
#######################################################
#                                                     #
#                        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  142 ( 1210),  selected  127 , name one
# Molecule2: number of CA atoms  127 ( 1099),  selected  127 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      79_C - 138_C       4.92    17.36
  LCS_AVERAGE:     39.56

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      80_C - 113_C       1.99    12.10
  LONGEST_CONTINUOUS_SEGMENT:    34      81_C - 114_C       1.79    12.14
  LCS_AVERAGE:     19.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      84_C - 110_C       0.99    12.19
  LCS_AVERAGE:     14.22

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     P     2_B     P     2_C     25   29   50      4    5   18   26   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     I     3_B     I     3_C     25   29   50      4   16   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     Q     4_B     Q     4_C     25   29   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E     5_B     E     5_C     25   29   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E     6_B     E     6_C     25   29   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     I     7_B     I     7_C     25   29   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     Q     8_B     Q     8_C     25   29   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     K     9_B     K     9_C     25   29   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     K    10_B     K    10_C     25   29   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     V    11_B     V    11_C     25   29   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     R    12_B     R    12_C     25   29   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    13_B     E    13_C     25   31   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     L    14_B     L    14_C     25   31   50     12   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     L    15_B     L    15_C     25   31   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    16_B     E    16_C     25   31   50     13   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     K    17_B     K    17_C     25   31   50      6   23   26   28   33   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     L    18_B     L    18_C     25   31   50     11   23   26   28   33   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     I    19_B     I    19_C     25   31   50     11   23   26   28   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    20_B     E    20_C     25   31   50     13   23   26   28   33   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     Y    21_B     Y    21_C     25   31   50     10   23   26   28   33   39   44   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     L    22_B     L    22_C     25   31   50     11   23   26   28   33   39   44   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    23_B     E    23_C     25   31   50     11   23   26   28   33   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    24_B     E    24_C     25   31   50      7   23   26   28   33   39   44   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     L    25_B     L    25_C     25   31   50      7   23   26   28   33   39   44   50   51   53   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     K    26_B     K    26_C     25   31   50     11   23   26   28   33   39   44   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    27_B     E    27_C     25   31   50      3    3    9   18   27   34   44   50   51   53   55   58   62   67   71   78   82   84   85   86 
LCS_GDT     K    34_B     K    34_C     19   31   50      9   16   18   22   33   39   44   50   51   53   56   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    35_B     E    35_C     19   31   50     11   17   18   22   33   39   44   50   51   53   56   65   70   74   78   79   82   84   85   87 
LCS_GDT     K    36_B     K    36_C     19   31   50     11   17   18   22   33   39   44   50   51   53   56   60   69   74   78   79   82   84   85   87 
LCS_GDT     L    37_B     L    37_C     19   31   50     11   17   18   22   33   39   44   50   51   53   56   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    38_B     E    38_C     19   31   50     11   17   18   22   33   39   44   50   51   53   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    39_B     E    39_C     19   31   50     11   17   18   22   33   39   44   50   51   53   56   64   70   74   78   79   82   84   85   87 
LCS_GDT     V    40_B     V    40_C     19   31   50     11   17   18   22   33   39   44   50   51   53   56   65   70   74   78   79   82   84   85   87 
LCS_GDT     I    41_B     I    41_C     19   31   50     11   17   18   22   33   39   44   50   51   53   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    42_B     E    42_C     19   31   50     11   17   18   22   33   39   44   50   51   53   56   65   70   74   78   79   82   84   85   87 
LCS_GDT     G    43_B     G    43_C     19   31   50     11   17   18   22   33   39   44   50   51   53   55   59   65   72   78   79   82   84   85   87 
LCS_GDT     L    44_B     L    44_C     19   31   50     11   17   18   22   33   39   44   50   51   53   56   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    45_B     E    45_C     19   31   50     11   17   18   22   33   39   44   50   51   53   56   65   70   74   78   79   82   84   85   87 
LCS_GDT     R    46_B     R    46_C     19   31   50      4   17   18   22   33   39   44   50   51   53   55   59   63   70   74   78   82   84   85   87 
LCS_GDT     L    47_B     L    47_C     19   31   50      4   17   18   22   33   39   44   50   51   53   55   59   63   69   74   78   82   84   85   87 
LCS_GDT     K    48_B     K    48_C     19   31   50     10   17   18   19   33   39   44   50   51   53   56   64   70   74   78   79   82   84   85   87 
LCS_GDT     E    49_B     E    49_C     19   31   50     10   17   18   22   33   39   44   50   51   53   55   59   62   67   70   78   82   84   85   86 
LCS_GDT     E    50_B     E    50_C     19   31   50      4   17   18   18   29   37   44   50   51   53   55   57   61   65   68   72   79   79   84   86 
LCS_GDT     V    51_B     V    51_C     19   30   50      4   17   18   18   22   37   44   50   51   53   55   58   62   67   71   78   82   84   85   86 
LCS_GDT     D    52_B     D    52_C     19   23   50      3    4    4   12   19   20   20   39   45   53   55   57   61   65   68   76   82   82   85   86 
LCS_GDT     Q    55_B     Q    55_C      3   20   50      0    3    3    4   14   19   20   38   47   51   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     L    56_B     L    56_C      3    3   50      0    3    3    7   10   14   21   24   33   45   50   58   69   70   74   79   82   84   85   87 
LCS_GDT     N    57_B     N    57_C      4    4   50      3    4    4    6   10   14   25   33   38   45   50   60   70   74   78   79   82   84   85   87 
LCS_GDT     M    58_B     M    58_C      4    4   50      3    4    4    4    4    5   25   30   32   40   47   57   69   74   78   79   82   84   85   87 
LCS_GDT     N    59_B     N    59_C      4    4   50      3    4    4   14   16   19   25   27   34   39   41   46   54   58   64   75   79   82   84   87 
LCS_GDT     L    60_B     L    60_C      4    4   43      3    4    5    6    7   10   13   14   18   25   31   39   49   53   61   69   75   81   84   87 
LCS_GDT     I    61_B     I    61_C      3    3   18      3    3    5    5    7   10   12   18   26   34   37   45   53   58   64   70   76   81   84   87 
LCS_GDT     V    62_B     V    62_C      3   13   18      3    4    4    5    5   11   13   14   14   16   21   26   28   31   39   47   55   65   73   80 
LCS_GDT     F    63_B     F    63_C     10   13   18      3    5   10   11   11   12   13   14   14   14   14   17   19   20   22   26   30   33   41   44 
LCS_GDT     E    64_B     E    64_C     10   13   18      4    8   10   11   11   12   13   14   14   14   15   17   19   20   22   25   27   30   35   38 
LCS_GDT     G    65_B     G    65_C     10   13   18      4    8   10   11   11   12   13   14   14   14   15   17   19   20   22   25   27   31   35   45 
LCS_GDT     L    66_B     L    66_C     10   13   18      4    8   10   11   11   12   13   14   14   14   15   15   18   18   21   27   30   45   49   53 
LCS_GDT     E    67_B     E    67_C     10   13   18      4    8   10   11   11   12   13   14   14   14   21   23   25   27   32   45   51   55   61   67 
LCS_GDT     V    68_B     V    68_C     10   13   18      4    8   10   11   11   12   13   14   14   14   21   23   30   38   45   49   52   58   64   69 
LCS_GDT     D    69_B     D    69_C     10   13   18      4    8   10   11   11   12   13   14   14   17   20   34   40   44   48   54   58   64   70   75 
LCS_GDT     E    70_B     E    70_C     10   13   18      4    8   10   11   11   12   13   14   14   17   20   24   26   29   47   52   58   64   70   76 
LCS_GDT     E    71_B     E    71_C     10   13   18      4    8   10   11   11   12   13   14   14   14   17   20   23   23   38   40   45   52   58   71 
LCS_GDT     G    72_B     G    72_C     10   13   18      4    6   10   11   11   12   13   14   14   14   15   15   18   18   20   22   31   37   44   55 
LCS_GDT     R    73_B     R    73_C      4   13   42      3    4    5   11   11   12   13   14   14   14   15   15   18   29   32   34   39   48   60   66 
LCS_GDT     V    74_B     V    74_C      4   13   43      0    3    5    6    9   12   13   14   14   14   15   15   25   29   38   42   51   61   73   78 
LCS_GDT     W    75_B     W    75_C      3   13   43      3    3    3    7    9   11   13   14   14   15   19   24   34   43   47   52   62   69   74   80 
LCS_GDT     F    76_B     F    76_C      3    3   43      3    3    5    5    5    7    8   11   15   18   21   30   38   45   51   62   66   72   82   86 
LCS_GDT     I    77_B     I    77_C      3    3   43      3    3    5    6    7   10   13   14   18   22   29   43   45   55   64   69   76   81   84   87 
LCS_GDT     V    78_B     V    78_C      3    4   43      3    3    5    5    7   10   13   15   36   37   42   48   53   58   64   70   77   82   84   87 
LCS_GDT     K    79_B     K    79_C      3    4   58      3    3    3    6    7   10   13   20   27   37   42   48   53   58   64   70   77   82   84   87 
LCS_GDT     E    80_B     E    80_C      3   34   58      3    3    5    7   10   14   25   33   36   40   43   53   61   72   78   79   81   84   85   87 
LCS_GDT     M    81_B     M    81_C      3   34   58      3    3    3    7   10   14   21   34   36   38   43   50   59   70   78   79   81   84   85   87 
LCS_GDT     L    82_B     L    82_C      3   34   58      3    4    5    8   25   31   34   36   39   43   50   57   69   74   78   79   81   84   85   87 
LCS_GDT     H    83_B     H    83_C      8   34   58      3    6   19   26   31   32   34   35   42   53   56   65   70   74   78   79   82   84   85   87 
LCS_GDT     A    84_B     A    84_C     27   34   58      3   20   28   30   31   32   34   42   49   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     T    85_B     T    85_C     27   34   58      6   19   28   30   31   32   34   36   39   47   52   64   70   74   78   79   82   84   85   87 
LCS_GDT     T    86_B     T    86_C     27   34   58      6   20   28   30   31   32   35   45   49   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    87_B     E    87_C     27   34   58      6   18   28   30   31   32   43   46   51   54   55   58   63   69   78   79   82   84   85   87 
LCS_GDT     E    88_B     E    88_C     27   34   58      6    7   19   30   31   38   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    89_B     E    89_C     27   34   58      6   14   28   30   31   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     A    90_B     A    90_C     27   34   58      6    7   28   30   31   35   44   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     L    91_B     L    91_C     27   34   58      8   20   28   30   33   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    92_B     E    92_C     27   34   58      4   23   28   30   34   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     N    93_B     N    93_C     27   34   58      7   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     M    94_B     M    94_C     27   34   58     15   20   28   30   33   39   45   50   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     D    95_B     D    95_C     27   34   58      4   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     K    96_B     K    96_C     27   34   58     15   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     F    97_B     F    97_C     27   34   58     15   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     L    98_B     L    98_C     27   34   58     15   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E    99_B     E    99_C     27   34   58     15   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     S   100_B     S   100_C     27   34   58     15   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     W   101_B     W   101_C     27   34   58     15   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E   102_B     E   102_C     27   34   58     15   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     K   103_B     K   103_C     27   34   58     15   20   28   30   31   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     V   104_B     V   104_C     27   34   58     15   19   28   30   31   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     F   105_B     F   105_C     27   34   58     15   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     K   106_B     K   106_C     27   34   58     15   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E   107_B     E   107_C     27   34   58     15   20   28   30   31   38   45   49   51   54   56   64   70   74   78   79   82   84   85   87 
LCS_GDT     L   108_B     L   108_C     27   34   58     15   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     L   109_B     L   109_C     27   34   58     15   20   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E   110_B     E   110_C     27   34   58      7   19   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     Y   111_B     Y   111_C     24   34   58      7   19   28   30   34   39   45   49   51   54   57   64   70   74   78   79   82   84   85   87 
LCS_GDT     H   112_B     H   112_C     24   34   58      6   16   26   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     F   113_B     F   113_C     24   34   58      6   16   28   30   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     E   114_B     E   114_C     21   34   58      4    8   16   24   34   39   45   49   51   54   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     H   115_B     H   115_C      3    4   58      3    3    4    5    8   27   34   38   45   52   57   65   70   74   78   79   82   84   85   87 
LCS_GDT     N   116_B     N   116_C      3   20   58      4    8   15   26   29   32   36   44   48   51   56   65   70   74   78   79   82   84   85   87 
LCS_GDT     S   119_B     S   119_C      3   20   58      3    3    3    4    8   15   19   28   51   51   54   56   59   62   65   66   70   73   75   79 
LCS_GDT     P   120_B     P   120_C     16   20   58      8   14   17   21   22   26   29   34   41   48   51   55   59   60   65   66   67   69   71   73 
LCS_GDT     T   121_B     T   121_C     16   20   58     13   15   18   21   22   26   29   35   41   46   49   55   59   60   65   66   67   69   71   74 
LCS_GDT     F   122_B     F   122_C     16   20   58     13   15   18   21   22   37   44   50   51   53   55   58   60   63   67   70   76   82   84   86 
LCS_GDT     D   123_B     D   123_C     16   20   58     13   15   18   21   22   26   29   35   41   48   51   55   59   60   65   66   67   69   71   75 
LCS_GDT     F   124_B     F   124_C     16   20   58     13   15   18   21   22   26   29   35   41   48   51   55   57   59   60   62   64   66   69   70 
LCS_GDT     F   125_B     F   125_C     16   20   58     13   15   18   21   22   26   29   35   41   48   53   55   59   60   65   66   67   69   71   76 
LCS_GDT     L   126_B     L   126_C     16   20   58     13   15   18   21   22   26   29   35   41   50   53   56   59   60   65   66   67   69   72   79 
LCS_GDT     D   127_B     D   127_C     16   20   58     13   15   18   21   22   26   29   35   41   46   49   51   52   58   60   62   64   66   69   70 
LCS_GDT     F   128_B     F   128_C     16   20   58     13   15   18   21   22   26   29   35   41   46   49   51   52   57   60   62   64   66   69   70 
LCS_GDT     L   129_B     L   129_C     16   20   58     13   15   18   21   22   26   29   35   41   48   51   55   57   60   65   66   67   69   72   75 
LCS_GDT     W   130_B     W   130_C     16   20   58     13   15   18   21   22   26   29   34   41   46   49   51   52   57   60   62   63   66   69   70 
LCS_GDT     W   131_B     W   131_C     16   20   58     13   15   17   21   22   26   29   35   41   46   49   51   51   52   54   62   63   63   63   64 
LCS_GDT     Q   132_B     Q   132_C     16   20   58     13   15   18   21   22   26   29   35   41   46   49   51   51   52   60   62   63   63   63   67 
LCS_GDT     L   133_B     L   133_C     16   20   58     13   15   18   21   22   26   29   34   41   46   49   51   52   57   60   62   63   64   69   70 
LCS_GDT     Y   134_B     Y   134_C     16   20   58      8   15   18   21   22   26   29   34   41   46   49   51   51   52   54   56   57   60   62   63 
LCS_GDT     G   135_B     G   135_C     16   20   58      4   10   18   21   22   26   29   35   41   46   49   51   51   52   54   56   57   59   59   61 
LCS_GDT     E   136_B     E   136_C     16   20   58      4    7   15   21   22   26   29   34   41   46   49   51   51   52   54   56   57   59   59   60 
LCS_GDT     P   137_B     P   137_C      6   20   58      3    5    6    9   15   24   26   32   38   46   49   51   51   52   54   55   56   59   59   60 
LCS_GDT     M   138_B     M   138_C      6   19   58      3    4    6   13   20   26   29   35   41   46   49   51   51   52   54   56   57   59   59   60 
LCS_AVERAGE  LCS_A:  24.57  (  14.22   19.93   39.56 )

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     15     23     28     30     34     39     45     50     51     54     57     65     70     74     78     79     82     84     85     87 
GDT PERCENT_AT  11.81  18.11  22.05  23.62  26.77  30.71  35.43  39.37  40.16  42.52  44.88  51.18  55.12  58.27  61.42  62.20  64.57  66.14  66.93  68.50
GDT RMS_LOCAL    0.30   0.57   1.07   1.15   1.73   1.92   2.20   2.66   2.52   2.84   3.30   4.06   4.30   4.56   4.85   4.90   5.06   5.22   5.29   5.74
GDT RMS_ALL_AT  12.25  14.28  12.19  12.19  13.62  13.53  13.49  15.81  13.39  13.24  13.12  12.99  12.95  12.80  12.67  12.68  13.07  12.84  12.88  12.44

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    24_B      E    24_C
#   possible swapping detected:  E    35_B      E    35_C
#   possible swapping detected:  E    38_B      E    38_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    45_B      E    45_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  D    69_B      D    69_C
#   possible swapping detected:  E    70_B      E    70_C
#   possible swapping detected:  F    76_B      F    76_C
#   possible swapping detected:  E    80_B      E    80_C
#   possible swapping detected:  E    89_B      E    89_C
#   possible swapping detected:  F    97_B      F    97_C
#   possible swapping detected:  E    99_B      E    99_C
#   possible swapping detected:  E   114_B      E   114_C
#   possible swapping detected:  D   127_B      D   127_C
#   possible swapping detected:  F   128_B      F   128_C
#   possible swapping detected:  Y   134_B      Y   134_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     6.797     0    0.582   0.562    10.655   17.738   10.408
LGA    I     3_B      I     3_C     3.556     0    0.046   0.560     4.709   49.167   53.571
LGA    Q     4_B      Q     4_C     3.454     0    0.036   1.301     7.047   48.333   38.466
LGA    E     5_B      E     5_C     4.085     0    0.022   0.109     6.339   45.119   33.122
LGA    E     6_B      E     6_C     2.686     0    0.014   1.031     3.712   61.190   57.460
LGA    I     7_B      I     7_C     1.815     0    0.026   0.084     2.095   68.810   70.833
LGA    Q     8_B      Q     8_C     2.768     0    0.024   1.078     3.884   57.143   51.693
LGA    K     9_B      K     9_C     2.610     0    0.023   1.306    10.966   62.976   39.259
LGA    K    10_B      K    10_C     1.082     0    0.039   1.030     4.914   81.548   71.429
LGA    V    11_B      V    11_C     1.679     0    0.067   0.087     2.361   75.000   70.612
LGA    R    12_B      R    12_C     2.348     0    0.122   1.151     5.654   68.810   47.489
LGA    E    13_B      E    13_C     1.303     0    0.108   0.251     1.686   79.286   79.524
LGA    L    14_B      L    14_C     1.797     0    0.043   1.389     5.705   72.857   59.762
LGA    L    15_B      L    15_C     1.757     0    0.044   1.418     4.520   72.857   66.667
LGA    E    16_B      E    16_C     1.800     0    0.072   0.207     2.763   77.143   70.317
LGA    K    17_B      K    17_C     1.227     0    0.054   0.122     1.687   77.143   82.540
LGA    L    18_B      L    18_C     2.274     0    0.075   1.373     6.022   66.786   58.036
LGA    I    19_B      I    19_C     1.732     0    0.017   0.707     3.951   72.857   70.238
LGA    E    20_B      E    20_C     1.535     0    0.053   0.247     1.654   72.857   78.624
LGA    Y    21_B      Y    21_C     2.025     0    0.059   0.832     6.059   66.786   52.341
LGA    L    22_B      L    22_C     2.411     0    0.033   1.387     5.857   64.762   55.714
LGA    E    23_B      E    23_C     1.399     0    0.025   0.223     2.122   79.286   75.767
LGA    E    24_B      E    24_C     2.188     0    0.066   1.136     7.386   64.881   44.497
LGA    L    25_B      L    25_C     3.006     0    0.143   1.397     7.696   57.262   43.631
LGA    K    26_B      K    26_C     2.103     0    0.614   0.933     4.282   66.786   62.751
LGA    E    27_B      E    27_C     3.708     0    0.604   0.494     7.391   41.905   28.730
LGA    K    34_B      K    34_C     2.041     0    0.237   0.922     3.802   68.929   62.646
LGA    E    35_B      E    35_C     2.794     0    0.037   1.202     7.229   57.143   39.365
LGA    K    36_B      K    36_C     2.799     0    0.014   0.971     5.891   57.143   46.138
LGA    L    37_B      L    37_C     2.462     0    0.023   0.093     2.630   59.048   61.905
LGA    E    38_B      E    38_C     2.656     0    0.051   1.173     3.086   57.143   60.794
LGA    E    39_B      E    39_C     2.768     0    0.016   0.797     5.352   57.143   48.624
LGA    V    40_B      V    40_C     2.764     0    0.020   0.052     2.764   57.143   57.143
LGA    I    41_B      I    41_C     2.605     0    0.040   0.096     2.644   57.143   59.048
LGA    E    42_B      E    42_C     2.503     0    0.075   0.819     2.716   57.143   59.683
LGA    G    43_B      G    43_C     2.826     0    0.028   0.028     2.829   57.143   57.143
LGA    L    44_B      L    44_C     2.727     0    0.094   1.349     6.198   57.143   52.202
LGA    E    45_B      E    45_C     3.026     0    0.072   0.977     4.684   57.262   51.958
LGA    R    46_B      R    46_C     2.013     0    0.074   1.356     8.065   66.786   50.779
LGA    L    47_B      L    47_C     2.545     0    0.077   0.972     2.998   59.048   63.095
LGA    K    48_B      K    48_C     2.921     0    0.099   0.793     5.356   57.143   47.725
LGA    E    49_B      E    49_C     2.947     0    0.200   0.655     3.032   55.357   62.434
LGA    E    50_B      E    50_C     3.582     0    0.194   0.901     7.083   46.667   35.767
LGA    V    51_B      V    51_C     3.667     0    0.116   0.147     4.194   40.238   40.680
LGA    D    52_B      D    52_C     5.595     0    0.170   0.277     7.670   26.310   18.690
LGA    Q    55_B      Q    55_C     7.884     0    0.594   1.028    15.403    6.548    2.963
LGA    L    56_B      L    56_C    13.305     0    0.599   1.432    18.794    0.000    0.000
LGA    N    57_B      N    57_C    14.259     0    0.615   0.748    17.425    0.000    0.000
LGA    M    58_B      M    58_C    14.927     0    0.026   1.199    17.380    0.000    0.060
LGA    N    59_B      N    59_C    20.835     0    0.583   1.528    25.834    0.000    0.000
LGA    L    60_B      L    60_C    22.614     0    0.615   0.564    25.001    0.000    0.000
LGA    I    61_B      I    61_C    23.425     0    0.596   0.657    24.195    0.000    0.000
LGA    V    62_B      V    62_C    25.619     0    0.651   1.263    29.969    0.000    0.000
LGA    F    63_B      F    63_C    32.445     0    0.649   0.599    34.595    0.000    0.000
LGA    E    64_B      E    64_C    36.796     0    0.053   1.295    42.495    0.000    0.000
LGA    G    65_B      G    65_C    36.391     0    0.165   0.165    36.391    0.000    0.000
LGA    L    66_B      L    66_C    35.101     0    0.086   0.915    38.469    0.000    0.000
LGA    E    67_B      E    67_C    37.755     0    0.113   0.914    42.751    0.000    0.000
LGA    V    68_B      V    68_C    37.357     0    0.026   0.124    39.928    0.000    0.000
LGA    D    69_B      D    69_C    37.119     0    0.480   1.145    39.859    0.000    0.000
LGA    E    70_B      E    70_C    39.354     0    0.249   1.203    40.568    0.000    0.000
LGA    E    71_B      E    71_C    35.764     0    0.167   0.961    36.470    0.000    0.000
LGA    G    72_B      G    72_C    35.529     0    0.210   0.210    35.552    0.000    0.000
LGA    R    73_B      R    73_C    28.867     0    0.608   0.880    31.239    0.000    0.000
LGA    V    74_B      V    74_C    27.871     0    0.594   0.883    28.112    0.000    0.000
LGA    W    75_B      W    75_C    28.838     0    0.579   1.292    35.759    0.000    0.000
LGA    F    76_B      F    76_C    23.956     0    0.587   1.360    25.341    0.000    0.000
LGA    I    77_B      I    77_C    22.341     0    0.614   0.745    22.909    0.000    0.000
LGA    V    78_B      V    78_C    22.689     0    0.625   0.671    24.875    0.000    0.000
LGA    K    79_B      K    79_C    23.783     0    0.114   0.678    25.031    0.000    0.000
LGA    E    80_B      E    80_C    17.803     0    0.573   1.450    19.483    0.000    0.000
LGA    M    81_B      M    81_C    15.643     0    0.628   0.917    17.016    0.000    0.000
LGA    L    82_B      L    82_C    16.693     0    0.564   1.333    21.774    0.000    0.000
LGA    H    83_B      H    83_C    13.810     0    0.594   1.478    14.861    0.000    0.000
LGA    A    84_B      A    84_C     9.089     0    0.018   0.022    10.471    0.476    2.381
LGA    T    85_B      T    85_C    11.041     0    0.093   1.195    14.665    0.119    0.068
LGA    T    86_B      T    86_C     6.891     0    0.024   0.930     7.856   14.762   22.109
LGA    E    87_B      E    87_C     6.221     0    0.282   1.345    12.468   22.857   11.746
LGA    E    88_B      E    88_C     3.380     0    0.055   1.170     4.409   50.119   46.402
LGA    E    89_B      E    89_C     3.383     0    0.176   1.016     9.983   50.476   29.206
LGA    A    90_B      A    90_C     3.671     0    0.587   0.595     5.965   41.310   39.333
LGA    L    91_B      L    91_C     1.207     0    0.587   0.687     3.410   75.357   68.393
LGA    E    92_B      E    92_C     3.503     0    0.574   1.026     7.040   41.190   33.122
LGA    N    93_B      N    93_C     5.435     0    0.020   0.901     7.169   26.667   22.083
LGA    M    94_B      M    94_C     2.874     0    0.093   0.995     3.957   48.452   58.274
LGA    D    95_B      D    95_C     5.894     0    0.103   0.270     7.970   18.929   17.619
LGA    K    96_B      K    96_C     9.930     0    0.056   1.258    17.195    1.429    0.635
LGA    F    97_B      F    97_C     8.412     0    0.015   1.422     8.588    4.881    6.017
LGA    L    98_B      L    98_C     5.601     0    0.050   1.428     7.983   13.214   29.524
LGA    E    99_B      E    99_C    10.697     0    0.065   1.019    14.654    0.714    0.317
LGA    S   100_B      S   100_C    13.268     0    0.071   0.713    13.958    0.000    0.000
LGA    W   101_B      W   101_C     9.738     0    0.011   1.299    10.666    0.238    6.497
LGA    E   102_B      E   102_C     9.693     0    0.013   0.858    11.997    0.476    0.317
LGA    K   103_B      K   103_C    15.090     0    0.041   0.574    23.662    0.000    0.000
LGA    V   104_B      V   104_C    15.116     0    0.029   0.050    16.506    0.000    0.000
LGA    F   105_B      F   105_C    10.687     0    0.071   0.724    11.992    0.000   13.030
LGA    K   106_B      K   106_C    14.090     0    0.022   0.606    19.962    0.000    0.000
LGA    E   107_B      E   107_C    18.269     0    0.034   0.519    22.591    0.000    0.000
LGA    L   108_B      L   108_C    15.623     0    0.000   1.366    16.177    0.000    0.000
LGA    L   109_B      L   109_C    12.910     0    0.027   0.137    14.382    0.000    0.119
LGA    E   110_B      E   110_C    17.120     0    0.059   0.182    19.920    0.000    0.000
LGA    Y   111_B      Y   111_C    19.238     0    0.045   0.056    24.892    0.000    0.000
LGA    H   112_B      H   112_C    15.741     0    0.017   0.164    16.676    0.000    0.000
LGA    F   113_B      F   113_C    14.714     0    0.540   0.779    15.859    0.000    0.000
LGA    E   114_B      E   114_C    18.227     0    0.541   1.160    24.603    0.000    0.000
LGA    H   115_B      H   115_C    13.089     0    0.362   1.371    14.787    0.000    0.000
LGA    N   116_B      N   116_C     8.237     0    0.469   1.206    12.338    7.976    4.345
LGA    S   119_B      S   119_C     5.889     0    0.600   0.964     6.987   16.310   25.397
LGA    P   120_B      P   120_C     9.621     0    0.231   0.500    11.844    2.262    1.701
LGA    T   121_B      T   121_C     8.481     0    0.095   0.090     9.927    6.667    4.626
LGA    F   122_B      F   122_C     3.644     0    0.044   1.047     7.121   30.476   32.641
LGA    D   123_B      D   123_C     9.122     0    0.073   0.102    12.403    2.857    1.429
LGA    F   124_B      F   124_C    12.060     0    0.019   1.388    17.921    0.000    0.000
LGA    F   125_B      F   125_C     7.900     0    0.073   0.791     9.391    6.786    7.792
LGA    L   126_B      L   126_C     7.240     0    0.015   0.258     9.730    6.071    7.321
LGA    D   127_B      D   127_C    13.808     0    0.082   1.025    16.642    0.000    0.000
LGA    F   128_B      F   128_C    13.879     0    0.098   1.368    17.149    0.000    0.000
LGA    L   129_B      L   129_C     9.198     0    0.058   1.338    11.104    0.357   15.179
LGA    W   130_B      W   130_C    13.656     0    0.026   1.673    24.211    0.000    0.000
LGA    W   131_B      W   131_C    18.393     0    0.052   1.300    21.374    0.000    0.000
LGA    Q   132_B      Q   132_C    16.216     0    0.106   0.761    19.644    0.000    0.000
LGA    L   133_B      L   133_C    13.407     0    0.047   1.450    16.233    0.000    1.369
LGA    Y   134_B      Y   134_C    19.723     0    0.014   0.667    23.637    0.000    0.000
LGA    G   135_B      G   135_C    24.313     0    0.125   0.125    28.510    0.000    0.000
LGA    E   136_B      E   136_C    28.029     0    0.040   0.052    31.110    0.000    0.000
LGA    P   137_B      P   137_C    29.443     0    0.557   0.608    33.484    0.000    0.000
LGA    M   138_B      M   138_C    27.343     0    0.657   1.101    28.366    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00    1099   1099  100.00               127
SUMMARY(RMSD_GDC):    11.706         11.714                 12.295           25.341   23.317

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  127    4.0     50    2.66    35.827    32.211     1.810

LGA_LOCAL      RMSD:   2.662  Number of atoms:   50  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.807  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:  11.706  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.617487 * X  +  -0.629131 * Y  +   0.472127 * Z  +  47.889400
  Y_new =   0.688680 * X  +   0.142413 * Y  +  -0.710942 * Z  + -10.657873
  Z_new =   0.380039 * X  +   0.764142 * Y  +   0.521208 * Z  +  60.968269 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.839849 -0.389838  0.972197   [DEG:   48.1198  -22.3361   55.7028 ]
ZXZ:  0.586214  1.022531  0.461518   [DEG:   33.5876   58.5867   26.4430 ]
 
# END of job
