   50   58   69   89  101  119  126  133 
LCS_GDT     K   179_A     K   179_A      7    9   38      4    6    7    9   12   15   16   18   21   25   30   36   46   50   61   65   69   89   99  109 
LCS_GDT     W   180_A     W   180_A      7    9   38      4    6    7    9   12   15   16   18   21   25   30   36   46   51   61   74   84   94  111  124 
LCS_GDT     N   181_A     N   181_A      7    9   38      4    6    7    9   12   16   22   23   24   31   41   54   75   96  107  117  125  131  135  138 
LCS_GDT     S   182_A     S   182_A      7    9   38      3    5    7    9   12   24   26   30   40   48   59   81   98  108  116  120  127  131  135  138 
LCS_GDT     V   183_A     V   183_A      5    9   38      4    5    6    7    9   17   20   34   40   48   60   76   91  102  115  123  127  131  135  138 
LCS_GDT     L   184_A     L   184_A      5    6   38      4    5    6    7    7    9   18   22   30   45   55   59   66   96  102  110  122  127  134  138 
LCS_GDT     Y   185_A     Y   185_A      5    6   38      4    5    6    7    8   12   20   29   36   47   66   93  105  111  116  122  127  131  135  138 
LCS_GDT     D   186_A     D   186_A      5    6   38      4    8   20   45   67   78   94  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     Y   187_A     Y   187_A      4    6   38      4    4    8   16   54   77   93  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     K   188_A     K   188_A      4    5   38      4    4    5   73   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     H   189_A     H   189_A      4    5   38      4    4   45   75   82   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     M   190_A     M   190_A      4    5   36      4    4    4    8    9   10   13   17   50   80   98  113  116  119  122  123  127  131  135  138 
LCS_GDT     R   191_A     R   191_A      4    5   36      4    4    4    5    6    7    8   12   97  106  111  114  116  119  122  123  127  131  135  138 
LCS_GDT     Y   192_A     Y   192_A      4    5   34      4   11   36   68   78   88   97  101  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     I   193_A     I   193_A      4    5   32      3    4    5    7    9   13   86  100  107  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     H   194_A     H   194_A      4    5   25      3    4    6    7    9   13   26   60  101  107  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     G   195_A     G   195_A      4    5   25      3    4    4    5   20   41   76   90  106  110  112  114  116  119  122  123  127  131  135  138 
LCS_GDT     G   196_A     G   196_A      4    5   25      4    4    6    7   11   25   53   74   80  102  110  114  115  119  122  123  127  131  135  138 
LCS_GDT     Y   197_A     Y   197_A      4   11   24      4    4    4    7    7    9   12   16   32   45   50   59   60   64   67  109  113  117  128  130 
LCS_GDT     S   198_A     S   198_A     10   11   24      4   10   10   10   10   10   12   16   16   21   46   59   60   71  105  109  118  126  128  130 
LCS_GDT     S   199_A     S   199_A     10   11   24      4   10   10   10   10   10   11   21   35   40   56   75   90   98  105  109  118  126  128  130 
LCS_GDT     W   200_A     W   200_A     10   11   22      3   10   10   10   10   10   13   21   23   40   44   61   90   98  105  109  118  120  127  128 
LCS_GDT     W   201_A     W   201_A     10   11   22      5   10   10   10   10   13   16   21   23   28   56   61   90   98  105  109  118  126  128  130 
LCS_GDT     L   202_A     L   202_A     10   11   22      5   10   10   10   10   12   14   21   23   28   32   40   44   50   89  104  113  116  121  123 
LCS_GDT     L   203_A     L   203_A     10   11   22      5   10   10   10   10   10   14   18   21   26   32   40   44   50   55   58   62   99  115  115 
LCS_GDT     E   204_A     E   204_A     10   11   22      5   10   10   10   10   10   14   18   23   28   32   40   44   50   55   71   94  113  115  123 
LCS_GDT     K   205_A     K   205_A     10   11   22      5   10   10   10   10   10   14   16   19   26   31   40   44   50   55   58   62   84  108  112 
LCS_GDT     I   206_A     I   206_A     10   11   22      5   10   10   10   10   10   10   11   11   22   24   34   35   37   45   57   62   66   71   82 
LCS_GDT     K   207_A     K   207_A     10   11   22      5   10   10   10   10   10   10   11   13   16   23   27   32   37   41   57   62   66   71   82 
LCS_AVERAGE  LCS_A:  20.00  (  13.46   18.54   28.01 )

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     26     49     66     75     82     88     97    101    107    110    112    114    116    119    122    123    127    131    135    138 
GDT PERCENT_AT  12.56  23.67  31.88  36.23  39.61  42.51  46.86  48.79  51.69  53.14  54.11  55.07  56.04  57.49  58.94  59.42  61.35  63.29  65.22  66.67
GDT RMS_LOCAL    0.31   0.63   0.90   1.07   1.24   1.52   1.80   1.95   2.27   2.40   2.50   2.63   2.94   3.03   3.39   3.44   4.03   4.64   4.92   5.17
GDT RMS_ALL_AT  14.18  14.65  14.66  14.66  14.71  14.55  14.49  14.46  14.37  14.37  14.35  14.33  14.32  14.33  14.32  14.31  14.26  14.18  14.18  14.13

# Checking swapping
#   possible swapping detected:  D     3_A      D     3_A
#   possible swapping detected:  F     5_A      F     5_A
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  Y    21_A      Y    21_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  F    73_A      F    73_A
#   possible swapping detected:  E    75_A      E    75_A
#   possible swapping detected:  Y    81_A      Y    81_A
#   possible swapping detected:  F    87_A      F    87_A
#   possible swapping detected:  Y   106_A      Y   106_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  F   119_A      F   119_A
#   possible swapping detected:  Y   123_A      Y   123_A
#   possible swapping detected:  E   129_A      E   129_A
#   possible swapping detected:  E   138_A      E   138_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  D   155_A      D   155_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  Y   169_A      Y   169_A
#   possible swapping detected:  E   178_A      E   178_A
#   possible swapping detected:  Y   185_A      Y   185_A
#   possible swapping detected:  D   186_A      D   186_A
#   possible swapping detected:  Y   192_A      Y   192_A
#   possible swapping detected:  Y   197_A      Y   197_A
#   possible swapping detected:  E   204_A      E   204_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    34.047     0    0.155   0.155    34.047    0.000    0.000
LGA    I     2_A      I     2_A    34.809     0    0.638   0.639    39.505    0.000    0.000
LGA    D     3_A      D     3_A    29.607     0    0.057   1.141    31.205    0.000    0.000
LGA    P     4_A      P     4_A    27.286     0    0.134   0.173    30.359    0.000    0.000
LGA    F     5_A      F     5_A    20.447     0    0.433   1.358    23.226    0.000    0.000
LGA    T     6_A      T     6_A    20.131     0    0.567   0.437    24.476    0.000    0.000
LGA    W     7_A      W     7_A    20.332     0    0.536   0.580    20.992    0.000    0.000
LGA    G     8_A      G     8_A    21.532     0    0.430   0.430    21.532    0.000    0.000
LGA    F     9_A      F     9_A    17.761     0    0.085   1.275    20.231    0.000    0.303
LGA    G    10_A      G    10_A    19.984     0    0.426   0.426    22.053    0.000    0.000
LGA    G    11_A      G    11_A    25.640     0    0.457   0.457    25.658    0.000    0.000
LGA    S    12_A      S    12_A    26.913     0    0.095   0.674    28.563    0.000    0.000
LGA    S    13_A      S    13_A    24.121     0    0.436   0.641    25.343    0.000    0.000
LGA    K    14_A      K    14_A    25.097     0    0.065   0.733    25.597    0.000    0.000
LGA    E    15_A      E    15_A    26.945     0    0.025   1.131    31.582    0.000    0.000
LGA    K    16_A      K    16_A    26.264     0    0.048   0.721    27.688    0.000    0.000
LGA    P    17_A      P    17_A    26.331     0    0.075   0.100    27.561    0.000    0.000
LGA    N    18_A      N    18_A    30.154     0    0.269   0.671    34.946    0.000    0.000
LGA    Y    19_A      Y    19_A    27.311     0    0.048   1.354    30.375    0.000    0.000
LGA    D    20_A      D    20_A    31.522     0    0.036   1.087    36.186    0.000    0.000
LGA    Y    21_A      Y    21_A    29.539     0    0.013   1.293    31.049    0.000    0.000
LGA    S    22_A      S    22_A    34.707     0    0.038   0.064    37.021    0.000    0.000
LGA    A    23_A      A    23_A    30.522     0    0.039   0.057    31.767    0.000    0.000
LGA    D    24_A      D    24_A    25.558     0    0.035   0.442    27.206    0.000    0.000
LGA    K    25_A      K    25_A    31.393     0    0.022   0.117    42.472    0.000    0.000
LGA    K    26_A      K    26_A    32.967     0    0.041   0.950    41.621    0.000    0.000
LGA    L    27_A      L    27_A    26.305     0    0.023   0.249    28.518    0.000    0.000
LGA    I    28_A      I    28_A    27.071     0    0.097   0.171    29.322    0.000    0.000
LGA    E    29_A      E    29_A    33.375     0    0.052   1.044    39.908    0.000    0.000
LGA    I    30_A      I    30_A    31.025     0    0.115   1.347    32.633    0.000    0.000
LGA    N    31_A      N    31_A    23.914     0    0.312   0.899    26.451    0.000    0.000
LGA    T    32_A      T    32_A    24.825     0    0.064   0.080    29.264    0.000    0.000
LGA    R    33_A      R    33_A    17.632     0    0.102   1.623    20.027    0.000    0.000
LGA    P    34_A      P    34_A    14.044     0    0.021   0.326    15.756    0.000    0.000
LGA    I    35_A      I    35_A     9.988     0    0.038   1.062    13.829    4.405    2.560
LGA    S    36_A      S    36_A     4.135     0    0.132   0.590     6.277   36.905   41.270
LGA    T    37_A      T    37_A     0.541     0    0.262   1.045     3.005   86.071   79.592
LGA    D    38_A      D    38_A     1.362     0    0.013   0.124     1.793   79.405   78.274
LGA    N    39_A      N    39_A     2.030     0    0.018   1.268     5.383   68.810   61.131
LGA    A    40_A      A    40_A     1.359     0    0.033   0.045     1.549   79.286   79.714
LGA    K    41_A      K    41_A     1.537     0    0.062   0.100     1.924   75.000   80.582
LGA    Y    42_A      Y    42_A     2.487     0    0.010   0.096     3.814   62.857   53.770
LGA    W    43_A      W    43_A     2.121     0    0.013   0.150     2.847   68.810   62.653
LGA    C    44_A      C    44_A     1.471     0    0.034   0.049     1.686   75.000   77.143
LGA    F    45_A      F    45_A     2.201     0    0.025   0.060     2.719   62.976   70.087
LGA    D    46_A      D    46_A     2.820     0    0.084   0.577     3.879   57.143   53.631
LGA    K    47_A      K    47_A     2.612     0    0.021   0.287     4.817   60.952   53.651
LGA    G    48_A      G    48_A     2.218     0    0.038   0.038     2.432   68.810   68.810
LGA    N    49_A      N    49_A     1.533     0    0.034   0.347     2.020   77.143   73.988
LGA    D    50_A      D    50_A     0.726     0    0.070   0.261     1.035   88.214   88.214
LGA    L    51_A      L    51_A     1.053     0    0.023   0.081     1.963   83.690   79.345
LGA    G    52_A      G    52_A     1.235     0    0.064   0.064     1.235   85.952   85.952
LGA    C    53_A      C    53_A     0.595     0    0.042   0.072     0.971   92.857   92.063
LGA    L    54_A      L    54_A     0.628     0    0.034   0.113     0.860   90.476   91.667
LGA    S    55_A      S    55_A     0.877     0    0.019   0.020     1.233   90.476   87.460
LGA    L    56_A      L    56_A     0.415     0    0.061   0.060     0.577   95.238   97.619
LGA    E    57_A      E    57_A     0.308     0    0.013   0.668     2.633   97.619   79.894
LGA    K    58_A      K    58_A     0.898     0    0.015   0.713     4.800   88.214   69.735
LGA    L    59_A      L    59_A     0.970     0    0.059   0.110     1.291   85.952   87.083
LGA    E    60_A      E    60_A     0.963     0    0.054   0.157     1.488   85.952   86.455
LGA    A    61_A      A    61_A     1.245     0    0.036   0.037     1.901   79.405   79.810
LGA    L    62_A      L    62_A     2.300     0    0.025   0.062     2.914   62.976   61.964
LGA    E    63_A      E    63_A     2.779     0    0.026   0.220     3.551   57.262   53.280
LGA    S    64_A      S    64_A     2.631     0    0.030   0.029     3.032   57.262   59.762
LGA    K    65_A      K    65_A     3.099     0    0.034   0.748     4.260   53.571   52.751
LGA    D    66_A      D    66_A     2.166     0    0.020   0.061     2.444   68.810   69.821
LGA    L    67_A      L    67_A     1.784     0    0.041   0.065     2.385   77.143   73.988
LGA    K    68_A      K    68_A     0.943     0    0.046   0.688     1.460   88.214   85.450
LGA    K    69_A      K    69_A     0.743     0    0.092   0.132     2.058   90.476   82.646
LGA    V    70_A      V    70_A     0.524     0    0.057   0.063     0.737   95.238   93.197
LGA    V    71_A      V    71_A     0.659     0    0.034   0.086     1.272   95.238   91.905
LGA    K    72_A      K    72_A     0.391     0    0.031   0.654     3.143   97.619   87.143
LGA    F    73_A      F    73_A     0.254     0    0.017   0.072     0.618  100.000   98.268
LGA    Y    74_A      Y    74_A     0.695     0    0.028   0.190     0.945   92.857   91.270
LGA    E    75_A      E    75_A     0.767     0    0.021   0.284     1.771   90.476   84.550
LGA    K    76_A      K    76_A     0.708     0    0.027   0.877     5.718   90.476   66.720
LGA    T    77_A      T    77_A     0.596     0    0.037   0.055     0.657   90.476   90.476
LGA    I    78_A      I    78_A     0.599     0    0.015   0.095     0.755   90.476   90.476
LGA    P    79_A      P    79_A     0.635     0    0.071   0.265     0.909   90.476   91.837
LGA    E    80_A      E    80_A     0.765     0    0.047   0.784     3.774   90.476   71.746
LGA    Y    81_A      Y    81_A     0.684     0    0.024   0.127     1.046   90.476   89.722
LGA    C    82_A      C    82_A     0.565     0    0.032   0.039     0.631   90.476   90.476
LGA    Y    83_A      Y    83_A     0.798     0    0.050   0.110     1.305   90.476   87.460
LGA    D    84_A      D    84_A     1.204     0    0.070   0.209     1.832   81.429   80.357
LGA    K    85_A      K    85_A     0.982     0    0.040   0.632     2.094   88.214   82.646
LGA    K    86_A      K    86_A     0.353     0    0.025   0.577     2.051   97.619   95.026
LGA    F    87_A      F    87_A     0.395     0    0.009   0.085     0.441  100.000  100.000
LGA    A    88_A      A    88_A     0.544     0    0.038   0.057     0.688   97.619   96.190
LGA    P    89_A      P    89_A     0.328     0    0.149   0.148     0.703   97.619   98.639
LGA    A    90_A      A    90_A     0.528     0    0.103   0.107     0.737   92.857   92.381
LGA    C    91_A      C    91_A     0.718     0    0.033   0.062     0.916   90.476   90.476
LGA    N    92_A      N    92_A     1.582     0    0.147   1.241     3.898   79.286   66.548
LGA    I    93_A      I    93_A     0.913     0    0.069   0.091     1.181   85.952   88.214
LGA    P    94_A      P    94_A     1.242     0    0.021   0.028     1.458   81.429   81.429
LGA    A    95_A      A    95_A     1.355     0    0.021   0.038     1.491   81.429   81.429
LGA    I    96_A      I    96_A     1.148     0    0.013   0.243     1.297   81.429   82.560
LGA    D    97_A      D    97_A     1.064     0    0.095   0.440     1.805   77.143   78.214
LGA    L    98_A      L    98_A     2.360     0    0.182   0.391     4.628   64.881   51.964
LGA    I    99_A      I    99_A     3.034     0    0.041   0.199     6.757   63.095   42.500
LGA    Q   100_A      Q   100_A     3.192     0    0.016   0.684     7.420   55.476   36.085
LGA    Q   101_A      Q   101_A     3.404     0    0.111   0.691     8.204   53.810   33.915
LGA    K   102_A      K   102_A     2.593     0    0.052   0.785     6.394   64.881   47.619
LGA    L   103_A      L   103_A     1.015     0    0.048   1.086     6.407   83.690   60.417
LGA    S   104_A      S   104_A     3.809     0    0.064   0.074     5.351   44.167   39.048
LGA    Y   105_A      Y   105_A     4.987     0    0.043   0.216    10.885   32.976   15.913
LGA    Y   106_A      Y   106_A     3.049     0    0.056   0.485     7.615   51.786   36.548
LGA    V   107_A      V   107_A     2.626     0    0.071   0.184     4.080   50.595   52.517
LGA    R   108_A      R   108_A     6.071     0    0.089   1.444     7.500   17.976   20.693
LGA    N   109_A      N   109_A     6.636     0    0.112   1.043    11.212   19.524   11.012
LGA    D   110_A      D   110_A     3.081     0    0.404   1.382     7.262   58.214   42.976
LGA    I   111_A      I   111_A     4.423     0    0.041   0.106     7.945   34.167   26.667
LGA    D   112_A      D   112_A     8.779     0    0.110   1.220    13.137    4.048    2.024
LGA    N   113_A      N   113_A    12.596     0    0.242   0.761    15.967    0.000    0.000
LGA    K   114_A      K   114_A    14.922     0    0.664   0.968    18.082    0.000    0.000
LGA    T   115_A      T   115_A    19.376     0    0.686   1.077    21.851    0.000    0.000
LGA    I   116_A      I   116_A    19.592     0    0.575   1.045    21.882    0.000    0.000
LGA    K   117_A      K   117_A    25.308     0    0.590   1.145    34.553    0.000    0.000
LGA    T   118_A      T   118_A    23.579     0    0.140   0.405    24.589    0.000    0.000
LGA    F   119_A      F   119_A    22.121     0    0.038   0.161    22.936    0.000    0.000
LGA    Y   120_A      Y   120_A    20.610     0    0.053   0.283    22.476    0.000    0.000
LGA    S   121_A      S   121_A    20.121     0    0.033   0.058    21.156    0.000    0.000
LGA    D   122_A      D   122_A    18.820     0    0.025   0.047    21.654    0.000    0.000
LGA    Y   123_A      Y   123_A    16.592     0    0.044   0.302    17.773    0.000    0.000
LGA    A   124_A      A   124_A    15.402     0    0.010   0.015    16.459    0.000    0.000
LGA    K   125_A      K   125_A    14.660     0    0.042   0.777    20.039    0.000    0.000
LGA    A   126_A      A   126_A    13.112     0    0.046   0.059    13.892    0.000    0.000
LGA    L   127_A      L   127_A    10.734     0    0.017   1.349    13.593    0.833    0.417
LGA    S   128_A      S   128_A    10.091     0    0.040   0.047    11.934    1.548    1.032
LGA    E   129_A      E   129_A     8.382     0    0.070   0.186    12.420    9.405    4.339
LGA    S   130_A      S   130_A     6.389     0    0.545   0.760     7.213   17.619   18.651
LGA    K   131_A      K   131_A     3.364     0    0.236   0.324     3.910   53.810   52.540
LGA    A   132_A      A   132_A     1.721     0    0.043   0.040     2.346   72.976   72.952
LGA    D   133_A      D   133_A     1.561     0    0.023   1.184     3.268   77.143   74.286
LGA    V   134_A      V   134_A     1.543     0    0.022   0.049     2.036   77.143   74.150
LGA    K   135_A      K   135_A     1.138     0    0.038   0.985     6.312   85.952   66.190
LGA    M   136_A      M   136_A     0.911     0    0.067   0.238     1.407   90.476   89.345
LGA    L   137_A      L   137_A     1.120     0    0.096   0.403     1.384   81.429   83.690
LGA    E   138_A      E   138_A     1.098     0    0.026   0.106     1.269   85.952   83.439
LGA    Y   139_A      Y   139_A     0.625     0    0.034   0.103     0.756   90.476   91.270
LGA    G   140_A      G   140_A     0.475     0    0.058   0.058     0.606   92.857   92.857
LGA    C   141_A      C   141_A     1.063     0    0.051   0.843     4.145   83.690   75.556
LGA    N   142_A      N   142_A     0.826     0    0.019   0.062     1.196   90.476   89.345
LGA    E   143_A      E   143_A     0.598     0    0.008   0.756     3.289   90.476   73.280
LGA    L   144_A      L   144_A     0.516     0    0.077   0.064     0.858   92.857   96.429
LGA    K   145_A      K   145_A     0.568     0    0.030   0.889     4.134   90.595   78.783
LGA    S   146_A      S   146_A     0.996     0    0.192   0.192     1.262   85.952   84.444
LGA    A   147_A      A   147_A     1.879     0    0.026   0.041     2.776   70.833   68.095
LGA    Y   148_A      Y   148_A     3.140     0    0.185   0.372     7.254   53.690   34.405
LGA    I   149_A      I   149_A     3.627     0    0.124   0.632     5.534   51.905   39.107
LGA    C   150_A      C   150_A     2.549     0    0.028   0.615     5.171   62.976   53.571
LGA    R   151_A      R   151_A     3.352     0    0.023   1.375    15.145   57.500   24.329
LGA    D   152_A      D   152_A     3.274     0    0.020   0.056     8.696   59.167   34.762
LGA    L   153_A      L   153_A     4.681     0    0.011   0.182     9.068   33.571   20.357
LGA    R   154_A      R   154_A     5.784     0    0.028   0.510    11.383   24.524   10.649
LGA    D   155_A      D   155_A     3.818     0    0.049   1.105     8.263   46.786   32.917
LGA    M   156_A      M   156_A     3.449     0    0.073   1.022    11.828   40.595   25.417
LGA    Y   157_A      Y   157_A     8.470     0    0.046   1.105    13.130    6.190    2.103
LGA    K   158_A      K   158_A     9.397     0    0.061   0.234    14.587    2.262    1.164
LGA    Y   159_A      Y   159_A     6.518     0    0.176   0.217    11.528   12.500   11.706
LGA    L   160_A      L   160_A     9.481     0    0.524   0.735    12.672    2.143    1.131
LGA    G   161_A      G   161_A    14.741     0    0.152   0.152    16.841    0.000    0.000
LGA    D   162_A      D   162_A    14.640     0    0.068   0.094    16.100    0.000    0.000
LGA    K   163_A      K   163_A    19.411     0    0.011   0.609    24.410    0.000    0.000
LGA    E   164_A      E   164_A    20.472     0    0.028   1.059    24.763    0.000    0.000
LGA    K   165_A      K   165_A    16.056     0    0.049   0.563    17.301    0.000    0.000
LGA    T   166_A      T   166_A    15.831     0    0.027   0.028    17.541    0.000    0.000
LGA    K   167_A      K   167_A    20.930     0    0.058   1.188    31.163    0.000    0.000
LGA    E   168_A      E   168_A    20.352     0    0.014   0.111    20.352    0.000    0.000
LGA    Y   169_A      Y   169_A    16.287     0    0.057   1.060    17.399    0.000    0.000
LGA    N   170_A      N   170_A    18.163     0    0.041   0.981    19.776    0.000    0.000
LGA    D   171_A      D   171_A    22.776     0    0.032   0.055    26.207    0.000    0.000
LGA    K   172_A      K   172_A    20.785     0    0.057   0.064    21.325    0.000    0.000
LGA    M   173_A      M   173_A    17.544     0    0.064   0.959    19.182    0.000    0.000
LGA    K   174_A      K   174_A    22.513     0    0.155   0.298    24.868    0.000    0.000
LGA    N   175_A      N   175_A    25.757     0    0.169   1.117    29.001    0.000    0.000
LGA    G   176_A      G   176_A    22.624     0    0.578   0.578    23.237    0.000    0.000
LGA    D   177_A      D   177_A    24.253     0    0.019   0.196    28.186    0.000    0.000
LGA    E   178_A      E   178_A    20.838     0    0.079   1.023    22.373    0.000    0.000
LGA    K   179_A      K   179_A    21.946     0    0.059   0.561    26.144    0.000    0.000
LGA    W   180_A      W   180_A    19.412     0    0.137   0.444    24.345    0.000    0.000
LGA    N   181_A      N   181_A    15.889     0    0.524   0.804    17.677    0.000    0.000
LGA    S   182_A      S   182_A    12.914     0    0.605   0.796    16.180    0.000    0.000
LGA    V   183_A      V   183_A    11.979     0    0.140   0.962    15.729    0.000    0.000
LGA    L   184_A      L   184_A    14.181     0    0.103   1.324    19.851    0.000    0.000
LGA    Y   185_A      Y   185_A    10.709     0    0.322   1.216    14.189    3.571    1.190
LGA    D   186_A      D   186_A     4.050     0    0.595   1.397     6.621   37.738   39.107
LGA    Y   187_A      Y   187_A     4.137     0    0.131   1.258     6.742   51.071   34.762
LGA    K   188_A      K   188_A     2.505     0    0.151   0.237     9.940   61.071   35.820
LGA    H   189_A      H   189_A     2.239     0    0.645   0.721     3.460   65.595   60.619
LGA    M   190_A      M   190_A     6.785     0    0.037   0.907    15.581   17.500    8.810
LGA    R   191_A      R   191_A     7.037     0    0.094   1.097    14.866   14.643    5.931
LGA    Y   192_A      Y   192_A     3.198     0    0.632   0.963    12.327   50.119   29.048
LGA    I   193_A      I   193_A     5.095     0    0.061   0.095     7.323   28.929   21.250
LGA    H   194_A      H   194_A     6.143     0    0.136   1.181     7.023   19.286   21.190
LGA    G   195_A      G   195_A     5.136     0    0.164   0.164     6.772   22.976   22.976
LGA    G   196_A      G   196_A     6.714     0    0.597   0.597     8.774   10.119   10.119
LGA    Y   197_A      Y   197_A    13.298     0    0.039   1.226    16.941    0.000    0.000
LGA    S   198_A      S   198_A    12.505     0    0.655   0.837    12.505    0.000    0.000
LGA    S   199_A      S   199_A    12.041     0    0.051   0.574    13.425    0.000    0.000
LGA    W   200_A      W   200_A    12.438     0    0.076   0.526    17.634    0.000    0.000
LGA    W   201_A      W   201_A    12.565     0    0.094   1.497    14.086    0.000    0.000
LGA    L   202_A      L   202_A    15.032     0    0.053   0.233    17.424    0.000    0.000
LGA    L   203_A      L   203_A    17.325     0    0.045   0.075    19.318    0.000    0.000
LGA    E   204_A      E   204_A    17.180     0    0.022   0.968    18.846    0.000    0.000
LGA    K   205_A      K   205_A    19.336     0    0.066   0.939    22.525    0.000    0.000
LGA    I   206_A      I   206_A    23.129     0    0.592   0.668    26.704    0.000    0.000
LGA    K   207_A      K   207_A    25.615     0    0.167   0.996    30.768    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1714   1714  100.00               207
SUMMARY(RMSD_GDC):    12.835         12.773                 13.276           39.079   35.821

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0    101    1.95    42.029    37.989     4.933

LGA_LOCAL      RMSD:   1.947  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.455  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  12.835  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.877478 * X  +  -0.375517 * Y  +  -0.298361 * Z  + -25.245300
  Y_new =  -0.477511 * X  +  -0.742241 * Y  +  -0.470172 * Z  + -12.626087
  Z_new =  -0.044898 * X  +   0.555036 * Y  +  -0.830614 * Z  +  -1.823747 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.498368  0.044914  2.552513   [DEG:  -28.5544    2.5734  146.2482 ]
ZXZ: -0.565458  2.551005 -0.080717   [DEG:  -32.3983  146.1618   -4.6247 ]
 
# END of job
