
#######################################################
#                                                     #
#                        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  132 ( 1136),  selected  124 , name one
# Molecule2: number of CA atoms  124 ( 1059),  selected  124 , 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:    62       2_D - 63_D        4.83    25.58
  LCS_AVERAGE:     41.04

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      94_D - 125_D       1.85    20.11
  LCS_AVERAGE:     18.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      95_D - 123_D       0.85    20.21
  LCS_AVERAGE:     14.35

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     D     2_D     D     2_D     21   25   62      4   12   20   22   27   34   40   42   45   48   52   55   58   59   60   60   60   61   61   61 
LCS_GDT     K     3_D     K     3_D     22   25   62      4   12   20   22   27   34   40   42   45   48   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     E     4_D     E     4_D     22   25   62     11   19   20   22   29   36   40   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     I     5_D     I     5_D     22   25   62     11   19   20   22   29   36   40   43   47   49   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     A     6_D     A     6_D     22   25   62     11   19   20   22   28   34   40   42   45   48   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     K     7_D     K     7_D     22   25   62     11   19   20   22   29   36   40   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     E     8_D     E     8_D     22   25   62     11   19   20   22   29   36   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     I     9_D     I     9_D     22   25   62     11   19   20   22   29   36   40   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     F    10_D     F    10_D     22   25   62     11   19   20   22   29   36   40   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     N    11_D     N    11_D     22   25   62     11   19   20   22   29   36   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     M    12_D     M    12_D     22   25   62     11   19   20   22   29   36   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     M    13_D     M    13_D     22   25   62     11   19   20   22   29   36   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     F    14_D     F    14_D     22   25   62      8   19   20   22   29   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     M    15_D     M    15_D     22   25   62     11   19   20   22   31   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     L    16_D     L    16_D     22   25   62      8   19   20   22   31   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     L    17_D     L    17_D     22   25   62      8   19   20   22   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     W    18_D     W    18_D     22   25   62      7   19   20   27   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     R    19_D     R    19_D     22   25   62     11   19   20   22   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     V    20_D     V    20_D     22   25   62      8   19   20   27   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     F    21_D     F    21_D     22   25   62      8   19   20   27   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     R    22_D     R    22_D     22   25   62      4   16   20   27   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     S    23_D     S    23_D     22   25   62      4    8   16   27   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     Q    24_D     Q    24_D     22   25   62      8   19   20   27   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     R    25_D     R    25_D      3   25   62      9   14   24   28   30   36   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     I    26_D     I    26_D      3   25   62      3    5    5    5    9   22   34   38   45   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     D    27_D     D    27_D      3    5   62      3    3    3    5   10   26   34   39   45   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     A    28_D     A    28_D      3   30   62      3    3    3    5    8   16   22   31   42   47   52   55   58   59   60   60   60   61   61   61 
LCS_GDT     N    29_D     N    29_D      3   30   62      3    3    3    5    8   11   25   35   40   47   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     N    30_D     N    30_D     22   30   62      9   15   19   27   31   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     V    31_D     V    31_D     22   30   62      9   15   22   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     E    32_D     E    32_D     23   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     L    33_D     L    33_D     24   30   62      9   18   24   28   31   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     I    34_D     I    34_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     K    35_D     K    35_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     F    36_D     F    36_D     24   30   62      9   18   24   28   31   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     N    37_D     N    37_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     I    38_D     I    38_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     R    39_D     R    39_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     V    40_D     V    40_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     L    41_D     L    41_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     D    42_D     D    42_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     W    43_D     W    43_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     I    44_D     I    44_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     M    45_D     M    45_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     A    46_D     A    46_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     E    47_D     E    47_D     24   30   62      9   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     A    48_D     A    48_D     24   30   62      8   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     D    49_D     D    49_D     24   30   62      8   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     N    50_D     N    50_D     24   30   62      7   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     D    51_D     D    51_D     24   30   62      8   18   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     L    52_D     L    52_D     24   30   62      7   16   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     C    53_D     C    53_D     24   30   62      7   13   24   28   32   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     Y    54_D     Y    54_D     24   30   62      7   14   24   28   32   37   40   43   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     F    55_D     F    55_D     24   30   62      7   16   24   28   32   37   40   43   45   49   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     I    56_D     I    56_D     24   30   62      6   18   24   28   32   37   40   43   45   50   53   56   58   58   60   60   60   61   61   61 
LCS_GDT     G    57_D     G    57_D     24   30   62      3    4   19   28   30   37   40   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     T    58_D     T    58_D      4   30   62      3    4   16   22   27   37   41   45   47   50   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     H    59_D     H    59_D      4    6   62      3    4    4    6    6    8   15   32   42   49   53   56   58   59   60   60   60   61   61   61 
LCS_GDT     D    60_D     D    60_D      4    6   62      3    4    4    4    7    9   14   19   31   40   49   53   57   59   60   60   60   61   61   61 
LCS_GDT     K    61_D     K    61_D      4    6   62      3    4    4    4    5   11   14   19   29   39   48   53   57   59   60   60   60   61   61   61 
LCS_GDT     C    62_D     C    62_D      4    6   62      3    4    4    4    5    7   10   12   15   16   25   32   40   44   48   52   59   61   61   61 
LCS_GDT     E    63_D     E    63_D      4    6   62      3    4    4    5    6    8    8   10   11   14   17   20   25   28   29   32   35   39   50   59 
LCS_GDT     N    64_D     N    64_D      4    6   19      3    4    4    5    6    7    9   11   14   15   19   22   27   35   43   46   47   49   49   50 
LCS_GDT     P    65_D     P    65_D      4    6   19      3    4    4    5    6    8    9   12   16   17   20   22   25   33   43   46   47   49   49   50 
LCS_GDT     K    66_D     K    66_D      4    6   19      3    4    4    5    6    6    8   10   12   19   24   29   34   41   43   46   47   49   49   50 
LCS_GDT     E    67_D     E    67_D      4    6   19      3    4    4    5    7    9   14   18   24   29   37   38   41   43   43   46   47   49   49   50 
LCS_GDT     Q    68_D     Q    68_D      4    6   19      3    4    4    6    6    8    8   12   17   22   27   36   41   43   43   46   47   49   49   50 
LCS_GDT     W    69_D     W    69_D      3    4   19      3    3    4    6    8    9   14   18   24   29   35   38   40   43   43   46   47   49   49   51 
LCS_GDT     V    70_D     V    70_D      3    7   19      3    3    5    8   10   12   18   24   30   35   37   38   41   43   43   46   47   49   49   51 
LCS_GDT     A    71_D     A    71_D      3    7   19      3    3    5    8   10   12   18   24   30   35   37   38   41   43   43   46   47   49   49   50 
LCS_GDT     N    72_D     N    72_D      5    7   19      3    5    5    6    7    9   15   19   27   35   37   38   41   43   43   46   47   49   49   50 
LCS_GDT     Y    73_D     Y    73_D      5    7   19      4    5    5    8   10   12   18   24   30   35   37   38   41   43   43   46   47   49   52   56 
LCS_GDT     Q    74_D     Q    74_D      5    7   19      4    5    5    6    9   11   15   22   30   35   37   38   41   43   43   46   47   49   49   51 
LCS_GDT     N    75_D     N    75_D      5    7   19      4    5    5    6    9   10   12   17   23   29   34   37   41   43   43   46   47   49   49   50 
LCS_GDT     L    76_D     L    76_D      5    7   19      4    5    5    6   10   12   15   23   30   35   37   38   41   43   43   46   47   49   52   56 
LCS_GDT     N    77_D     N    77_D      4    6   33      3    4    4    5    7    8   13   14   21   28   34   37   41   43   46   47   50   52   54   57 
LCS_GDT     N    78_D     N    78_D      4    6   35      4    4    4    6    8    9   12   14   16   17   23   32   41   42   46   47   48   51   54   57 
LCS_GDT     V    79_D     V    79_D      4    6   35      4    4    4    6    8    9   13   14   16   17   20   22   25   28   33   45   47   50   52   54 
LCS_GDT     V    80_D     V    80_D      4    6   46      4    4    4    6    8    9   13   14   17   26   36   38   41   42   46   47   50   52   54   57 
LCS_GDT     F    81_D     F    81_D      4    6   46      4    4    5    6    7   12   18   21   32   32   35   35   40   42   46   47   49   52   54   57 
LCS_GDT     T    82_D     T    82_D      4    6   46      3    4    5    7   13   15   18   21   32   33   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     N    83_D     N    83_D      4    5   46      3    4    5    7    9   15   19   28   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     K    84_D     K    84_D      4    5   46      3    4    5    7    9   15   26   30   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     E    85_D     E    85_D      3    5   46      2    3    3    3    4    7   12   18   25   33   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     L    86_D     L    86_D      4    6   46      1    3    4    5    6   11   13   18   21   24   27   35   41   42   46   47   50   52   54   57 
LCS_GDT     E    87_D     E    87_D      4    6   46      3    3    4    6    8   11   13   14   16   19   24   26   31   35   38   44   47   51   54   57 
LCS_GDT     D    88_D     D    88_D      4    6   46      3    3    4    6    8   11   13   14   18   21   24   29   34   40   46   47   50   52   54   57 
LCS_GDT     I    89_D     I    89_D      4    6   46      3    3    4    6    8   11   13   18   23   30   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     Y    90_D     Y    90_D      3    6   46      3    3    3    5    8   11   12   14   15   18   24   28   34   42   46   47   50   52   54   57 
LCS_GDT     D    91_D     D    91_D      4    6   46      3    4    4    4    6    8   12   13   15   18   23   28   31   35   37   43   48   52   54   57 
LCS_GDT     L    92_D     L    92_D      4    4   46      3    4    4    4    4    5    7   10   14   17   22   32   41   42   46   47   48   51   54   57 
LCS_GDT     S    93_D     S    93_D      4    4   46      3    4    4    4    4    6    7   11   14   17   24   33   41   42   46   47   50   52   54   57 
LCS_GDT     N    94_D     N    94_D      4   32   46      3    4    4    4    5   12   19   26   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     K    95_D     K    95_D     29   32   46      9   19   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     E    96_D     E    96_D     29   32   46      9   19   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   57   60 
LCS_GDT     E    97_D     E    97_D     29   32   46      9   19   29   29   30   30   31   31   32   34   37   38   41   42   46   47   52   56   59   60 
LCS_GDT     T    98_D     T    98_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     K    99_D     K    99_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     E   100_D     E   100_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   50   53   56   59   61 
LCS_GDT     V   101_D     V   101_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   50   53   57   59   61 
LCS_GDT     L   102_D     L   102_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     K   103_D     K   103_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     K   104_D     K   104_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   57   59 
LCS_GDT     F   105_D     F   105_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     K   106_D     K   106_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     E   107_D     E   107_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     K   108_D     K   108_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     V   109_D     V   109_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     N   110_D     N   110_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     Q   111_D     Q   111_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     F   112_D     F   112_D     29   32   46     16   24   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     Y   113_D     Y   113_D     29   32   46     16   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     R   114_D     R   114_D     29   32   46     10   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     H   115_D     H   115_D     29   32   46     12   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     A   116_D     A   116_D     29   32   46     12   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     F   117_D     F   117_D     29   32   46     12   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     D   118_D     D   118_D     29   32   46     12   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     I   119_D     I   119_D     29   32   46      7   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     I   120_D     I   120_D     29   32   46     10   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     N   121_D     N   121_D     29   32   46     10   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     K   122_D     K   122_D     29   32   46     12   25   29   29   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     Y   123_D     Y   123_D     29   32   46     10   25   29   29   30   30   31   31   32   34   37   38   40   42   46   47   50   52   54   57 
LCS_GDT     G   124_D     G   124_D     28   32   46      3    3    4   13   30   30   31   31   32   34   37   38   41   42   46   47   50   52   54   57 
LCS_GDT     L   125_D     L   125_D      3   32   46      3   19   22   28   30   30   31   31   32   34   37   38   40   42   46   47   50   52   54   57 
LCS_AVERAGE  LCS_A:  24.52  (  14.35   18.16   41.04 )

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     16     25     29     29     32     37     41     45     47     50     53     56     58     59     60     60     60     61     61     61 
GDT PERCENT_AT  12.90  20.16  23.39  23.39  25.81  29.84  33.06  36.29  37.90  40.32  42.74  45.16  46.77  47.58  48.39  48.39  48.39  49.19  49.19  49.19
GDT RMS_LOCAL    0.31   0.61   0.85   0.85   1.55   1.82   2.22   2.57   2.69   2.94   3.18   3.39   3.53   3.89   3.94   3.94   3.94   4.35   4.35   4.35
GDT RMS_ALL_AT  20.82  20.31  20.21  20.21  26.45  26.46  26.72  26.77  26.70  26.62  26.67  26.50  26.47  26.17  26.13  26.13  26.13  25.84  25.84  25.84

# Checking swapping
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  E     8_D      E     8_D
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  F    14_D      F    14_D
#   possible swapping detected:  D    27_D      D    27_D
#   possible swapping detected:  E    32_D      E    32_D
#   possible swapping detected:  D    42_D      D    42_D
#   possible swapping detected:  D    49_D      D    49_D
#   possible swapping detected:  D    51_D      D    51_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  E    67_D      E    67_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  E    87_D      E    87_D
#   possible swapping detected:  D    88_D      D    88_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E   100_D      E   100_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  Y   113_D      Y   113_D
#   possible swapping detected:  D   118_D      D   118_D
#   possible swapping detected:  Y   123_D      Y   123_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     6.997     0    0.656   1.116     8.456   14.286   13.750
LGA    K     3_D      K     3_D     6.196     0    0.498   1.066     9.351   24.762   14.868
LGA    E     4_D      E     4_D     4.912     0    0.060   0.976     6.296   30.119   28.201
LGA    I     5_D      I     5_D     5.734     0    0.033   0.073     7.259   22.619   18.036
LGA    A     6_D      A     6_D     6.451     0    0.031   0.030     7.209   19.286   17.429
LGA    K     7_D      K     7_D     4.601     0    0.034   0.717     5.227   37.738   37.460
LGA    E     8_D      E     8_D     3.060     0    0.055   1.039     5.561   50.119   47.037
LGA    I     9_D      I     9_D     4.758     0    0.036   0.137     6.766   35.714   27.024
LGA    F    10_D      F    10_D     4.157     0    0.066   0.117     6.054   45.357   33.896
LGA    N    11_D      N    11_D     2.083     0    0.024   0.960     3.053   64.881   63.036
LGA    M    12_D      M    12_D     2.591     0    0.041   0.898     3.822   59.048   56.786
LGA    M    13_D      M    13_D     3.210     0    0.050   1.118     9.000   57.381   39.286
LGA    F    14_D      F    14_D     1.602     0    0.077   1.109     2.963   75.119   68.701
LGA    M    15_D      M    15_D     1.533     0    0.047   0.959     4.115   75.000   63.631
LGA    L    16_D      L    16_D     1.711     0    0.054   1.432     5.798   77.143   61.905
LGA    L    17_D      L    17_D     1.262     0    0.048   0.186     3.406   81.429   72.262
LGA    W    18_D      W    18_D     1.786     0    0.052   0.535     7.878   69.048   39.150
LGA    R    19_D      R    19_D     2.742     0    0.102   1.437     6.436   57.262   41.429
LGA    V    20_D      V    20_D     1.344     0    0.291   1.157     3.593   72.976   69.932
LGA    F    21_D      F    21_D     1.990     0    0.032   0.702     3.687   68.810   63.117
LGA    R    22_D      R    22_D     2.490     0    0.088   0.856     8.670   62.857   35.801
LGA    S    23_D      S    23_D     1.855     0    0.304   0.702     2.635   70.833   70.317
LGA    Q    24_D      Q    24_D     1.864     0    0.566   0.906     4.129   70.833   65.291
LGA    R    25_D      R    25_D     3.428     0    0.630   1.152    12.967   45.357   18.831
LGA    I    26_D      I    26_D     6.268     0    0.572   0.519    10.691   22.143   12.083
LGA    D    27_D      D    27_D     6.191     0    0.706   0.547     9.058   21.548   14.286
LGA    A    28_D      A    28_D     7.407     0    0.699   0.650     8.954   14.405   12.095
LGA    N    29_D      N    29_D     6.225     0    0.730   0.701     8.657   22.976   15.476
LGA    N    30_D      N    30_D     1.668     0    0.642   0.552     4.289   71.429   61.131
LGA    V    31_D      V    31_D     2.532     0    0.053   0.989     6.202   62.976   49.116
LGA    E    32_D      E    32_D     2.989     0    0.063   1.307     6.785   60.952   43.598
LGA    L    33_D      L    33_D     1.969     0    0.038   0.926     2.529   75.000   72.024
LGA    I    34_D      I    34_D     1.141     0    0.035   0.708     3.117   81.429   71.310
LGA    K    35_D      K    35_D     3.008     0    0.023   0.640     5.259   53.690   43.333
LGA    F    36_D      F    36_D     3.625     0    0.040   0.523     4.548   48.333   40.693
LGA    N    37_D      N    37_D     2.031     0    0.098   0.790     5.777   73.095   55.655
LGA    I    38_D      I    38_D     1.712     0    0.113   0.172     2.443   75.000   70.893
LGA    R    39_D      R    39_D     2.949     0    0.039   0.951     6.651   59.048   42.035
LGA    V    40_D      V    40_D     2.396     0    0.068   0.065     3.681   68.810   60.816
LGA    L    41_D      L    41_D     0.713     0    0.035   1.344     5.144   90.476   70.655
LGA    D    42_D      D    42_D     1.605     0    0.044   0.334     3.276   79.286   69.226
LGA    W    43_D      W    43_D     1.882     0    0.040   0.878     3.539   72.857   62.857
LGA    I    44_D      I    44_D     1.468     0    0.045   0.145     2.592   81.429   73.155
LGA    M    45_D      M    45_D     1.174     0    0.048   1.418     3.853   85.952   74.702
LGA    A    46_D      A    46_D     1.208     0    0.031   0.033     1.994   85.952   83.333
LGA    E    47_D      E    47_D     1.754     0    0.050   1.429     8.781   72.976   43.915
LGA    A    48_D      A    48_D     2.269     0    0.057   0.060     2.829   64.881   64.857
LGA    D    49_D      D    49_D     1.674     0    0.065   0.217     2.386   72.857   70.893
LGA    N    50_D      N    50_D     1.920     0    0.031   0.171     2.830   65.000   66.905
LGA    D    51_D      D    51_D     3.425     0    0.037   1.034     7.409   48.452   36.250
LGA    L    52_D      L    52_D     3.450     0    0.034   0.126     3.798   48.333   48.333
LGA    C    53_D      C    53_D     3.090     0    0.033   0.706     3.857   46.667   49.127
LGA    Y    54_D      Y    54_D     4.519     0    0.057   1.448     5.886   30.595   30.040
LGA    F    55_D      F    55_D     5.718     0    0.493   1.523    13.661   25.000   10.606
LGA    I    56_D      I    56_D     5.645     0    0.569   0.556     7.642   27.857   20.357
LGA    G    57_D      G    57_D     4.226     0    0.514   0.514     4.862   45.833   45.833
LGA    T    58_D      T    58_D     3.090     0    0.236   1.058     7.074   44.167   36.531
LGA    H    59_D      H    59_D     6.173     0    0.067   0.151    13.516   13.929    6.048
LGA    D    60_D      D    60_D    10.547     0    0.416   1.261    13.435    1.786    0.893
LGA    K    61_D      K    61_D    12.227     0    0.223   0.850    14.490    0.000    2.169
LGA    C    62_D      C    62_D    17.368     0    0.533   0.747    19.537    0.000    0.000
LGA    E    63_D      E    63_D    20.147     0    0.598   1.293    21.250    0.000    0.000
LGA    N    64_D      N    64_D    20.449     0    0.169   0.786    22.468    0.000    0.000
LGA    P    65_D      P    65_D    22.822     0    0.420   0.405    25.803    0.000    0.000
LGA    K    66_D      K    66_D    23.377     0    0.059   0.589    27.496    0.000    0.000
LGA    E    67_D      E    67_D    29.247     0    0.675   0.960    30.973    0.000    0.000
LGA    Q    68_D      Q    68_D    31.129     0    0.617   0.633    33.918    0.000    0.000
LGA    W    69_D      W    69_D    28.560     0    0.233   1.043    31.102    0.000    0.000
LGA    V    70_D      V    70_D    34.429     0    0.627   0.610    38.235    0.000    0.000
LGA    A    71_D      A    71_D    37.049     0    0.129   0.131    39.842    0.000    0.000
LGA    N    72_D      N    72_D    37.609     0    0.414   0.353    39.959    0.000    0.000
LGA    Y    73_D      Y    73_D    35.256     0    0.231   1.399    37.519    0.000    0.000
LGA    Q    74_D      Q    74_D    41.444     0    0.179   1.065    44.720    0.000    0.000
LGA    N    75_D      N    75_D    43.780     0    0.594   0.475    45.882    0.000    0.000
LGA    L    76_D      L    76_D    39.191     0    0.072   1.013    40.862    0.000    0.000
LGA    N    77_D      N    77_D    42.746     0    0.137   1.036    48.613    0.000    0.000
LGA    N    78_D      N    78_D    42.712     0    0.222   0.236    46.803    0.000    0.000
LGA    V    79_D      V    79_D    38.354     0    0.061   1.008    39.736    0.000    0.000
LGA    V    80_D      V    80_D    37.106     0    0.658   0.651    39.981    0.000    0.000
LGA    F    81_D      F    81_D    39.729     0    0.555   0.557    42.704    0.000    0.000
LGA    T    82_D      T    82_D    45.955     0    0.586   0.465    47.093    0.000    0.000
LGA    N    83_D      N    83_D    46.784     0    0.273   0.848    49.821    0.000    0.000
LGA    K    84_D      K    84_D    50.246     0    0.573   0.470    56.835    0.000    0.000
LGA    E    85_D      E    85_D    46.698     0    0.624   0.584    50.496    0.000    0.000
LGA    L    86_D      L    86_D    40.881     0    0.634   1.167    42.869    0.000    0.000
LGA    E    87_D      E    87_D    44.078     0    0.595   1.124    48.139    0.000    0.000
LGA    D    88_D      D    88_D    43.723     0    0.416   0.417    48.801    0.000    0.000
LGA    I    89_D      I    89_D    36.984     0    0.205   1.388    39.594    0.000    0.000
LGA    Y    90_D      Y    90_D    35.071     0    0.655   0.472    42.770    0.000    0.000
LGA    D    91_D      D    91_D    39.742     0    0.692   1.217    40.788    0.000    0.000
LGA    L    92_D      L    92_D    40.833     0    0.065   1.374    45.481    0.000    0.000
LGA    S    93_D      S    93_D    34.146     0    0.629   0.793    36.549    0.000    0.000
LGA    N    94_D      N    94_D    32.296     0    0.166   1.183    36.104    0.000    0.000
LGA    K    95_D      K    95_D    31.743     0    0.626   1.041    36.198    0.000    0.000
LGA    E    96_D      E    96_D    28.802     0    0.039   0.990    34.403    0.000    0.000
LGA    E    97_D      E    97_D    22.127     0    0.067   0.917    24.400    0.000    0.000
LGA    T    98_D      T    98_D    25.219     0    0.050   1.134    27.713    0.000    0.000
LGA    K    99_D      K    99_D    30.244     0    0.032   0.814    39.640    0.000    0.000
LGA    E   100_D      E   100_D    26.203     0    0.015   1.352    27.218    0.000    0.000
LGA    V   101_D      V   101_D    21.655     0    0.060   0.919    23.531    0.000    0.000
LGA    L   102_D      L   102_D    27.534     0    0.058   0.307    31.378    0.000    0.000
LGA    K   103_D      K   103_D    31.363     0    0.062   0.888    38.404    0.000    0.000
LGA    K   104_D      K   104_D    26.295     0    0.044   0.525    27.703    0.000    0.000
LGA    F   105_D      F   105_D    25.352     0    0.051   1.413    27.849    0.000    0.000
LGA    K   106_D      K   106_D    32.363     0    0.046   0.636    43.798    0.000    0.000
LGA    E   107_D      E   107_D    33.537     0    0.035   1.047    35.264    0.000    0.000
LGA    K   108_D      K   108_D    28.295     0    0.027   1.178    29.656    0.000    0.000
LGA    V   109_D      V   109_D    29.796     0    0.013   0.043    32.847    0.000    0.000
LGA    N   110_D      N   110_D    36.998     0    0.024   0.043    40.637    0.000    0.000
LGA    Q   111_D      Q   111_D    35.465     0    0.040   1.199    35.465    0.000    0.000
LGA    F   112_D      F   112_D    30.876     0    0.083   1.440    33.258    0.000    0.000
LGA    Y   113_D      Y   113_D    36.364     0    0.050   1.622    40.959    0.000    0.000
LGA    R   114_D      R   114_D    41.650     0    0.042   0.989    45.537    0.000    0.000
LGA    H   115_D      H   115_D    38.065     0    0.064   1.096    39.299    0.000    0.000
LGA    A   116_D      A   116_D    36.171     0    0.041   0.038    39.446    0.000    0.000
LGA    F   117_D      F   117_D    42.935     0    0.087   1.380    46.691    0.000    0.000
LGA    D   118_D      D   118_D    46.130     0    0.074   0.180    49.142    0.000    0.000
LGA    I   119_D      I   119_D    42.744     0    0.060   1.396    45.018    0.000    0.000
LGA    I   120_D      I   120_D    44.380     0    0.036   1.599    48.624    0.000    0.000
LGA    N   121_D      N   121_D    51.466     0    0.044   0.989    54.735    0.000    0.000
LGA    K   122_D      K   122_D    52.644     0    0.028   0.696    54.178    0.000    0.000
LGA    Y   123_D      Y   123_D    49.210     0    0.719   0.988    49.868    0.000    0.000
LGA    G   124_D      G   124_D    49.469     0    0.557   0.557    50.040    0.000    0.000
LGA    L   125_D      L   125_D    50.035     0    0.046   0.072    52.357    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    14.897         14.952                 15.590           25.831   21.761

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     45    2.57    32.056    29.593     1.683

LGA_LOCAL      RMSD:   2.573  Number of atoms:   45  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.767  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  14.897  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.371423 * X  +   0.897444 * Y  +  -0.237991 * Z  +  -3.866365
  Y_new =  -0.909444 * X  +   0.403277 * Y  +   0.101388 * Z  + -48.234604
  Z_new =   0.186966 * X  +   0.178782 * Y  +   0.965961 * Z  +  83.482635 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.183064 -0.188073  0.183011   [DEG:  -67.7845  -10.7758   10.4857 ]
ZXZ: -1.973527  0.261663  0.807772   [DEG: -113.0748   14.9922   46.2819 ]
 
# END of job
