
#######################################################
#                                                     #
#                        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:    60      10_D - 69_D        4.99    24.19
  LCS_AVERAGE:     37.29

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      30_D - 55_D        1.94    23.46
  LCS_AVERAGE:     14.65

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18     106_D - 123_D       0.96    22.18
  LONGEST_CONTINUOUS_SEGMENT:    18     107_D - 124_D       0.99    22.15
  LCS_AVERAGE:      8.83

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     13   20   34      4    8   12   14   16   18   19   20   22   25   25   26   33   34   38   44   46   46   48   53 
LCS_GDT     K     3_D     K     3_D     13   20   34      7   11   13   17   19   21   23   24   24   25   25   29   33   34   42   44   46   50   54   60 
LCS_GDT     E     4_D     E     4_D     13   20   34      6   11   13   17   19   21   23   24   24   28   31   36   41   45   47   50   56   59   61   62 
LCS_GDT     I     5_D     I     5_D     13   20   34      7   11   13   17   19   21   23   24   24   25   29   34   41   43   47   49   56   59   61   62 
LCS_GDT     A     6_D     A     6_D     13   20   34      7   11   13   17   19   21   23   24   24   25   29   33   37   38   43   49   55   59   61   62 
LCS_GDT     K     7_D     K     7_D     13   20   52      7   11   13   17   19   21   23   24   24   28   34   38   42   47   51   55   57   59   61   62 
LCS_GDT     E     8_D     E     8_D     13   20   59      7   11   13   17   19   21   23   26   29   33   39   43   48   50   53   56   57   59   61   62 
LCS_GDT     I     9_D     I     9_D     13   20   59      7   11   13   17   19   21   23   24   24   28   34   41   45   50   53   56   57   59   61   62 
LCS_GDT     F    10_D     F    10_D     13   20   60      7   11   13   17   19   21   23   24   25   30   36   41   47   50   53   56   57   59   61   62 
LCS_GDT     N    11_D     N    11_D     13   20   60      5   11   13   16   19   21   24   28   33   38   44   47   52   53   56   56   57   59   61   62 
LCS_GDT     M    12_D     M    12_D     13   20   60      5   11   13   17   19   21   26   31   33   38   44   48   52   54   56   56   57   59   61   62 
LCS_GDT     M    13_D     M    13_D     13   20   60      5   11   13   17   19   21   23   27   33   38   44   48   52   54   56   56   57   59   61   62 
LCS_GDT     F    14_D     F    14_D     13   20   60      5   10   13   17   19   21   28   33   40   43   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     M    15_D     M    15_D     12   20   60      4   10   13   17   19   25   31   34   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     L    16_D     L    16_D     12   20   60      4   10   13   17   19   24   31   33   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     L    17_D     L    17_D     12   20   60      4   10   13   17   19   24   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     W    18_D     W    18_D     12   20   60      3   10   12   17   19   24   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     R    19_D     R    19_D     12   20   60      4   10   13   17   19   25   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     V    20_D     V    20_D     12   20   60      4    9   12   17   19   25   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     F    21_D     F    21_D     12   20   60      4    9   12   16   19   22   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     R    22_D     R    22_D     10   20   60      3    8   11   16   19   23   30   34   39   44   46   50   51   54   56   56   57   59   61   62 
LCS_GDT     S    23_D     S    23_D     10   20   60      3    8   11   17   19   25   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     Q    24_D     Q    24_D     10   20   60      3    8   12   17   19   25   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     R    25_D     R    25_D      9   20   60      3    4   11   16   19   24   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     I    26_D     I    26_D      4    5   60      3    5   15   20   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     D    27_D     D    27_D      4   17   60      3    3   11   21   25   28   31   31   34   39   46   49   52   54   56   56   57   59   61   62 
LCS_GDT     A    28_D     A    28_D      4   19   60      3    3    4    4    5    8   12   20   26   33   36   39   45   52   54   55   56   57   58   60 
LCS_GDT     N    29_D     N    29_D      3   24   60      3    3    3    4   15   28   31   31   40   42   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     N    30_D     N    30_D     14   26   60      8   12   15   20   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     V    31_D     V    31_D     14   26   60      8   12   15   18   22   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     E    32_D     E    32_D     14   26   60      8   12   15   18   23   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     L    33_D     L    33_D     14   26   60      8   12   15   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     I    34_D     I    34_D     14   26   60      8   12   15   20   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     K    35_D     K    35_D     14   26   60      8   12   15   20   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     F    36_D     F    36_D     14   26   60      8   12   15   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     N    37_D     N    37_D     14   26   60      8   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     I    38_D     I    38_D     14   26   60      4   12   15   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     R    39_D     R    39_D     14   26   60      6   12   15   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     V    40_D     V    40_D     16   26   60      4   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     L    41_D     L    41_D     16   26   60      7   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     D    42_D     D    42_D     16   26   60      7   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     W    43_D     W    43_D     16   26   60      7   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     I    44_D     I    44_D     16   26   60      7   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     M    45_D     M    45_D     16   26   60      7   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     A    46_D     A    46_D     16   26   60      7   12   16   20   24   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     E    47_D     E    47_D     16   26   60      7   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     A    48_D     A    48_D     16   26   60      7   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     D    49_D     D    49_D     16   26   60      7   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     N    50_D     N    50_D     16   26   60      6   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     D    51_D     D    51_D     16   26   60      6   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     L    52_D     L    52_D     16   26   60      5   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     C    53_D     C    53_D     16   26   60      5   11   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     Y    54_D     Y    54_D     16   26   60      7   12   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     F    55_D     F    55_D     16   26   60      4    6   16   21   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     I    56_D     I    56_D      4   25   60      3    3    8   15   20   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     G    57_D     G    57_D      3   22   60      3    3    3    5   12   16   24   33   40   43   45   50   52   54   56   56   57   59   61   62 
LCS_GDT     T    58_D     T    58_D      4   19   60      3    4    4   12   15   22   31   34   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     H    59_D     H    59_D      4    7   60      3    4    4    4    8    9   12   15   28   36   44   46   50   54   56   56   57   59   61   62 
LCS_GDT     D    60_D     D    60_D      5    7   60      3    5    5    8   15   20   31   35   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     K    61_D     K    61_D      5    7   60      3    5    5    6   10   19   28   34   39   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     C    62_D     C    62_D      5    7   60      3    5    5    6    8   14   25   34   37   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     E    63_D     E    63_D      5    7   60      3    5    5    5    6   10   12   14   17   22   32   41   46   52   56   56   57   59   60   62 
LCS_GDT     N    64_D     N    64_D      5    7   60      3    5    5    5    6    9   17   23   33   39   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     P    65_D     P    65_D      3    5   60      3    3    4    4    4   10   12   23   33   40   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     K    66_D     K    66_D      3    5   60      3   10   15   20   25   28   31   36   40   44   46   50   52   54   56   56   57   59   61   62 
LCS_GDT     E    67_D     E    67_D      3    5   60      3    7   14   17   22   25   31   36   39   44   46   50   51   54   56   56   56   57   58   60 
LCS_GDT     Q    68_D     Q    68_D      3    6   60      3    3   15   17   19   23   26   30   33   37   42   44   47   50   54   55   56   57   58   59 
LCS_GDT     W    69_D     W    69_D      6    9   60      4   11   15   17   19   23   26   32   34   40   42   46   49   50   54   55   56   57   58   59 
LCS_GDT     V    70_D     V    70_D      6    9   59      4    4    7   17   19   21   26   29   32   35   39   42   44   47   49   52   55   56   57   58 
LCS_GDT     A    71_D     A    71_D      6    9   56      4    4    7    8   10   14   17   19   25   27   31   37   41   47   49   50   54   56   57   58 
LCS_GDT     N    72_D     N    72_D      6    9   44      4    4    7    8   10   11   17   20   24   29   32   37   41   47   49   51   54   56   57   58 
LCS_GDT     Y    73_D     Y    73_D      6    9   19      3    4    7    8   10   11   12   15   16   24   26   31   37   42   45   49   51   56   57   57 
LCS_GDT     Q    74_D     Q    74_D      6    9   19      3    4    7    8   10   11   12   15   16   19   23   27   31   35   43   44   47   51   54   56 
LCS_GDT     N    75_D     N    75_D      5    9   19      3    3    7    8   10   11   12   15   16   18   21   23   25   31   34   40   43   48   52   54 
LCS_GDT     L    76_D     L    76_D      4    9   19      3    4    6    8    9   11   12   13   14   18   21   24   26   32   37   41   44   46   52   54 
LCS_GDT     N    77_D     N    77_D      4    9   19      3    4    6    6    7    8    9   11   14   15   17   19   24   30   37   41   44   45   49   53 
LCS_GDT     N    78_D     N    78_D      4    5   19      3    4    6    6    7   10   12   15   16   18   21   24   26   32   37   41   43   45   46   48 
LCS_GDT     V    79_D     V    79_D      4    5   19      3    4    6    6   10   11   12   15   16   18   21   24   26   32   37   41   44   45   46   48 
LCS_GDT     V    80_D     V    80_D      3    5   19      3    3    3    4    7   11   12   15   16   18   21   29   34   37   39   41   44   45   46   48 
LCS_GDT     F    81_D     F    81_D      4    4   19      3    4    5    5    6    6    8   12   16   22   29   33   36   38   39   41   44   45   46   48 
LCS_GDT     T    82_D     T    82_D      4    4   19      3    4    5    5    6    7    9   12   18   28   30   33   36   38   39   41   44   45   46   48 
LCS_GDT     N    83_D     N    83_D      4    4   23      3    4    5    5    6    7    9   13   22   28   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     K    84_D     K    84_D      4    4   25      3    4    5    5    6    7    9   13   22   28   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     E    85_D     E    85_D      3    4   25      3    3    3    3    4    7    8   12   16   20   27   32   36   38   39   41   44   45   46   48 
LCS_GDT     L    86_D     L    86_D      4    6   27      3    3    4    4    6    8    9   11   15   20   23   29   35   38   39   41   44   45   46   48 
LCS_GDT     E    87_D     E    87_D      4    6   27      3    3    4    5    6   11   11   13   16   18   19   22   24   27   30   33   37   42   44   46 
LCS_GDT     D    88_D     D    88_D      4    6   27      3    3    4    5    9   11   11   13   16   18   21   22   25   27   31   33   39   43   44   46 
LCS_GDT     I    89_D     I    89_D      4    6   31      3    3    4    5    9   11   11   15   18   21   26   29   35   38   39   39   44   45   46   47 
LCS_GDT     Y    90_D     Y    90_D      3    6   35      3    3    4    4    6    8   10   13   16   18   19   20   24   26   30   32   38   43   46   47 
LCS_GDT     D    91_D     D    91_D      4    6   35      3    4    4    4    6    8   10   13   15   18   19   20   24   26   30   32   38   40   45   47 
LCS_GDT     L    92_D     L    92_D      4    5   35      3    4    6    6    6    6    8    9   15   18   19   20   25   31   35   41   44   45   46   48 
LCS_GDT     S    93_D     S    93_D      4    5   35      3    4    6    6    6    6    8    9   12   15   17   20   24   26   32   41   44   45   46   48 
LCS_GDT     N    94_D     N    94_D      4    5   35      3    4    4    4    6    9   13   17   28   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     K    95_D     K    95_D      7   23   35      5    5    9   13   20   23   26   29   30   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     E    96_D     E    96_D      7   23   35      5    5    9   16   21   24   26   29   30   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     E    97_D     E    97_D     10   23   35      5    5    9   14   21   24   26   29   30   30   31   33   36   38   39   41   44   50   53   58 
LCS_GDT     T    98_D     T    98_D     15   23   35      5   12   15   18   21   24   26   29   30   30   31   33   36   38   39   41   44   45   48   53 
LCS_GDT     K    99_D     K    99_D     15   24   35      8   12   15   18   21   24   26   29   30   30   31   33   36   38   39   41   44   47   52   56 
LCS_GDT     E   100_D     E   100_D     15   24   35      8   12   15   18   21   24   26   29   30   30   31   33   36   38   39   41   45   49   54   56 
LCS_GDT     V   101_D     V   101_D     15   24   35      8   12   15   18   21   24   26   29   30   30   31   33   36   38   39   41   45   49   54   56 
LCS_GDT     L   102_D     L   102_D     15   24   35      6   12   15   19   22   24   26   29   30   30   31   33   36   38   39   41   44   47   52   56 
LCS_GDT     K   103_D     K   103_D     15   24   35      8   12   15   18   22   24   26   29   30   30   31   33   36   38   39   41   44   46   48   53 
LCS_GDT     K   104_D     K   104_D     15   24   35      8   12   15   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   50 
LCS_GDT     F   105_D     F   105_D     15   24   35      8   12   15   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   48   50 
LCS_GDT     K   106_D     K   106_D     18   24   35      8   12   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   50 
LCS_GDT     E   107_D     E   107_D     18   24   35      6   12   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   49 
LCS_GDT     K   108_D     K   108_D     18   24   35      8   13   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     V   109_D     V   109_D     18   24   35      6   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     N   110_D     N   110_D     18   24   35      5   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     Q   111_D     Q   111_D     18   24   35      5   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     F   112_D     F   112_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     Y   113_D     Y   113_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     R   114_D     R   114_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     H   115_D     H   115_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     A   116_D     A   116_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   47 
LCS_GDT     F   117_D     F   117_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   48 
LCS_GDT     D   118_D     D   118_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   47 
LCS_GDT     I   119_D     I   119_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   47 
LCS_GDT     I   120_D     I   120_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   47 
LCS_GDT     N   121_D     N   121_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   47 
LCS_GDT     K   122_D     K   122_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   41   44   45   46   47 
LCS_GDT     Y   123_D     Y   123_D     18   24   35     11   15   18   19   22   24   26   29   30   30   31   33   36   38   39   39   44   45   46   47 
LCS_GDT     G   124_D     G   124_D     18   24   35      3    4   16   19   21   23   26   28   30   30   31   33   36   38   39   39   44   45   46   47 
LCS_GDT     L   125_D     L   125_D      3   20   34      3    3    3    3    4    7   10   13   17   20   22   23   26   29   35   37   38   40   42   46 
LCS_AVERAGE  LCS_A:  20.26  (   8.83   14.65   37.29 )

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     11     15     18     21     25     28     31     36     40     44     46     50     52     54     56     56     57     59     61     62 
GDT PERCENT_AT   8.87  12.10  14.52  16.94  20.16  22.58  25.00  29.03  32.26  35.48  37.10  40.32  41.94  43.55  45.16  45.16  45.97  47.58  49.19  50.00
GDT RMS_LOCAL    0.32   0.53   0.96   1.47   1.73   1.92   2.14   2.69   3.06   3.26   3.47   3.70   4.04   4.14   4.35   4.35   4.64   4.99   5.55   5.60
GDT RMS_ALL_AT  22.26  22.23  22.18  23.07  23.45  23.44  23.52  23.73  23.90  23.99  23.89  23.97  23.98  24.08  24.07  24.07  24.03  24.02  23.89  23.90

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     8_D      E     8_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:  E    47_D      E    47_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  D    60_D      D    60_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  E    85_D      E    85_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:  F   117_D      F   117_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    23.037     0    0.614   1.087    26.411    0.000    0.000
LGA    K     3_D      K     3_D    21.489     0    0.076   1.852    25.692    0.000    0.000
LGA    E     4_D      E     4_D    21.431     0    0.033   1.150    27.372    0.000    0.000
LGA    I     5_D      I     5_D    19.918     0    0.035   0.082    22.783    0.000    0.000
LGA    A     6_D      A     6_D    17.860     0    0.036   0.045    18.802    0.000    0.000
LGA    K     7_D      K     7_D    17.146     0    0.046   1.095    23.902    0.000    0.000
LGA    E     8_D      E     8_D    16.025     0    0.073   0.936    21.253    0.000    0.000
LGA    I     9_D      I     9_D    14.676     0    0.025   0.659    17.860    0.000    0.000
LGA    F    10_D      F    10_D    13.083     0    0.070   1.535    18.683    0.000    0.000
LGA    N    11_D      N    11_D    11.664     0    0.023   0.984    12.536    0.119    0.119
LGA    M    12_D      M    12_D    10.427     0    0.049   0.276    12.431    1.548    0.774
LGA    M    13_D      M    13_D     9.131     0    0.030   0.974    13.658    5.595    2.857
LGA    F    14_D      F    14_D     6.885     0    0.095   1.061     7.881   17.024   14.502
LGA    M    15_D      M    15_D     5.416     0    0.053   1.032     6.307   27.976   30.119
LGA    L    16_D      L    16_D     5.486     0    0.050   0.155     8.633   29.048   19.940
LGA    L    17_D      L    17_D     3.964     0    0.085   1.013     4.559   43.690   43.690
LGA    W    18_D      W    18_D     3.043     0    0.048   1.501     7.620   48.333   43.333
LGA    R    19_D      R    19_D     3.730     0    0.059   1.238     8.542   43.452   26.623
LGA    V    20_D      V    20_D     3.108     0    0.087   1.085     5.541   50.000   50.408
LGA    F    21_D      F    21_D     3.586     0    0.059   0.941     5.037   41.905   37.403
LGA    R    22_D      R    22_D     5.094     0    0.123   1.933    14.822   29.048   13.420
LGA    S    23_D      S    23_D     3.705     0    0.263   0.649     4.820   41.786   40.317
LGA    Q    24_D      Q    24_D     3.209     0    0.572   1.143     4.438   46.786   47.090
LGA    R    25_D      R    25_D     4.525     0    0.559   0.692    10.524   43.810   17.879
LGA    I    26_D      I    26_D     2.790     0    0.128   1.284     6.565   50.476   39.464
LGA    D    27_D      D    27_D     6.372     0    0.268   1.147     9.440   17.143   12.202
LGA    A    28_D      A    28_D     8.966     0    0.614   0.587    11.122   11.786    9.429
LGA    N    29_D      N    29_D     5.499     0    0.108   0.148     6.959   38.571   28.036
LGA    N    30_D      N    30_D     2.418     0    0.617   0.778     5.125   63.095   50.357
LGA    V    31_D      V    31_D     2.833     0    0.049   0.183     4.079   57.143   51.293
LGA    E    32_D      E    32_D     3.245     0    0.043   1.021     6.338   53.571   39.788
LGA    L    33_D      L    33_D     2.031     0    0.052   1.063     2.300   68.810   74.107
LGA    I    34_D      I    34_D     1.105     0    0.014   1.140     3.368   81.429   70.536
LGA    K    35_D      K    35_D     2.049     0    0.061   1.113     3.432   66.786   60.688
LGA    F    36_D      F    36_D     2.599     0    0.054   0.290     3.771   62.857   52.857
LGA    N    37_D      N    37_D     1.814     0    0.153   1.149     4.683   72.857   66.786
LGA    I    38_D      I    38_D     1.795     0    0.049   1.358     3.071   72.857   67.024
LGA    R    39_D      R    39_D     1.707     0    0.126   1.265     5.444   70.833   57.446
LGA    V    40_D      V    40_D     1.743     0    0.034   1.062     4.074   72.857   66.599
LGA    L    41_D      L    41_D     2.028     0    0.067   0.866     3.135   66.786   63.988
LGA    D    42_D      D    42_D     3.137     0    0.072   1.056     3.823   55.357   56.429
LGA    W    43_D      W    43_D     1.869     0    0.055   0.943     8.040   75.119   41.667
LGA    I    44_D      I    44_D     0.960     0    0.030   1.479     5.017   83.690   71.786
LGA    M    45_D      M    45_D     2.942     0    0.064   1.345     8.760   59.048   42.619
LGA    A    46_D      A    46_D     3.069     0    0.052   0.054     3.775   59.167   56.000
LGA    E    47_D      E    47_D     1.312     0    0.049   0.697     3.545   83.690   69.206
LGA    A    48_D      A    48_D     1.824     0    0.084   0.083     2.706   75.238   71.619
LGA    D    49_D      D    49_D     1.787     0    0.045   0.147     4.454   81.667   62.679
LGA    N    50_D      N    50_D     1.682     0    0.028   0.836     4.324   73.214   59.286
LGA    D    51_D      D    51_D     3.457     0    0.088   0.274     4.429   50.476   44.583
LGA    L    52_D      L    52_D     2.911     0    0.089   0.255     5.754   60.952   48.214
LGA    C    53_D      C    53_D     1.479     0    0.075   0.111     2.046   70.952   71.587
LGA    Y    54_D      Y    54_D     3.252     0    0.088   1.505    12.701   50.119   24.881
LGA    F    55_D      F    55_D     3.433     0    0.551   1.572     4.221   50.000   55.887
LGA    I    56_D      I    56_D     4.862     0    0.487   0.712     5.815   30.119   28.214
LGA    G    57_D      G    57_D     7.424     0    0.315   0.315     7.424   15.476   15.476
LGA    T    58_D      T    58_D     6.852     0    0.579   1.361     8.763   10.952    9.592
LGA    H    59_D      H    59_D    10.179     0    0.094   1.065    16.379    1.429    0.571
LGA    D    60_D      D    60_D     6.238     0    0.534   1.440     7.813   13.690   11.488
LGA    K    61_D      K    61_D     6.740     0    0.423   1.137     8.484   12.143   12.857
LGA    C    62_D      C    62_D     5.717     0    0.051   0.841     5.969   23.810   27.460
LGA    E    63_D      E    63_D     7.800     0    0.591   1.217    11.282    6.429    3.069
LGA    N    64_D      N    64_D     6.450     0    0.174   0.840    10.486   24.405   14.048
LGA    P    65_D      P    65_D     5.583     0    0.699   0.569     7.884   21.786   16.395
LGA    K    66_D      K    66_D     2.852     0    0.517   1.404    12.128   54.048   31.323
LGA    E    67_D      E    67_D     3.681     0    0.171   1.288     8.433   38.333   24.974
LGA    Q    68_D      Q    68_D     8.366     0    0.607   1.152    15.853    9.048    4.021
LGA    W    69_D      W    69_D     7.530     0    0.539   1.309    10.750    3.690   17.211
LGA    V    70_D      V    70_D    12.808     0    0.628   0.962    14.176    0.000    0.000
LGA    A    71_D      A    71_D    17.324     0    0.233   0.259    18.049    0.000    0.000
LGA    N    72_D      N    72_D    14.174     0    0.140   1.059    16.032    0.000    0.000
LGA    Y    73_D      Y    73_D    16.721     0    0.129   1.370    22.077    0.000    0.000
LGA    Q    74_D      Q    74_D    23.174     0    0.105   1.386    26.252    0.000    0.000
LGA    N    75_D      N    75_D    24.004     0    0.493   0.884    24.348    0.000    0.000
LGA    L    76_D      L    76_D    23.732     0    0.650   0.773    26.976    0.000    0.000
LGA    N    77_D      N    77_D    28.378     0    0.083   1.072    32.480    0.000    0.000
LGA    N    78_D      N    78_D    34.153     0    0.521   0.472    37.967    0.000    0.000
LGA    V    79_D      V    79_D    31.349     0    0.129   0.997    33.401    0.000    0.000
LGA    V    80_D      V    80_D    33.640     0    0.587   1.357    36.608    0.000    0.000
LGA    F    81_D      F    81_D    37.084     0    0.544   0.542    41.321    0.000    0.000
LGA    T    82_D      T    82_D    43.505     0    0.671   0.573    44.727    0.000    0.000
LGA    N    83_D      N    83_D    45.602     0    0.295   0.879    50.861    0.000    0.000
LGA    K    84_D      K    84_D    47.269     0    0.603   1.031    52.480    0.000    0.000
LGA    E    85_D      E    85_D    43.413     0    0.521   0.835    46.058    0.000    0.000
LGA    L    86_D      L    86_D    38.802     0    0.636   1.031    40.472    0.000    0.000
LGA    E    87_D      E    87_D    42.401     0    0.585   1.305    46.498    0.000    0.000
LGA    D    88_D      D    88_D    42.057     0    0.343   1.084    47.323    0.000    0.000
LGA    I    89_D      I    89_D    35.356     0    0.223   1.591    38.044    0.000    0.000
LGA    Y    90_D      Y    90_D    35.030     0    0.555   1.337    39.960    0.000    0.000
LGA    D    91_D      D    91_D    38.888     0    0.565   1.229    40.581    0.000    0.000
LGA    L    92_D      L    92_D    38.945     0    0.057   1.132    45.328    0.000    0.000
LGA    S    93_D      S    93_D    32.379     0    0.455   0.748    34.798    0.000    0.000
LGA    N    94_D      N    94_D    30.244     0    0.256   1.026    34.000    0.000    0.000
LGA    K    95_D      K    95_D    29.714     0    0.603   0.817    32.587    0.000    0.000
LGA    E    96_D      E    96_D    26.539     0    0.018   1.265    28.102    0.000    0.000
LGA    E    97_D      E    97_D    19.897     0    0.050   0.693    22.288    0.000    0.000
LGA    T    98_D      T    98_D    22.632     0    0.119   0.181    24.697    0.000    0.000
LGA    K    99_D      K    99_D    27.938     0    0.024   1.341    36.801    0.000    0.000
LGA    E   100_D      E   100_D    25.709     0    0.026   1.075    26.324    0.000    0.000
LGA    V   101_D      V   101_D    22.215     0    0.057   0.875    24.310    0.000    0.000
LGA    L   102_D      L   102_D    27.273     0    0.029   1.408    30.408    0.000    0.000
LGA    K   103_D      K   103_D    32.399     0    0.038   1.071    39.386    0.000    0.000
LGA    K   104_D      K   104_D    29.206     0    0.055   0.771    29.861    0.000    0.000
LGA    F   105_D      F   105_D    26.906     0    0.052   1.365    29.652    0.000    0.000
LGA    K   106_D      K   106_D    33.685     0    0.037   0.811    42.067    0.000    0.000
LGA    E   107_D      E   107_D    36.737     0    0.036   1.431    42.581    0.000    0.000
LGA    K   108_D      K   108_D    31.630     0    0.032   0.638    32.892    0.000    0.000
LGA    V   109_D      V   109_D    31.641     0    0.024   0.094    34.228    0.000    0.000
LGA    N   110_D      N   110_D    38.946     0    0.057   0.738    42.699    0.000    0.000
LGA    Q   111_D      Q   111_D    38.655     0    0.042   0.726    39.010    0.000    0.000
LGA    F   112_D      F   112_D    32.620     0    0.041   1.474    34.422    0.000    0.000
LGA    Y   113_D      Y   113_D    35.518     0    0.033   0.388    37.607    0.000    0.000
LGA    R   114_D      R   114_D    41.663     0    0.039   1.271    47.196    0.000    0.000
LGA    H   115_D      H   115_D    38.240     0    0.032   0.250    38.945    0.000    0.000
LGA    A   116_D      A   116_D    33.293     0    0.031   0.054    35.005    0.000    0.000
LGA    F   117_D      F   117_D    38.442     0    0.067   0.203    41.043    0.000    0.000
LGA    D   118_D      D   118_D    43.096     0    0.036   0.112    47.006    0.000    0.000
LGA    I   119_D      I   119_D    38.345     0    0.022   0.180    39.426    0.000    0.000
LGA    I   120_D      I   120_D    37.198     0    0.050   1.597    40.178    0.000    0.000
LGA    N   121_D      N   121_D    44.550     0    0.032   1.112    48.013    0.000    0.000
LGA    K   122_D      K   122_D    46.186     0    0.049   0.600    50.839    0.000    0.000
LGA    Y   123_D      Y   123_D    40.985     0    0.652   0.509    45.590    0.000    0.000
LGA    G   124_D      G   124_D    36.100     0    0.473   0.473    37.784    0.000    0.000
LGA    L   125_D      L   125_D    35.869     0    0.120   1.302    36.738    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):    17.510         17.558                 18.146           20.903   17.679

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     36    2.69    25.806    24.001     1.290

LGA_LOCAL      RMSD:   2.690  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.730  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  17.510  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.540179 * X  +   0.747157 * Y  +  -0.387251 * Z  +  18.750496
  Y_new =   0.055404 * X  +  -0.427592 * Y  +  -0.902272 * Z  + -47.530647
  Z_new =  -0.839724 * X  +  -0.508844 * Y  +   0.189581 * Z  +  90.290550 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.039384  0.996775 -1.214157   [DEG:  174.1439   57.1110  -69.5660 ]
ZXZ: -0.405419  1.380061 -2.115591   [DEG:  -23.2288   79.0717 -121.2144 ]
 
# END of job
