
#######################################################
#                                                     #
#                        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  194 ( 1593),  selected  192 , name one
# Molecule2: number of CA atoms  192 ( 1575),  selected  192 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:D  -ch2:D  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45       3_D - 47_D        4.96    45.30
  LCS_AVERAGE:     15.66

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      50_D - 69_D        1.61    22.20
  LONGEST_CONTINUOUS_SEGMENT:    20      51_D - 70_D        1.54    22.75
  LCS_AVERAGE:      5.60

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      51_D - 69_D        0.68    22.39
  LCS_AVERAGE:      3.83

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  192
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     M     1_D     M     1_D      5   14   26      4    4    5   10   13   15   18   20   21   23   25   31   36   44   49   51   54   59   63   66 
LCS_GDT     N     2_D     N     2_D      5   15   40      4    4    5    6    9   14   18   19   21   23   25   26   29   32   38   45   52   58   63   65 
LCS_GDT     S     3_D     S     3_D      5   15   45      4    4    5   10   13   17   18   20   21   23   27   33   38   41   43   47   52   58   63   65 
LCS_GDT     I     4_D     I     4_D     13   15   45      6   11   14   14   15   17   18   22   24   28   34   37   39   42   43   45   48   52   63   65 
LCS_GDT     T     5_D     T     5_D     13   15   45      8   11   14   14   15   17   18   20   21   26   31   36   38   42   43   45   48   52   57   60 
LCS_GDT     H     6_D     H     6_D     13   15   45      8   11   14   14   15   17   18   20   21   24   30   36   38   42   43   45   48   52   57   61 
LCS_GDT     A     7_D     A     7_D     13   15   45      8   11   14   14   15   17   18   22   24   28   34   37   39   42   43   45   48   52   57   65 
LCS_GDT     E     8_D     E     8_D     13   15   45      6   11   14   14   15   17   18   22   24   28   34   37   39   42   43   45   48   52   57   60 
LCS_GDT     F     9_D     F     9_D     13   15   45      8   11   14   14   15   17   18   20   24   27   34   36   39   42   43   45   48   52   57   60 
LCS_GDT     E    10_D     E    10_D     13   15   45      8   11   14   14   15   17   18   21   24   28   34   37   39   42   43   45   48   52   57   60 
LCS_GDT     F    11_D     F    11_D     13   15   45      8   11   14   14   15   17   18   22   24   28   34   37   39   42   43   45   47   52   57   60 
LCS_GDT     S    12_D     S    12_D     13   15   45      8   11   14   14   15   17   18   22   24   28   34   37   39   42   43   45   47   51   57   60 
LCS_GDT     L    13_D     L    13_D     13   15   45      8   11   14   14   15   17   18   22   24   28   34   37   39   42   43   45   47   51   57   60 
LCS_GDT     L    14_D     L    14_D     13   15   45      5   11   14   14   15   17   18   20   24   28   34   37   39   42   43   45   47   51   57   60 
LCS_GDT     E    15_D     E    15_D     13   15   45      5   11   14   14   15   17   18   20   24   28   34   37   39   42   43   45   45   45   47   60 
LCS_GDT     N    16_D     N    16_D     13   15   45      5   10   14   14   15   17   18   22   24   28   34   37   39   42   43   45   45   45   47   49 
LCS_GDT     V    17_D     V    17_D     13   15   45      3    7   11   14   15   16   17   22   24   28   34   37   39   42   43   45   45   45   46   51 
LCS_GDT     K    18_D     K    18_D      4   15   45      3    3    5    7   11   14   17   22   24   28   34   37   39   42   43   45   45   45   46   53 
LCS_GDT     Y    19_D     Y    19_D      4   10   45      3    3    4    7   10   14   17   22   24   28   34   37   39   42   43   45   45   45   48   53 
LCS_GDT     E    20_D     E    20_D      4    7   45      3    3    4    6    9   13   17   22   24   28   34   37   39   42   43   45   45   45   48   61 
LCS_GDT     T    21_D     T    21_D      5    6   45      4    5    5    6    9   16   23   24   25   28   34   37   39   42   43   45   45   45   49   54 
LCS_GDT     E    22_D     E    22_D      5    6   45      4    5    9   13   19   20   23   24   25   28   34   37   39   42   43   45   53   58   63   66 
LCS_GDT     D    23_D     D    23_D      5    6   45      4    5    5    8   12   18   23   24   25   26   33   37   42   46   50   52   54   59   63   66 
LCS_GDT     E    24_D     E    24_D      5    6   45      4    5    5    6    9   12   23   24   25   26   31   37   39   42   43   45   45   56   63   65 
LCS_GDT     V    25_D     V    25_D      5    8   45      4    5    8   13   17   20   23   24   25   28   34   37   39   42   43   46   53   58   63   66 
LCS_GDT     P    26_D     P    26_D      7   11   45      3    4    7    7   10   14   20   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     I    27_D     I    27_D      7   19   45      3    6    9   13   16   20   23   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     V    28_D     V    28_D      7   19   45      5    6   10   13   19   20   23   24   25   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     L    29_D     L    29_D      7   19   45      5    6   10   14   19   20   23   24   25   28   34   38   42   46   50   52   54   59   63   66 
LCS_GDT     E    30_D     E    30_D      7   19   45      5    6    7   13   19   20   23   26   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     Y    31_D     Y    31_D     15   19   45     10   15   15   15   19   20   23   24   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     K    32_D     K    32_D     15   19   45     13   15   15   15   19   20   23   24   25   28   34   37   39   44   46   52   54   59   63   66 
LCS_GDT     E    33_D     E    33_D     15   19   45     13   15   15   15   19   20   23   24   27   29   32   38   42   44   48   52   54   59   63   66 
LCS_GDT     E    34_D     E    34_D     15   19   45     13   15   15   15   19   20   24   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     I    35_D     I    35_D     15   19   45     13   15   15   15   19   20   24   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     I    36_D     I    36_D     15   19   45     13   15   15   15   19   20   23   26   31   33   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     N    37_D     N    37_D     15   19   45     13   15   15   15   19   20   23   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     L    38_D     L    38_D     15   19   45     13   15   15   15   19   20   24   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     I    39_D     I    39_D     15   19   45     13   15   15   15   19   20   24   28   31   34   36   39   42   46   50   52   57   61   64   67 
LCS_GDT     K    40_D     K    40_D     15   19   45     13   15   15   20   23   25   27   28   31   34   36   39   42   46   50   52   57   61   64   67 
LCS_GDT     K    41_D     K    41_D     15   19   45     13   15   15   15   22   25   27   28   31   34   36   39   42   46   50   52   57   61   64   67 
LCS_GDT     F    42_D     F    42_D     15   19   45     13   15   15   15   19   24   26   28   31   34   36   39   42   46   50   52   57   61   64   67 
LCS_GDT     S    43_D     S    43_D     15   19   45     13   19   20   21   23   25   27   28   31   34   36   39   42   46   50   52   57   61   64   67 
LCS_GDT     N    44_D     N    44_D     15   19   45     13   15   15   21   21   21   24   27   31   34   36   39   42   46   50   52   57   61   64   67 
LCS_GDT     S    45_D     S    45_D     15   19   45      7   15   15   15   19   20   23   24   29   34   35   38   42   46   50   52   57   61   64   67 
LCS_GDT     G    46_D     G    46_D      3   16   45      3    5   14   14   15   19   23   26   29   31   35   39   40   44   50   51   57   61   64   67 
LCS_GDT     Q    47_D     Q    47_D      4    5   45      3    3    4    8   12   14   16   20   24   28   32   37   40   42   46   51   57   61   64   67 
LCS_GDT     S    48_D     S    48_D      4    5   43      3    3    4    4   10   15   21   24   27   31   36   39   40   42   46   51   57   61   64   67 
LCS_GDT     G    49_D     G    49_D      4    5   39      3    3    4    5    5    9   16   21   26   31   36   39   40   41   46   51   57   61   64   67 
LCS_GDT     M    50_D     M    50_D      4   20   39      3    3    4    5    5   13   16   24   26   31   35   39   40   42   46   51   57   61   64   67 
LCS_GDT     S    51_D     S    51_D     19   20   39      4   17   20   21   23   25   27   28   30   32   36   39   40   42   46   48   54   61   63   67 
LCS_GDT     A    52_D     A    52_D     19   20   39      4   19   20   21   23   25   27   28   30   32   36   39   40   46   50   52   56   61   64   67 
LCS_GDT     P    53_D     P    53_D     19   20   39      4   19   20   21   23   25   27   28   30   32   36   39   40   42   46   49   56   61   64   67 
LCS_GDT     I    54_D     I    54_D     19   20   39      9   19   20   21   23   25   27   28   30   32   36   39   40   42   46   49   56   61   64   67 
LCS_GDT     T    55_D     T    55_D     19   20   39      9   19   20   21   23   25   27   28   30   32   36   39   40   46   50   52   57   61   64   67 
LCS_GDT     A    56_D     A    56_D     19   20   39      9   19   20   21   23   25   27   28   31   34   36   39   42   46   50   52   57   61   64   67 
LCS_GDT     S    57_D     S    57_D     19   20   39      6   19   20   21   23   25   27   28   30   34   36   39   42   46   50   52   57   61   64   67 
LCS_GDT     I    58_D     I    58_D     19   20   39      9   19   20   21   23   25   27   28   30   32   36   39   40   46   50   52   57   61   64   67 
LCS_GDT     I    59_D     I    59_D     19   20   39      9   19   20   21   23   25   27   28   30   32   36   39   42   46   50   52   57   61   64   67 
LCS_GDT     T    60_D     T    60_D     19   20   39      7   19   20   21   23   25   27   28   31   34   36   39   42   46   50   52   57   61   64   67 
LCS_GDT     N    61_D     N    61_D     19   20   39      9   19   20   21   23   25   27   28   31   34   36   39   42   46   50   52   57   61   64   67 
LCS_GDT     C    62_D     C    62_D     19   20   39      9   19   20   21   23   25   27   28   30   32   36   39   40   42   46   51   57   61   64   67 
LCS_GDT     I    63_D     I    63_D     19   20   39      9   19   20   21   23   25   27   28   30   32   36   39   40   42   46   51   57   61   64   67 
LCS_GDT     K    64_D     K    64_D     19   20   39      9   19   20   21   23   25   27   28   30   32   36   39   40   42   46   51   57   61   64   67 
LCS_GDT     N    65_D     N    65_D     19   20   39      9   19   20   21   23   25   27   28   30   32   36   39   40   42   46   51   57   61   64   67 
LCS_GDT     L    66_D     L    66_D     19   20   39      9   19   20   21   23   25   27   28   30   32   36   39   40   42   46   51   57   61   64   67 
LCS_GDT     M    67_D     M    67_D     19   20   39      9   19   20   21   23   25   27   28   30   32   36   39   40   42   46   51   56   61   64   67 
LCS_GDT     A    68_D     A    68_D     19   20   39      9   19   20   21   23   25   27   28   30   32   36   39   40   42   46   48   56   61   64   67 
LCS_GDT     F    69_D     F    69_D     19   20   39      8   19   20   21   23   25   27   28   30   32   36   39   40   42   46   51   57   61   64   67 
LCS_GDT     K    70_D     K    70_D      4   20   39      3    4    5    6    8   13   21   25   30   32   36   39   40   42   46   48   50   53   56   59 
LCS_GDT     P    71_D     P    71_D      4    5   39      3    4    4    4    5    8   10   12   14   18   28   31   37   40   42   44   48   50   52   55 
LCS_GDT     I    72_D     I    72_D      3    5   39      3    3    4    4    5    5    8    9   13   18   19   26   33   34   35   40   45   49   52   56 
LCS_GDT     G    73_D     G    73_D      3    5   39      3    3    4    4    6    9   11   12   18   22   24   27   33   34   35   39   42   47   47   50 
LCS_GDT     P    74_D     P    74_D      3    5   39      3    3    5    5    7    9   13   17   20   25   28   32   35   40   42   44   48   50   52   54 
LCS_GDT     L    75_D     L    75_D      3    5   39      3    3    5    8   14   16   21   26   30   32   36   39   40   41   44   46   48   52   53   60 
LCS_GDT     V    76_D     V    76_D      3    5   39      3    3    4    5    6    9   14   17   22   26   30   35   38   40   42   44   48   52   52   60 
LCS_GDT     G    77_D     G    77_D      4    5   39      3    4    5    6   10   15   18   22   26   32   34   38   39   40   42   45   48   52   52   60 
LCS_GDT     N    78_D     N    78_D      4    5   39      3    4    5    8   14   15   21   26   30   32   36   38   39   41   44   45   48   53   57   61 
LCS_GDT     E    79_D     E    79_D      4    5   33      3    4    4    6   16   20   26   28   30   32   36   39   40   42   46   51   57   61   64   67 
LCS_GDT     E    80_D     E    80_D      4    5   30      3    4    4    5    9   12   16   21   27   31   34   39   40   42   46   51   57   61   64   67 
LCS_GDT     E    81_D     E    81_D      3    5   23      3    3   13   18   23   25   27   28   30   31   34   39   40   42   46   51   57   61   64   67 
LCS_GDT     W    82_D     W    82_D      4    5   23      3    3    4    6    8    9   12   13   17   27   31   34   37   42   46   51   57   61   64   67 
LCS_GDT     N    83_D     N    83_D      4    6   23      3    3    4    6    9    9   11   14   17   18   21   23   24   27   30   47   56   61   64   67 
LCS_GDT     Y    84_D     Y    84_D      4    6   23      3    3    6    7    9   10   11   14   17   18   21   23   24   25   27   30   34   41   43   50 
LCS_GDT     N    85_D     N    85_D      4    7   23      3    3    5    6    8    9   10   12   14   18   19   20   22   24   27   30   33   41   41   44 
LCS_GDT     S    86_D     S    86_D      3    7   23      3    3    5    7    8    9   11   12   14   18   19   20   21   23   26   30   34   41   41   44 
LCS_GDT     D    87_D     D    87_D      4    7   23      0    4    4    6    7    9   11   12   14   17   19   20   21   23   26   30   34   37   41   44 
LCS_GDT     D    88_D     D    88_D      4    7   23      3    4    5    6    7    9   11   12   14   17   19   20   24   25   26   30   34   37   39   43 
LCS_GDT     S    89_D     S    89_D      4    7   23      3    4    5    6    9   10   13   15   16   20   21   24   26   27   31   32   35   38   41   44 
LCS_GDT     F    90_D     F    90_D      4    7   23      3    4    5    6   10   12   14   17   18   20   21   24   26   27   31   32   35   38   41   44 
LCS_GDT     Q    91_D     Q    91_D      4    7   19      3    4    5    6   10   11   13   16   18   20   21   24   26   29   32   33   35   38   41   44 
LCS_GDT     N    92_D     N    92_D      4    7   23      3    4    5    6   10   11   14   17   18   20   21   24   26   29   32   33   36   41   43   50 
LCS_GDT     N    93_D     N    93_D      4    7   23      3    4    7    7    9   10   10   11   17   18   21   23   24   26   29   31   36   41   42   47 
LCS_GDT     R    94_D     R    94_D      4    7   23      3    4    5    6    7    7    7   16   18   20   21   25   32   38   42   51   57   61   64   67 
LCS_GDT     L    95_D     L    95_D      4    7   23      4    5    5    6    7   10   13   15   17   21   30   32   37   40   44   51   57   61   64   67 
LCS_GDT     S    96_D     S    96_D      4    8   23      4    5    7    7    9   10   12   15   17   21   22   26   29   32   38   49   57   61   64   67 
LCS_GDT     A    97_D     A    97_D      4    8   23      4    5    5    5    8    9   12   15   17   21   23   26   34   39   44   51   57   61   64   67 
LCS_GDT     V    98_D     V    98_D      5    8   23      4    5    7    7    9   10   11   14   17   18   21   32   36   40   44   51   57   61   64   67 
LCS_GDT     F    99_D     F    99_D      5    8   23      3    5    7    7    9   10   11   14   17   21   22   26   30   38   44   51   57   61   64   67 
LCS_GDT     K   100_D     K   100_D      5    8   23      3    5    7    7    9   10   10   15   17   21   22   26   29   37   44   51   57   61   64   67 
LCS_GDT     T   101_D     T   101_D      5    8   23      3    5    7    7    9   10   11   14   17   21   22   26   29   31   34   38   55   61   64   67 
LCS_GDT     G   102_D     G   102_D      5    8   23      3    5    7    7    9   10   10   15   17   21   22   26   29   32   42   51   57   61   64   67 
LCS_GDT     L   103_D     L   103_D      4    8   25      3    4    5    7    9    9   10   14   17   21   30   32   37   40   44   51   57   61   64   67 
LCS_GDT     N   104_D     N   104_D      4    5   25      3    4    4    4    6    8   10   15   23   27   31   32   36   40   44   51   57   61   64   67 
LCS_GDT     G   105_D     G   105_D      5    7   25      3    6    7    7    8   11   14   18   19   22   24   26   31   39   44   51   57   61   64   67 
LCS_GDT     K   106_D     K   106_D      5    7   26      3    6    7    9   12   15   17   18   20   22   24   27   34   39   44   51   57   61   64   67 
LCS_GDT     P   107_D     P   107_D      5    7   26      3    6    7   10   13   15   17   19   20   22   24   27   33   39   44   51   57   61   64   67 
LCS_GDT     Y   108_D     Y   108_D      5    7   26      3    6    7   10   13   15   17   19   20   22   24   27   34   39   44   51   57   61   64   67 
LCS_GDT     Y   109_D     Y   109_D      5    7   26      3    6    7    7    9   15   17   19   20   22   24   27   34   39   44   51   57   61   64   67 
LCS_GDT     L   110_D     L   110_D      4    7   26      3    5    7   10   13   15   17   19   25   30   35   38   42   46   50   52   57   60   64   67 
LCS_GDT     D   111_D     D   111_D      4    7   26      3    5    7   10   13   15   17   19   20   21   27   37   42   46   50   52   57   60   64   67 
LCS_GDT     A   112_D     A   112_D      4    7   26      3    3    5    6   11   12   15   17   20   23   26   30   34   43   50   52   57   61   64   67 
LCS_GDT     I   113_D     I   113_D      4    7   26      3    3    4    9   11   14   17   19   20   22   24   27   34   39   44   51   57   61   64   67 
LCS_GDT     T   114_D     T   114_D      4   11   26      3    4    7   10   13   15   17   19   20   22   24   27   34   39   44   51   57   61   64   67 
LCS_GDT     F   115_D     F   115_D      4   11   26      3    4    7   10   13   15   17   19   20   22   24   27   34   39   44   51   57   61   64   67 
LCS_GDT     V   116_D     V   116_D      4   11   26      3    4    7   10   13   15   17   19   20   22   24   27   34   39   44   51   57   61   64   67 
LCS_GDT     G   117_D     G   117_D      4   11   26      0    4    7   10   13   15   17   19   20   20   23   26   33   34   40   49   57   61   64   67 
LCS_GDT     E   118_D     E   118_D      3   11   26      0    3    3    5    8   13   17   19   20   20   22   25   31   36   44   51   57   61   64   67 
LCS_GDT     E   119_D     E   119_D      3   11   26      1    3    7   10   13   15   17   19   20   20   24   27   34   39   44   51   57   61   64   67 
LCS_GDT     E   120_D     E   120_D      3   11   26      3    4    7   10   13   15   17   19   20   22   24   27   34   39   43   49   57   60   64   67 
LCS_GDT     Y   121_D     Y   121_D      3   11   26      3    4    4    6   10   14   17   19   20   22   24   27   33   36   43   49   57   60   64   67 
LCS_GDT     D   122_D     D   122_D      3   11   26      3    4    7   10   13   15   17   19   20   22   24   27   33   36   40   49   57   60   64   67 
LCS_GDT     T   123_D     T   123_D      3   11   26      3    6    6    7   13   15   17   19   20   22   24   27   33   35   39   49   56   60   64   67 
LCS_GDT     F   124_D     F   124_D      3   11   26      3    4    7   10   13   15   17   19   20   20   24   27   33   34   38   45   53   60   64   66 
LCS_GDT     H   125_D     H   125_D      3    6   26      1    3    4    8   11   14   16   19   20   22   24   27   33   34   39   49   55   60   64   67 
LCS_GDT     G   126_D     G   126_D      3    6   26      3    3    4    6    8   13   15   17   19   22   24   27   33   34   36   40   47   51   60   64 
LCS_GDT     H   127_D     H   127_D      3    6   26      3    3    4    6    7   10   13   16   19   22   24   27   33   34   38   43   51   57   63   66 
LCS_GDT     V   128_D     V   128_D      3    6   26      3    3    4    6    7    8   11   11   13   17   20   25   33   34   36   40   44   51   58   63 
LCS_GDT     E   129_D     E   129_D      3    6   26      0    4    5    6    7    8   11   11   13   16   19   21   25   28   36   39   43   47   47   56 
LCS_GDT     G   130_D     G   130_D      3    6   26      0    3    4    6    7    9   11   11   19   22   24   27   33   34   36   39   43   48   53   56 
LCS_GDT     I   131_D     I   131_D      3    6   26      0    3    4    5    7    8   10   14   16   18   23   27   33   34   36   39   43   48   53   56 
LCS_GDT     S   132_D     S   132_D      3    7   21      0    3    5    6    7    8   13   15   16   18   23   27   33   34   35   39   43   48   53   56 
LCS_GDT     S   133_D     S   133_D      3    7   21      3    3    4    4    7   11   13   16   19   20   21   25   28   34   35   39   45   51   53   58 
LCS_GDT     R   134_D     R   134_D      5    8   21      3    5    5    7   11   12   15   17   19   20   21   24   26   30   33   37   44   51   53   56 
LCS_GDT     Q   135_D     Q   135_D      5    8   21      3    5    5    7   11   12   15   17   18   20   21   24   26   29   31   34   43   51   53   56 
LCS_GDT     Y   136_D     Y   136_D      5    8   21      3    5    5    6   11   12   15   17   18   20   21   24   26   29   31   33   37   42   45   53 
LCS_GDT     L   137_D     L   137_D      5    8   21      3    5    5    7   11   12   15   17   18   20   21   24   26   29   32   40   47   54   58   62 
LCS_GDT     K   138_D     K   138_D      5    8   21      3    5    5    7   11   12   15   17   18   20   21   24   26   29   31   33   35   38   46   51 
LCS_GDT     G   139_D     G   139_D      5    8   21      2    3    5    7   11   12   15   17   18   20   21   24   26   29   31   33   35   38   42   50 
LCS_GDT     F   140_D     F   140_D      3    8   21      0    3    4    6   11   12   15   17   18   20   21   24   26   29   31   33   37   43   46   54 
LCS_GDT     P   141_D     P   141_D      3    8   21      3    3    4    7   11   12   15   17   18   21   24   26   32   33   37   42   46   50   54   57 
LCS_GDT     F   142_D     F   142_D      3    6   21      3    3    4    5   11   16   19   21   23   26   28   32   36   39   44   48   50   54   56   59 
LCS_GDT     F   143_D     F   143_D      3    6   21      3    3    4    6   11   12   16   26   27   31   33   35   36   42   46   48   52   55   59   65 
LCS_GDT     P   144_D     P   144_D      4    6   21      3    4   10   15   18   20   24   27   31   34   35   38   42   46   50   52   55   61   64   67 
LCS_GDT     K   145_D     K   145_D      4    6   21      3    4    4    5   10   12   15   17   19   21   26   29   42   46   50   52   56   61   64   67 
LCS_GDT     T   146_D     T   146_D      4    7   21      3    4    5    9   13   15   17   19   20   23   26   30   37   42   46   52   54   59   63   67 
LCS_GDT     F   147_D     F   147_D      4    8   21      4    5    5    6    7    8   14   15   16   19   24   27   29   32   33   46   49   52   60   65 
LCS_GDT     Y   148_D     Y   148_D      4    8   21      3    4    5    6    8   11   14   16   17   21   26   30   37   42   48   51   54   59   63   66 
LCS_GDT     I   149_D     I   149_D      6   10   15      4    5    6    6    8    9   12   12   17   20   27   30   37   43   48   51   54   59   63   66 
LCS_GDT     N   150_D     N   150_D      6   10   15      4    5    6    7    9    9   12   12   16   20   27   31   37   43   48   51   54   59   63   66 
LCS_GDT     V   151_D     V   151_D      6   10   15      4    5    6    7    9    9   12   12   14   14   16   18   31   39   42   51   53   57   63   66 
LCS_GDT     Y   152_D     Y   152_D      6   10   15      4    5    6    7    9    9   12   12   12   14   16   17   18   21   21   28   35   41   48   58 
LCS_GDT     K   153_D     K   153_D      6   10   15      4    5    6    7    9    9   12   12   12   14   16   17   18   19   21   22   24   28   35   45 
LCS_GDT     D   154_D     D   154_D      6   10   15      4    5    6    6    9    9   12   12   12   14   16   17   18   19   21   22   23   28   32   36 
LCS_GDT     F   155_D     F   155_D      5   10   15      4    5    5    7    9    9   12   12   12   14   16   17   18   19   21   22   23   28   32   36 
LCS_GDT     E   156_D     E   156_D      5   10   15      4    5    6    7    9    9   12   12   12   13   16   17   18   19   21   22   25   28   32   36 
LCS_GDT     N   157_D     N   157_D      4   10   15      4    4    6    7    9    9   10   11   11   12   16   17   18   19   21   22   25   28   32   36 
LCS_GDT     K   158_D     K   158_D      4   10   15      4    4    6    7    9    9   10   11   12   14   16   17   18   19   21   22   24   28   32   36 
LCS_GDT     D   159_D     D   159_D      3    5   15      3    3    4    4    5    6    8    8   10   11   13   16   16   19   22   24   25   28   32   36 
LCS_GDT     E   160_D     E   160_D      3    5   16      3    3    4    4    5    7    8    9   10   11   12   16   16   19   22   24   25   28   32   33 
LCS_GDT     N   161_D     N   161_D      6    7   18      3    3    6    6    7    7    8    9   10   12   14   16   16   19   22   24   25   28   32   33 
LCS_GDT     N   162_D     N   162_D      6    7   18      4    5    6    6    7    7    8   10   12   14   15   16   16   19   19   22   24   28   32   33 
LCS_GDT     L   163_D     L   163_D      6    7   18      4    5    6    6    7    7    8    9   11   14   15   16   16   17   21   24   29   42   53   58 
LCS_GDT     C   164_D     C   164_D      6    7   18      4    5    6    6    7    7   10   13   14   14   15   18   19   20   25   28   34   45   50   56 
LCS_GDT     S   165_D     S   165_D      6    7   18      4    5    6    6    7    7   10   13   14   14   15   18   19   22   25   32   36   44   47   53 
LCS_GDT     G   166_D     G   166_D      6    7   18      3    5    6    6    7    8   10   13   14   14   15   19   24   28   32   38   42   45   48   56 
LCS_GDT     D   167_D     D   167_D      3    7   18      3    4    5    6    7    8   10   13   14   14   15   19   28   31   34   38   42   45   48   51 
LCS_GDT     D   168_D     D   168_D      4    8   18      3    4    5    6    8    9   10   13   14   14   17   25   28   31   34   38   42   45   48   51 
LCS_GDT     G   169_D     G   169_D      4    8   18      3    4    4    6    8    9   10   13   14   15   17   18   18   22   25   28   39   43   46   51 
LCS_GDT     E   170_D     E   170_D      4    8   18      2    4    4    6    8    9   10   13   14   15   17   18   18   22   25   28   29   31   32   41 
LCS_GDT     Y   171_D     Y   171_D      5    8   18      3    5    5    6    8    9   10   13   14   14   15   16   19   19   25   28   29   31   32   35 
LCS_GDT     T   172_D     T   172_D      5    8   18      3    5    5    6    8    9   10   13   14   14   15   16   16   20   22   32   36   41   47   54 
LCS_GDT     Y   173_D     Y   173_D      5    8   20      3    5    5    6    8    9   10   13   14   14   15   17   26   30   39   47   53   58   61   66 
LCS_GDT     R   174_D     R   174_D      5    8   20      3    5    5    6    7    9   10   14   20   25   32   37   42   46   50   52   54   59   63   66 
LCS_GDT     I   175_D     I   175_D      5    8   20      3    5    5    6    8   13   13   18   29   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     K   176_D     K   176_D      4    8   20      3    4   11   11   15   20   24   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     Y   177_D     Y   177_D      4    6   20      3   10   11   15   18   20   24   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     P   178_D     P   178_D      4    6   20      4   10   11   15   18   20   24   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     E   179_D     E   179_D      4    4   20      3    4    4    4    6    9   18   23   27   31   34   38   42   44   48   52   54   59   63   66 
LCS_GDT     Q   180_D     Q   180_D      4   10   20      3    4    4    7    8   11   18   23   27   32   34   38   42   45   49   52   54   59   63   66 
LCS_GDT     L   181_D     L   181_D      8   10   20      7   10   11   15   22   23   26   28   31   34   36   39   42   46   50   52   54   59   63   66 
LCS_GDT     E   182_D     E   182_D      8   10   20      7   10   11   15   18   25   27   28   31   34   36   39   42   46   50   52   54   59   63   66 
LCS_GDT     E   183_D     E   183_D      8   10   20      7   10   11   20   20   25   27   28   31   34   36   39   42   46   50   52   54   59   63   66 
LCS_GDT     V   184_D     V   184_D      8   10   20      7   13   19   21   23   25   27   28   31   34   36   39   42   46   50   52   54   59   63   66 
LCS_GDT     F   185_D     F   185_D      8   10   20      7   10   11   15   22   24   27   28   31   34   36   39   42   46   50   52   54   59   63   66 
LCS_GDT     N   186_D     N   186_D      8   10   20      7   10   11   15   18   20   24   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     Y   187_D     Y   187_D      8   10   20      7   10   11   15   18   20   24   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     Y   188_D     Y   188_D      8   10   20      4   10   11   15   18   20   24   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     D   189_D     D   189_D      3   10   20      1    4    5   11   16   20   24   27   31   34   35   38   42   46   50   52   54   59   63   66 
LCS_GDT     K   190_D     K   190_D      3    3   20      3    5    5    5    5    6    9   13   17   21   29   35   42   46   50   52   54   59   63   66 
LCS_GDT     F   191_D     F   191_D      3    3   20      3    5    5    5    5    6   12   13   17   21   27   32   37   44   50   51   54   59   63   66 
LCS_GDT     T   192_D     T   192_D      3    3   20      3    5    5    5    7    7   12   13   17   21   27   31   37   44   50   51   54   58   63   66 
LCS_AVERAGE  LCS_A:   8.36  (   3.83    5.60   15.66 )

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     13     19     20     21     23     25     27     28     31     34     36     39     42     46     50     52     57     61     64     67 
GDT PERCENT_AT   6.77   9.90  10.42  10.94  11.98  13.02  14.06  14.58  16.15  17.71  18.75  20.31  21.88  23.96  26.04  27.08  29.69  31.77  33.33  34.90
GDT RMS_LOCAL    0.28   0.63   0.69   0.83   1.19   1.56   1.76   1.88   2.96   3.31   3.52   3.74   4.02   4.67   5.19   5.10   6.41   6.65   6.77   6.94
GDT RMS_ALL_AT  28.06  22.44  22.40  22.34  22.76  23.09  23.19  23.18  19.31  19.20  24.11  23.67  19.32  19.06  18.94  19.19  22.68  22.21  22.62  22.71

# Checking swapping
#   possible swapping detected:  E    10_D      E    10_D
#   possible swapping detected:  E    15_D      E    15_D
#   possible swapping detected:  E    20_D      E    20_D
#   possible swapping detected:  E    24_D      E    24_D
#   possible swapping detected:  E    30_D      E    30_D
#   possible swapping detected:  Y    31_D      Y    31_D
#   possible swapping detected:  E    34_D      E    34_D
#   possible swapping detected:  F    69_D      F    69_D
#   possible swapping detected:  E    81_D      E    81_D
#   possible swapping detected:  D    87_D      D    87_D
#   possible swapping detected:  F    90_D      F    90_D
#   possible swapping detected:  F    99_D      F    99_D
#   possible swapping detected:  D   111_D      D   111_D
#   possible swapping detected:  E   118_D      E   118_D
#   possible swapping detected:  E   120_D      E   120_D
#   possible swapping detected:  Y   121_D      Y   121_D
#   possible swapping detected:  F   124_D      F   124_D
#   possible swapping detected:  E   129_D      E   129_D
#   possible swapping detected:  Y   136_D      Y   136_D
#   possible swapping detected:  F   140_D      F   140_D
#   possible swapping detected:  F   142_D      F   142_D
#   possible swapping detected:  Y   148_D      Y   148_D
#   possible swapping detected:  Y   152_D      Y   152_D
#   possible swapping detected:  D   154_D      D   154_D
#   possible swapping detected:  F   155_D      F   155_D
#   possible swapping detected:  E   156_D      E   156_D
#   possible swapping detected:  D   159_D      D   159_D
#   possible swapping detected:  D   167_D      D   167_D
#   possible swapping detected:  E   170_D      E   170_D
#   possible swapping detected:  Y   171_D      Y   171_D
#   possible swapping detected:  Y   177_D      Y   177_D
#   possible swapping detected:  E   182_D      E   182_D
#   possible swapping detected:  Y   187_D      Y   187_D
#   possible swapping detected:  F   191_D      F   191_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_D      M     1_D    15.704     0    0.580   1.235    19.074    0.000    0.000
LGA    N     2_D      N     2_D    17.706     0    0.179   0.490    19.782    0.000    0.000
LGA    S     3_D      S     3_D    15.899     0    0.271   0.733    17.963    0.000    0.000
LGA    I     4_D      I     4_D    20.141     0    0.276   1.374    24.283    0.000    0.000
LGA    T     5_D      T     5_D    26.026     0    0.042   0.077    29.411    0.000    0.000
LGA    H     6_D      H     6_D    25.642     0    0.049   1.269    27.106    0.000    0.000
LGA    A     7_D      A     7_D    24.126     0    0.032   0.037    27.799    0.000    0.000
LGA    E     8_D      E     8_D    29.440     0    0.049   1.194    33.171    0.000    0.000
LGA    F     9_D      F     9_D    33.277     0    0.055   0.054    39.761    0.000    0.000
LGA    E    10_D      E    10_D    31.264     0    0.024   1.430    33.661    0.000    0.000
LGA    F    11_D      F    11_D    33.044     0    0.066   0.900    37.311    0.000    0.000
LGA    S    12_D      S    12_D    38.793     0    0.060   0.716    42.192    0.000    0.000
LGA    L    13_D      L    13_D    40.093     0    0.052   1.171    42.062    0.000    0.000
LGA    L    14_D      L    14_D    38.595     0    0.107   1.384    42.031    0.000    0.000
LGA    E    15_D      E    15_D    43.277     0    0.068   0.828    47.199    0.000    0.000
LGA    N    16_D      N    16_D    47.748     0    0.260   1.092    50.772    0.000    0.000
LGA    V    17_D      V    17_D    47.028     0    0.402   1.092    48.028    0.000    0.000
LGA    K    18_D      K    18_D    49.721     0    0.111   0.428    55.064    0.000    0.000
LGA    Y    19_D      Y    19_D    47.535     0    0.239   1.529    49.958    0.000    0.000
LGA    E    20_D      E    20_D    47.158     0    0.638   1.514    52.401    0.000    0.000
LGA    T    21_D      T    21_D    40.918     0    0.611   1.362    43.030    0.000    0.000
LGA    E    22_D      E    22_D    35.765     0    0.107   1.333    37.907    0.000    0.000
LGA    D    23_D      D    23_D    36.687     0    0.091   1.206    39.064    0.000    0.000
LGA    E    24_D      E    24_D    36.672     0    0.136   1.026    44.496    0.000    0.000
LGA    V    25_D      V    25_D    31.003     0    0.609   0.604    33.070    0.000    0.000
LGA    P    26_D      P    26_D    29.325     0    0.623   0.916    32.703    0.000    0.000
LGA    I    27_D      I    27_D    26.959     0    0.047   0.305    30.478    0.000    0.000
LGA    V    28_D      V    28_D    21.878     0    0.111   0.997    24.163    0.000    0.000
LGA    L    29_D      L    29_D    21.532     0    0.075   0.178    25.712    0.000    0.000
LGA    E    30_D      E    30_D    21.252     0    0.082   1.266    22.709    0.000    0.000
LGA    Y    31_D      Y    31_D    18.497     0    0.291   1.574    23.586    0.000    0.000
LGA    K    32_D      K    32_D    16.008     0    0.045   0.106    18.457    0.000    0.000
LGA    E    33_D      E    33_D    13.173     0    0.024   0.797    14.566    0.000    0.000
LGA    E    34_D      E    34_D    12.401     0    0.063   1.657    18.538    0.000    0.000
LGA    I    35_D      I    35_D    11.208     0    0.059   0.627    15.997    1.310    0.655
LGA    I    36_D      I    36_D     8.718     0    0.026   0.650    12.081    8.690    4.762
LGA    N    37_D      N    37_D     6.257     0    0.060   0.094     8.336   21.429   15.476
LGA    L    38_D      L    38_D     6.781     0    0.050   0.074    10.337   21.071   11.845
LGA    I    39_D      I    39_D     4.252     0    0.043   0.737     6.515   48.333   36.310
LGA    K    40_D      K    40_D     1.870     0    0.045   0.078     7.376   75.476   50.952
LGA    K    41_D      K    41_D     2.797     0    0.029   0.724     6.104   54.286   42.011
LGA    F    42_D      F    42_D     3.777     0    0.075   0.240     5.887   45.119   37.749
LGA    S    43_D      S    43_D     2.526     0    0.111   0.623     4.637   51.190   55.714
LGA    N    44_D      N    44_D     5.476     0    0.262   0.656     8.141   20.357   24.583
LGA    S    45_D      S    45_D     7.524     0    0.289   0.710    10.057    7.857    5.397
LGA    G    46_D      G    46_D     7.033     0    0.652   0.652     7.761   12.143   12.143
LGA    Q    47_D      Q    47_D     8.814     0    0.675   1.106    15.289    6.786    3.016
LGA    S    48_D      S    48_D     8.608     0    0.145   0.567     9.627    3.810    2.857
LGA    G    49_D      G    49_D     9.170     0    0.279   0.279     9.170    3.452    3.452
LGA    M    50_D      M    50_D     8.754     0    0.630   0.949    16.002    9.524    4.762
LGA    S    51_D      S    51_D     2.635     0    0.653   0.552     4.546   48.929   51.746
LGA    A    52_D      A    52_D     1.385     0    0.091   0.094     2.008   81.786   81.714
LGA    P    53_D      P    53_D     1.461     0    0.041   0.572     2.611   81.429   75.782
LGA    I    54_D      I    54_D     1.464     0    0.132   0.302     2.224   79.286   75.060
LGA    T    55_D      T    55_D     1.221     0    0.091   0.154     1.793   83.690   81.497
LGA    A    56_D      A    56_D     0.401     0    0.074   0.083     0.672   95.238   94.286
LGA    S    57_D      S    57_D     1.806     0    0.051   0.668     2.898   79.286   71.905
LGA    I    58_D      I    58_D     1.622     0    0.026   0.078     3.481   79.405   69.286
LGA    I    59_D      I    59_D     1.046     0    0.042   1.286     4.872   85.952   70.595
LGA    T    60_D      T    60_D     1.143     0    0.107   1.085     3.988   88.214   79.932
LGA    N    61_D      N    61_D     0.887     0    0.043   0.898     2.864   90.476   80.774
LGA    C    62_D      C    62_D     0.438     0    0.054   0.713     2.071  100.000   92.540
LGA    I    63_D      I    63_D     0.502     0    0.031   0.084     1.053   97.619   92.917
LGA    K    64_D      K    64_D     0.662     0    0.045   0.963     6.144   92.857   71.799
LGA    N    65_D      N    65_D     0.682     0    0.058   1.085     4.734   92.857   75.060
LGA    L    66_D      L    66_D     0.440     0    0.065   1.386     4.509  100.000   79.524
LGA    M    67_D      M    67_D     0.173     0    0.142   1.055     3.736   97.619   86.131
LGA    A    68_D      A    68_D     0.405     0    0.266   0.274     0.782   97.619   96.190
LGA    F    69_D      F    69_D     0.704     0    0.326   1.046    10.691   73.929   37.143
LGA    K    70_D      K    70_D     6.988     0    0.078   0.675    15.453   14.524    6.931
LGA    P    71_D      P    71_D    12.670     0    0.624   0.960    14.977    0.000    0.000
LGA    I    72_D      I    72_D    13.119     0    0.427   0.519    16.338    0.000    0.000
LGA    G    73_D      G    73_D    16.885     0    0.710   0.710    16.885    0.000    0.000
LGA    P    74_D      P    74_D    13.088     0    0.447   0.670    15.737    0.000    0.000
LGA    L    75_D      L    75_D     9.371     0    0.595   1.104    12.590    0.357    4.107
LGA    V    76_D      V    76_D    15.233     0    0.090   1.167    18.319    0.000    0.000
LGA    G    77_D      G    77_D    13.903     0    0.550   0.550    13.903    0.000    0.000
LGA    N    78_D      N    78_D    12.439     0    0.092   0.245    13.453    0.714    0.357
LGA    E    79_D      E    79_D     7.730     0    0.571   1.273    11.443   18.095    9.365
LGA    E    80_D      E    80_D     6.902     0    0.656   1.216    12.568   22.976   10.370
LGA    E    81_D      E    81_D     2.267     0    0.324   0.881     6.145   44.167   44.921
LGA    W    82_D      W    82_D     7.921     0    0.622   1.315    13.097    6.071    1.905
LGA    N    83_D      N    83_D    13.625     0    0.211   0.628    19.115    0.000    0.000
LGA    Y    84_D      Y    84_D    18.685     0    0.481   1.152    22.819    0.000    0.040
LGA    N    85_D      N    85_D    24.803     0    0.419   0.481    26.998    0.000    0.000
LGA    S    86_D      S    86_D    27.614     0    0.676   0.583    29.408    0.000    0.000
LGA    D    87_D      D    87_D    33.446     0    0.609   0.615    37.598    0.000    0.000
LGA    D    88_D      D    88_D    34.274     0    0.133   1.099    36.943    0.000    0.000
LGA    S    89_D      S    89_D    32.949     0    0.061   0.767    33.984    0.000    0.000
LGA    F    90_D      F    90_D    28.799     0    0.354   0.521    31.471    0.000    0.000
LGA    Q    91_D      Q    91_D    25.774     0    0.016   0.978    29.028    0.000    0.000
LGA    N    92_D      N    92_D    19.044     0    0.106   1.154    21.301    0.000    0.000
LGA    N    93_D      N    93_D    18.942     0    0.253   0.310    24.437    0.000    0.000
LGA    R    94_D      R    94_D    12.090     0    0.212   1.079    14.392    0.000    8.571
LGA    L    95_D      L    95_D    10.114     0    0.542   1.207    12.125    0.000    0.060
LGA    S    96_D      S    96_D    16.313     0    0.228   0.222    19.022    0.000    0.000
LGA    A    97_D      A    97_D    14.758     0    0.260   0.265    14.944    0.000    0.000
LGA    V    98_D      V    98_D    11.180     0    0.391   1.110    12.521    0.000    1.156
LGA    F    99_D      F    99_D    12.297     0    0.113   1.292    13.190    0.119    0.130
LGA    K   100_D      K   100_D    12.802     0    0.099   1.102    14.687    0.000    0.000
LGA    T   101_D      T   101_D    13.909     0    0.608   0.620    14.524    0.000    0.000
LGA    G   102_D      G   102_D    14.240     0    0.072   0.072    14.240    0.000    0.000
LGA    L   103_D      L   103_D    11.705     0    0.077   1.089    16.048    2.857    1.429
LGA    N   104_D      N   104_D     9.021     0    0.225   1.042    11.731    0.357    2.560
LGA    G   105_D      G   105_D    12.989     0    0.667   0.667    13.491    0.000    0.000
LGA    K   106_D      K   106_D    14.418     0    0.074   0.758    16.406    0.000    0.000
LGA    P   107_D      P   107_D    14.934     0    0.087   0.636    15.687    0.000    0.000
LGA    Y   108_D      Y   108_D    16.102     0    0.102   1.147    20.901    0.000    0.000
LGA    Y   109_D      Y   109_D    16.875     0    0.197   0.417    20.739    0.000    0.000
LGA    L   110_D      L   110_D    22.461     0    0.519   0.415    25.114    0.000    0.000
LGA    D   111_D      D   111_D    22.372     0    0.341   0.348    23.213    0.000    0.000
LGA    A   112_D      A   112_D    20.920     0    0.251   0.252    21.443    0.000    0.000
LGA    I   113_D      I   113_D    21.486     0    0.486   0.393    24.913    0.000    0.000
LGA    T   114_D      T   114_D    23.264     0    0.623   1.025    24.939    0.000    0.000
LGA    F   115_D      F   115_D    22.674     0    0.117   1.590    24.715    0.000    0.000
LGA    V   116_D      V   116_D    23.071     0    0.355   0.467    25.580    0.000    0.000
LGA    G   117_D      G   117_D    27.494     0    0.544   0.544    27.948    0.000    0.000
LGA    E   118_D      E   118_D    27.776     0    0.259   0.735    28.673    0.000    0.000
LGA    E   119_D      E   119_D    30.870     0    0.626   0.758    35.051    0.000    0.000
LGA    E   120_D      E   120_D    33.989     0    0.549   1.117    38.925    0.000    0.000
LGA    Y   121_D      Y   121_D    33.523     0    0.289   0.197    36.365    0.000    0.000
LGA    D   122_D      D   122_D    35.003     0    0.326   1.486    36.440    0.000    0.000
LGA    T   123_D      T   123_D    33.923     0    0.130   0.206    36.456    0.000    0.000
LGA    F   124_D      F   124_D    33.177     0    0.652   1.523    34.307    0.000    0.000
LGA    H   125_D      H   125_D    31.359     0    0.571   1.343    34.195    0.000    0.000
LGA    G   126_D      G   126_D    35.525     0    0.305   0.305    35.525    0.000    0.000
LGA    H   127_D      H   127_D    34.646     0    0.703   0.663    35.959    0.000    0.000
LGA    V   128_D      V   128_D    36.898     0    0.174   1.046    39.134    0.000    0.000
LGA    E   129_D      E   129_D    39.908     0    0.545   1.095    44.675    0.000    0.000
LGA    G   130_D      G   130_D    39.009     0    0.696   0.696    39.519    0.000    0.000
LGA    I   131_D      I   131_D    38.454     0    0.580   0.779    39.718    0.000    0.000
LGA    S   132_D      S   132_D    34.414     0    0.623   0.554    35.414    0.000    0.000
LGA    S   133_D      S   133_D    31.338     0    0.683   0.976    33.207    0.000    0.000
LGA    R   134_D      R   134_D    31.142     0    0.066   1.345    40.763    0.000    0.000
LGA    Q   135_D      Q   135_D    27.733     0    0.416   1.323    31.224    0.000    0.000
LGA    Y   136_D      Y   136_D    23.377     0    0.107   1.338    33.172    0.000    0.000
LGA    L   137_D      L   137_D    21.044     0    0.396   1.033    23.614    0.000    0.000
LGA    K   138_D      K   138_D    21.110     0    0.352   0.839    23.944    0.000    0.000
LGA    G   139_D      G   139_D    21.331     0    0.690   0.690    21.331    0.000    0.000
LGA    F   140_D      F   140_D    16.916     0    0.449   1.257    20.348    0.000    0.000
LGA    P   141_D      P   141_D    13.749     0    0.027   0.111    15.726    0.357    0.204
LGA    F   142_D      F   142_D     8.950     0    0.429   1.521    11.664    6.548    2.641
LGA    F   143_D      F   143_D     5.942     0    0.109   1.241    10.244   15.476    8.615
LGA    P   144_D      P   144_D    10.210     0    0.583   0.586    12.069    1.190    1.361
LGA    K   145_D      K   145_D    12.484     0    0.138   1.261    13.930    0.000    0.000
LGA    T   146_D      T   146_D    17.962     0    0.655   0.589    22.624    0.000    0.000
LGA    F   147_D      F   147_D    19.546     0    0.094   0.206    20.782    0.000    0.000
LGA    Y   148_D      Y   148_D    21.068     0    0.177   1.184    21.812    0.000    0.000
LGA    I   149_D      I   149_D    21.778     0    0.586   0.755    23.289    0.000    0.000
LGA    N   150_D      N   150_D    23.931     0    0.131   1.370    27.354    0.000    0.000
LGA    V   151_D      V   151_D    22.569     0    0.115   1.027    23.488    0.000    0.000
LGA    Y   152_D      Y   152_D    25.001     0    0.181   1.468    31.897    0.000    0.000
LGA    K   153_D      K   153_D    24.033     0    0.104   0.707    25.076    0.000    0.000
LGA    D   154_D      D   154_D    25.582     0    0.067   0.486    28.603    0.000    0.000
LGA    F   155_D      F   155_D    24.734     0    0.666   1.231    27.180    0.000    0.000
LGA    E   156_D      E   156_D    26.164     0    0.121   0.904    27.832    0.000    0.000
LGA    N   157_D      N   157_D    25.677     0    0.479   0.597    26.029    0.000    0.000
LGA    K   158_D      K   158_D    26.542     0    0.106   1.281    32.289    0.000    0.000
LGA    D   159_D      D   159_D    27.778     0    0.092   1.095    29.457    0.000    0.000
LGA    E   160_D      E   160_D    26.324     0    0.688   1.310    27.169    0.000    0.000
LGA    N   161_D      N   161_D    24.206     0    0.655   1.366    24.701    0.000    0.000
LGA    N   162_D      N   162_D    22.032     0    0.315   1.291    24.525    0.000    0.000
LGA    L   163_D      L   163_D    26.259     0    0.120   0.183    29.380    0.000    0.000
LGA    C   164_D      C   164_D    29.527     0    0.077   0.867    33.219    0.000    0.000
LGA    S   165_D      S   165_D    35.376     0    0.066   0.620    36.541    0.000    0.000
LGA    G   166_D      G   166_D    40.032     0    0.238   0.238    42.267    0.000    0.000
LGA    D   167_D      D   167_D    43.251     0    0.564   0.831    44.803    0.000    0.000
LGA    D   168_D      D   168_D    44.649     0    0.522   1.077    45.607    0.000    0.000
LGA    G   169_D      G   169_D    42.619     0    0.495   0.495    42.981    0.000    0.000
LGA    E   170_D      E   170_D    39.183     0    0.134   1.323    43.951    0.000    0.000
LGA    Y   171_D      Y   171_D    34.393     0    0.144   1.267    36.251    0.000    0.000
LGA    T   172_D      T   172_D    26.716     0    0.090   0.429    29.573    0.000    0.000
LGA    Y   173_D      Y   173_D    21.355     0    0.156   1.043    25.719    0.000    0.000
LGA    R   174_D      R   174_D    17.357     0    0.045   1.448    22.931    0.000    0.000
LGA    I   175_D      I   175_D    13.562     0    0.130   0.584    14.164    0.000    0.000
LGA    K   176_D      K   176_D    16.411     0    0.115   0.753    26.263    0.000    0.000
LGA    Y   177_D      Y   177_D    13.235     0    0.553   1.548    13.788    0.000    0.000
LGA    P   178_D      P   178_D    10.331     0    0.707   0.933    11.704    0.000    0.204
LGA    E   179_D      E   179_D    14.626     0    0.076   1.143    19.140    0.000    0.000
LGA    Q   180_D      Q   180_D    11.793     0    0.664   0.984    19.362    1.905    0.847
LGA    L   181_D      L   181_D     4.763     0    0.604   1.409     7.536   38.333   31.667
LGA    E   182_D      E   182_D     3.407     0    0.052   0.876     6.769   50.119   35.450
LGA    E   183_D      E   183_D     2.997     0    0.045   0.206     3.701   59.286   53.386
LGA    V   184_D      V   184_D     2.181     0    0.076   0.082     4.456   62.381   55.306
LGA    F   185_D      F   185_D     3.251     0    0.194   1.006     6.518   47.381   38.788
LGA    N   186_D      N   186_D     5.798     0    0.145   0.147     8.089   19.167   16.310
LGA    Y   187_D      Y   187_D     7.251     0    0.066   0.345    10.406    7.500    8.135
LGA    Y   188_D      Y   188_D     9.509     0    0.586   1.535    18.040    1.310    0.476
LGA    D   189_D      D   189_D    13.124     0    0.612   1.432    17.185    0.000    0.000
LGA    K   190_D      K   190_D    17.226     0    0.584   0.796    20.802    0.000    0.000
LGA    F   191_D      F   191_D    21.250     0    0.611   0.751    26.392    0.000    0.000
LGA    T   192_D      T   192_D    23.848     0    0.594   1.262    27.644    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      192     768    768  100.00    1575   1575  100.00               192
SUMMARY(RMSD_GDC):    18.148         18.162                 18.506           12.803   11.046

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  194  192    4.0     28    1.88    15.625    13.056     1.413

LGA_LOCAL      RMSD:   1.882  Number of atoms:   28  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.181  Number of assigned atoms:  192 
Std_ASGN_ATOMS RMSD:  18.148  Standard rmsd on all 192 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.300664 * X  +  -0.424443 * Y  +   0.854078 * Z  + -114.236992
  Y_new =   0.648811 * X  +  -0.747389 * Y  +  -0.143020 * Z  +  25.502104
  Z_new =   0.699032 * X  +   0.511134 * Y  +   0.500095 * Z  + -123.636292 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.004744 -0.774043  0.796314   [DEG:  114.8633  -44.3494   45.6254 ]
ZXZ:  1.404881  1.047087  0.939435   [DEG:   80.4937   59.9937   53.8256 ]
 
# END of job
