
#######################################################
#                                                     #
#                        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:    57      80_C - 138_C       4.87    17.56
  LCS_AVERAGE:     39.15

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37       9_C - 51_C        2.00    16.33
  LCS_AVERAGE:     22.23

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      83_C - 113_C       0.86    12.37
  LCS_AVERAGE:     15.32

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     26   32   50      3   10   19   29   35   40   45   47   51   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     I     3_B     I     3_C     26   34   50     10   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     Q     4_B     Q     4_C     26   34   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E     5_B     E     5_C     26   34   50     15   24   27   29   35   42   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E     6_B     E     6_C     26   34   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     I     7_B     I     7_C     26   35   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     Q     8_B     Q     8_C     26   35   50     15   24   27   29   35   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     K     9_B     K     9_C     26   37   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     K    10_B     K    10_C     26   37   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     V    11_B     V    11_C     26   37   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     R    12_B     R    12_C     26   37   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    13_B     E    13_C     26   37   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     L    14_B     L    14_C     26   37   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     L    15_B     L    15_C     26   37   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    16_B     E    16_C     26   37   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     K    17_B     K    17_C     26   37   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     L    18_B     L    18_C     26   37   50     10   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     I    19_B     I    19_C     26   37   50     11   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    20_B     E    20_C     26   37   50     15   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     Y    21_B     Y    21_C     26   37   50     11   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     L    22_B     L    22_C     26   37   50     12   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    23_B     E    23_C     26   37   50     12   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    24_B     E    24_C     26   37   50     12   24   27   29   37   45   47   49   53   54   56   60   68   72   75   77   80   82   83   85 
LCS_GDT     L    25_B     L    25_C     26   37   50     10   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     K    26_B     K    26_C     26   37   50     11   24   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    27_B     E    27_C     26   37   50      3    4    9   19   28   38   47   49   53   54   56   60   62   66   69   74   80   82   83   85 
LCS_GDT     K    34_B     K    34_C     19   37   50      7   16   18   28   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    35_B     E    35_C     19   37   50     10   16   27   29   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     K    36_B     K    36_C     19   37   50     10   16   18   28   37   45   47   49   53   54   56   60   67   69   73   77   80   82   83   85 
LCS_GDT     L    37_B     L    37_C     19   37   50     10   16   18   28   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    38_B     E    38_C     19   37   50     10   16   18   28   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    39_B     E    39_C     19   37   50     10   16   18   28   37   45   47   49   53   54   56   60   67   72   75   77   80   82   83   85 
LCS_GDT     V    40_B     V    40_C     19   37   50     10   16   18   28   37   45   47   49   53   54   56   60   68   72   75   77   80   82   83   85 
LCS_GDT     I    41_B     I    41_C     19   37   50     10   16   18   28   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    42_B     E    42_C     19   37   50     10   16   18   28   37   45   47   49   53   54   56   60   68   72   75   77   80   82   83   85 
LCS_GDT     G    43_B     G    43_C     19   37   50     10   16   18   28   37   45   47   49   53   54   56   60   63   66   73   77   80   82   83   85 
LCS_GDT     L    44_B     L    44_C     19   37   50     10   16   18   28   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    45_B     E    45_C     19   37   50      9   16   18   28   37   45   47   49   53   54   56   60   68   72   75   77   80   82   83   85 
LCS_GDT     R    46_B     R    46_C     19   37   50     10   16   18   28   37   45   47   49   53   54   56   60   62   66   69   77   80   82   83   85 
LCS_GDT     L    47_B     L    47_C     19   37   50      7   16   18   28   37   45   47   49   53   54   56   60   62   66   69   77   80   82   83   85 
LCS_GDT     K    48_B     K    48_C     19   37   50      8   16   18   28   37   45   47   49   53   54   56   60   67   72   75   77   80   82   83   85 
LCS_GDT     E    49_B     E    49_C     19   37   50      8   16   18   28   37   45   47   49   53   54   56   60   62   66   69   74   78   82   83   85 
LCS_GDT     E    50_B     E    50_C     19   37   50      4   16   18   22   37   45   47   49   53   54   56   60   62   66   68   71   75   79   80   83 
LCS_GDT     V    51_B     V    51_C     19   37   50      4    9   18   19   28   45   47   49   53   54   56   60   62   66   69   75   80   82   83   85 
LCS_GDT     D    52_B     D    52_C     19   34   50      3    3    4   17   19   21   24   42   50   54   56   60   62   66   69   74   78   82   83   85 
LCS_GDT     Q    55_B     Q    55_C      3   20   50      0    3    3    8   17   20   28   41   48   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     L    56_B     L    56_C      3    3   50      0    3    4    7   11   15   22   25   30   36   44   49   62   72   74   77   80   82   83   85 
LCS_GDT     N    57_B     N    57_C      4    4   50      3    4    4    7   11   16   24   32   38   44   55   63   68   72   75   77   80   82   83   85 
LCS_GDT     M    58_B     M    58_C      4    4   50      3    4    4    4    6    6   18   28   33   39   53   62   68   72   75   77   80   82   83   85 
LCS_GDT     N    59_B     N    59_C      4    4   50      3    4    4    4    4   19   24   29   34   39   43   47   52   57   63   70   78   80   83   85 
LCS_GDT     L    60_B     L    60_C      4    4   44      3    4    5    5    7   10   11   14   17   23   26   30   41   55   59   67   72   80   82   85 
LCS_GDT     I    61_B     I    61_C      3    3   19      3    3    5    6    9   12   15   18   21   23   30   43   51   54   62   69   74   80   82   85 
LCS_GDT     V    62_B     V    62_C      3   12   19      3    3    3    4   11   11   13   13   14   16   20   24   27   29   34   38   48   60   67   75 
LCS_GDT     F    63_B     F    63_C      8   13   19      3    3    4   10   12   12   13   13   14   14   15   21   23   25   29   29   30   34   40   43 
LCS_GDT     E    64_B     E    64_C      9   13   19      3    8    8   10   12   12   13   13   14   14   15   16   17   25   29   29   30   31   36   40 
LCS_GDT     G    65_B     G    65_C      9   13   19      3    8    8   10   12   12   13   13   14   14   15   16   17   25   29   29   30   31   37   41 
LCS_GDT     L    66_B     L    66_C      9   13   19      4    8    8   10   12   12   13   13   14   14   15   16   17   18   22   25   30   35   40   54 
LCS_GDT     E    67_B     E    67_C      9   13   19      4    8    8   10   12   12   13   13   14   14   15   16   17   27   31   40   47   52   60   65 
LCS_GDT     V    68_B     V    68_C      9   13   19      4    8    8   10   12   12   13   13   14   14   15   16   17   23   35   43   49   55   61   65 
LCS_GDT     D    69_B     D    69_C      9   13   19      4    8    8   10   12   12   13   13   14   14   15   22   40   46   50   55   60   68   74   79 
LCS_GDT     E    70_B     E    70_C      9   13   19      4    8    8   10   12   12   13   13   14   14   17   19   27   36   44   52   57   68   74   79 
LCS_GDT     E    71_B     E    71_C      9   13   19      3    8    8   10   12   12   13   13   14   14   15   17   23   26   31   36   47   52   66   75 
LCS_GDT     G    72_B     G    72_C      9   13   19      3    4    8   10   12   12   13   13   14   14   15   17   18   23   24   26   34   38   43   52 
LCS_GDT     R    73_B     R    73_C      4   13   42      3    4    5   10   12   12   13   13   14   14   15   17   25   28   31   35   41   48   58   65 
LCS_GDT     V    74_B     V    74_C      4   13   42      3    4    5    6    7   12   12   13   14   14   15   23   27   29   40   43   49   65   74   79 
LCS_GDT     W    75_B     W    75_C      3   13   42      3    3    3   10   12   12   13   13   14   16   20   26   41   46   50   55   64   72   75   79 
LCS_GDT     F    76_B     F    76_C      3    3   42      3    4    5    5    5    6    8   12   17   18   22   35   43   47   55   62   69   76   82   85 
LCS_GDT     I    77_B     I    77_C      3    3   42      3    4    5    5    7    9   11   14   17   23   26   42   45   52   60   69   74   80   83   85 
LCS_GDT     V    78_B     V    78_C      3    4   42      3    4    5    5    7    9   11   14   32   38   41   46   51   54   63   69   74   80   83   85 
LCS_GDT     K    79_B     K    79_C      3    4   42      3    3    3    5    7   10   11   15   24   38   41   46   51   54   63   69   74   80   83   85 
LCS_GDT     E    80_B     E    80_C      3   35   57      3    3    4    7    9   12   28   35   37   38   41   52   57   66   75   77   79   81   83   85 
LCS_GDT     M    81_B     M    81_C      3   35   57      3    3    3    7   11   16   24   36   37   38   41   52   57   65   75   77   79   81   83   85 
LCS_GDT     L    82_B     L    82_C      3   35   57      3    3    5    7   12   22   33   36   37   41   45   55   63   71   75   77   79   81   83   85 
LCS_GDT     H    83_B     H    83_C     31   35   57      8   10   13   23   31   33   35   38   40   47   55   63   68   72   75   77   80   82   83   85 
LCS_GDT     A    84_B     A    84_C     31   35   57      8   12   30   30   32   33   35   38   49   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     T    85_B     T    85_C     31   35   57      8   23   30   30   32   33   34   38   39   48   55   63   68   72   75   77   80   82   83   85 
LCS_GDT     T    86_B     T    86_C     31   35   57      8   26   30   30   32   39   42   48   51   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    87_B     E    87_C     31   35   57      8   27   30   30   32   41   46   48   51   53   56   60   66   71   75   77   80   82   83   85 
LCS_GDT     E    88_B     E    88_C     31   35   57     19   27   30   30   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    89_B     E    89_C     31   35   57     19   27   30   30   37   44   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     A    90_B     A    90_C     31   35   57     19   27   30   30   36   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     L    91_B     L    91_C     31   35   57     19   27   30   30   37   45   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    92_B     E    92_C     31   35   57     19   27   30   30   35   40   45   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     N    93_B     N    93_C     31   35   57     11   27   30   30   35   40   45   47   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     M    94_B     M    94_C     31   35   57     12   27   30   30   37   44   47   49   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     D    95_B     D    95_C     31   35   57     19   27   30   30   35   40   45   47   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     K    96_B     K    96_C     31   35   57     19   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     F    97_B     F    97_C     31   35   57     19   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     L    98_B     L    98_C     31   35   57     19   27   30   30   35   40   45   47   53   54   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E    99_B     E    99_C     31   35   57     19   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     S   100_B     S   100_C     31   35   57     19   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     W   101_B     W   101_C     31   35   57     19   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E   102_B     E   102_C     31   35   57     19   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     K   103_B     K   103_C     31   35   57     19   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     V   104_B     V   104_C     31   35   57     19   27   30   30   34   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     F   105_B     F   105_C     31   35   57     19   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     K   106_B     K   106_C     31   35   57     19   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E   107_B     E   107_C     31   35   57     19   27   30   30   32   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     L   108_B     L   108_C     31   35   57     19   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     L   109_B     L   109_C     31   35   57     11   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E   110_B     E   110_C     31   35   57     11   27   30   30   32   40   42   47   49   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     Y   111_B     Y   111_C     31   35   57     11   27   30   30   32   40   45   47   50   53   56   63   66   72   75   77   80   82   83   85 
LCS_GDT     H   112_B     H   112_C     31   35   57     11   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     F   113_B     F   113_C     31   35   57      5   27   30   30   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     E   114_B     E   114_C     30   35   57      3    4   13   27   35   40   45   47   50   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     H   115_B     H   115_C      3   22   57      3    3   10   19   32   34   39   41   48   53   56   63   68   72   75   77   80   82   83   85 
LCS_GDT     N   116_B     N   116_C      3   22   57      4    6    9   21   25   28   37   44   50   53   56   60   67   69   73   77   80   82   83   85 
LCS_GDT     S   119_B     S   119_C      3   22   57      3    3    3    4    8   10   19   29   36   53   56   58   62   63   64   68   71   73   75   80 
LCS_GDT     P   120_B     P   120_C     16   22   57      6   16   17   19   22   25   32   43   48   52   56   58   61   62   63   66   67   69   73   76 
LCS_GDT     T   121_B     T   121_C     16   22   57      9   16   17   19   22   25   28   33   38   43   56   58   61   63   64   66   68   70   74   77 
LCS_GDT     F   122_B     F   122_C     16   22   57      9   16   17   19   34   45   47   49   53   54   56   60   62   65   68   71   73   77   81   84 
LCS_GDT     D   123_B     D   123_C     16   22   57      9   16   17   19   22   25   28   33   38   52   54   58   61   62   63   64   67   69   73   76 
LCS_GDT     F   124_B     F   124_C     16   22   57      9   16   17   19   22   25   28   33   38   43   48   51   53   59   61   63   63   66   69   69 
LCS_GDT     F   125_B     F   125_C     16   22   57      9   16   17   19   22   25   28   43   48   52   56   58   61   63   64   66   68   70   74   77 
LCS_GDT     L   126_B     L   126_C     16   22   57      9   16   17   19   22   25   28   43   48   52   56   58   61   63   64   66   68   70   74   77 
LCS_GDT     D   127_B     D   127_C     16   22   57      9   16   17   19   22   25   28   33   38   43   48   51   53   56   59   61   62   62   63   68 
LCS_GDT     F   128_B     F   128_C     16   22   57      9   16   17   19   22   25   28   33   38   43   48   51   53   56   59   61   62   62   63   68 
LCS_GDT     L   129_B     L   129_C     16   22   57      9   16   17   19   22   25   28   33   38   43   48   51   58   60   61   64   67   69   70   75 
LCS_GDT     W   130_B     W   130_C     16   22   57      9   16   17   19   22   25   28   33   38   43   48   51   53   56   59   61   62   62   63   63 
LCS_GDT     W   131_B     W   131_C     16   22   57      6   16   17   19   22   25   28   33   38   43   48   50   51   53   55   57   62   62   63   63 
LCS_GDT     Q   132_B     Q   132_C     16   22   57      9   16   17   19   22   25   28   33   38   43   48   50   51   53   55   61   62   62   63   63 
LCS_GDT     L   133_B     L   133_C     16   22   57      9   16   17   19   22   25   28   33   38   43   48   50   53   56   59   61   62   62   63   63 
LCS_GDT     Y   134_B     Y   134_C     16   22   57      9   16   17   19   22   25   28   33   38   43   48   50   51   53   55   56   56   61   61   61 
LCS_GDT     G   135_B     G   135_C     16   22   57      5   10   17   19   22   25   28   33   38   43   48   50   51   53   55   56   56   57   59   59 
LCS_GDT     E   136_B     E   136_C     16   22   57      5    6   15   19   22   25   28   33   38   43   48   50   51   53   55   56   56   57   59   59 
LCS_GDT     P   137_B     P   137_C      7   22   57      5    6    6   12   20   25   27   33   38   43   48   50   51   53   53   54   56   57   59   59 
LCS_GDT     M   138_B     M   138_C      6   20   57      3    4   10   16   21   24   28   33   38   43   48   50   51   53   55   56   56   57   59   59 
LCS_AVERAGE  LCS_A:  25.57  (  15.32   22.23   39.15 )

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     19     27     30     30     37     45     47     49     53     54     56     63     68     72     75     77     80     82     83     85 
GDT PERCENT_AT  14.96  21.26  23.62  23.62  29.13  35.43  37.01  38.58  41.73  42.52  44.09  49.61  53.54  56.69  59.06  60.63  62.99  64.57  65.35  66.93
GDT RMS_LOCAL    0.33   0.56   0.72   0.72   1.84   2.16   2.22   2.31   2.63   2.69   2.94   3.94   4.26   4.50   4.77   4.86   5.03   5.17   5.25   5.43
GDT RMS_ALL_AT  12.45  12.41  12.40  12.40  16.14  16.23  16.05  16.03  15.71  15.73  15.54  13.05  13.06  13.07  12.85  13.11  13.15  13.25  13.18  13.05

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    13_B      E    13_C
#   possible swapping detected:  E    24_B      E    24_C
#   possible swapping detected:  E    35_B      E    35_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    45_B      E    45_C
#   possible swapping detected:  F    63_B      F    63_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    89_B      E    89_C
#   possible swapping detected:  E    99_B      E    99_C
#   possible swapping detected:  E   102_B      E   102_C
#   possible swapping detected:  E   107_B      E   107_C
#   possible swapping detected:  Y   111_B      Y   111_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     6.144     0    0.590   0.572     9.590   24.048   14.898
LGA    I     3_B      I     3_C     2.796     0    0.087   0.111     3.803   59.524   63.393
LGA    Q     4_B      Q     4_C     2.996     0    0.039   1.449     7.496   55.357   39.577
LGA    E     5_B      E     5_C     3.767     0    0.015   0.143     5.650   48.333   37.302
LGA    E     6_B      E     6_C     2.602     0    0.019   1.016     3.381   62.976   60.741
LGA    I     7_B      I     7_C     1.584     0    0.010   0.065     1.892   72.857   75.000
LGA    Q     8_B      Q     8_C     2.845     0    0.017   1.067     4.352   59.048   51.164
LGA    K     9_B      K     9_C     2.658     0    0.026   1.191     9.830   60.952   41.323
LGA    K    10_B      K    10_C     1.097     0    0.067   0.848     2.179   83.810   78.783
LGA    V    11_B      V    11_C     1.550     0    0.068   0.103     2.247   75.000   72.925
LGA    R    12_B      R    12_C     2.358     0    0.128   1.150     5.980   68.810   45.887
LGA    E    13_B      E    13_C     1.297     0    0.090   1.000     3.545   79.286   68.995
LGA    L    14_B      L    14_C     1.586     0    0.045   1.392     5.430   75.000   62.440
LGA    L    15_B      L    15_C     1.666     0    0.044   1.399     4.630   72.857   65.714
LGA    E    16_B      E    16_C     1.706     0    0.076   0.201     2.976   77.143   68.624
LGA    K    17_B      K    17_C     1.046     0    0.062   0.117     1.516   79.286   84.497
LGA    L    18_B      L    18_C     2.108     0    0.095   1.364     6.224   70.833   59.048
LGA    I    19_B      I    19_C     1.416     0    0.017   0.698     3.696   79.286   75.595
LGA    E    20_B      E    20_C     1.314     0    0.046   0.228     1.402   81.429   83.439
LGA    Y    21_B      Y    21_C     1.643     0    0.031   0.801     6.157   72.857   55.040
LGA    L    22_B      L    22_C     1.898     0    0.047   1.418     5.398   72.857   62.143
LGA    E    23_B      E    23_C     1.263     0    0.019   0.212     2.021   81.429   76.720
LGA    E    24_B      E    24_C     1.703     0    0.071   1.166     6.919   75.000   51.429
LGA    L    25_B      L    25_C     2.126     0    0.116   0.154     3.714   70.833   59.643
LGA    K    26_B      K    26_C     1.865     0    0.564   0.695     3.043   72.857   68.571
LGA    E    27_B      E    27_C     3.836     0    0.603   0.498     8.052   38.810   24.974
LGA    K    34_B      K    34_C     1.517     0    0.272   0.951     2.965   77.262   67.831
LGA    E    35_B      E    35_C     2.120     0    0.022   1.192     6.683   66.786   46.349
LGA    K    36_B      K    36_C     2.221     0    0.016   0.988     5.684   64.762   52.381
LGA    L    37_B      L    37_C     1.908     0    0.025   1.374     3.237   68.810   66.012
LGA    E    38_B      E    38_C     2.277     0    0.028   0.109     2.482   64.762   64.762
LGA    E    39_B      E    39_C     2.302     0    0.048   0.794     5.376   64.762   53.122
LGA    V    40_B      V    40_C     2.093     0    0.045   0.082     2.150   64.762   68.231
LGA    I    41_B      I    41_C     2.348     0    0.029   0.060     2.573   64.762   62.857
LGA    E    42_B      E    42_C     2.195     0    0.066   0.787     3.002   64.762   60.582
LGA    G    43_B      G    43_C     2.077     0    0.086   0.086     2.090   64.762   64.762
LGA    L    44_B      L    44_C     2.196     0    0.047   1.262     5.001   64.762   57.143
LGA    E    45_B      E    45_C     2.664     0    0.065   0.982     4.386   60.952   56.667
LGA    R    46_B      R    46_C     1.639     0    0.027   1.133     5.383   75.000   61.645
LGA    L    47_B      L    47_C     2.182     0    0.091   1.009     2.915   66.786   66.964
LGA    K    48_B      K    48_C     2.507     0    0.100   0.775     5.319   62.857   51.799
LGA    E    49_B      E    49_C     2.520     0    0.208   0.610     2.609   59.048   67.831
LGA    E    50_B      E    50_C     3.125     0    0.192   0.320     3.779   51.786   50.847
LGA    V    51_B      V    51_C     3.293     0    0.112   0.135     3.823   46.667   45.238
LGA    D    52_B      D    52_C     5.232     0    0.170   0.286     7.367   28.810   21.131
LGA    Q    55_B      Q    55_C     7.962     0    0.594   1.070    15.482    6.310    2.804
LGA    L    56_B      L    56_C    13.356     0    0.596   1.431    18.689    0.000    0.000
LGA    N    57_B      N    57_C    14.383     0    0.605   0.748    17.336    0.000    0.000
LGA    M    58_B      M    58_C    15.249     0    0.033   0.945    17.976    0.000    0.000
LGA    N    59_B      N    59_C    21.349     0    0.603   1.550    26.309    0.000    0.000
LGA    L    60_B      L    60_C    23.034     0    0.600   0.571    25.588    0.000    0.000
LGA    I    61_B      I    61_C    24.111     0    0.617   0.984    24.929    0.000    0.000
LGA    V    62_B      V    62_C    26.451     0    0.644   1.267    30.841    0.000    0.000
LGA    F    63_B      F    63_C    33.246     0    0.690   0.535    35.336    0.000    0.000
LGA    E    64_B      E    64_C    36.897     0    0.109   1.234    41.949    0.000    0.000
LGA    G    65_B      G    65_C    36.916     0    0.101   0.101    36.916    0.000    0.000
LGA    L    66_B      L    66_C    36.287     0    0.082   1.296    39.216    0.000    0.000
LGA    E    67_B      E    67_C    39.327     0    0.082   0.873    45.251    0.000    0.000
LGA    V    68_B      V    68_C    38.069     0    0.050   0.166    40.359    0.000    0.000
LGA    D    69_B      D    69_C    37.579     0    0.093   1.351    38.812    0.000    0.000
LGA    E    70_B      E    70_C    39.896     0    0.054   1.252    41.945    0.000    0.000
LGA    E    71_B      E    71_C    35.362     0    0.528   1.134    36.569    0.000    0.000
LGA    G    72_B      G    72_C    35.142     0    0.268   0.268    35.287    0.000    0.000
LGA    R    73_B      R    73_C    28.520     0    0.581   0.841    30.884    0.000    0.000
LGA    V    74_B      V    74_C    27.388     0    0.579   0.885    27.698    0.000    0.000
LGA    W    75_B      W    75_C    28.807     0    0.647   0.667    34.672    0.000    0.000
LGA    F    76_B      F    76_C    24.969     0    0.591   1.334    25.912    0.000    0.000
LGA    I    77_B      I    77_C    23.046     0    0.614   0.790    23.676    0.000    0.000
LGA    V    78_B      V    78_C    23.189     0    0.617   0.665    25.586    0.000    0.000
LGA    K    79_B      K    79_C    24.877     0    0.097   0.571    27.343    0.000    0.000
LGA    E    80_B      E    80_C    19.019     0    0.597   0.626    20.662    0.000    0.000
LGA    M    81_B      M    81_C    16.111     0    0.620   0.942    17.414    0.000    0.000
LGA    L    82_B      L    82_C    17.358     0    0.564   0.719    20.131    0.000    0.000
LGA    H    83_B      H    83_C    14.950     0    0.520   1.420    16.440    0.000    0.000
LGA    A    84_B      A    84_C     9.653     0    0.100   0.117    11.348    0.119    1.524
LGA    T    85_B      T    85_C    10.420     0    0.174   0.186    12.895    0.952    0.748
LGA    T    86_B      T    86_C     5.917     0    0.063   1.034     7.050   22.262   30.680
LGA    E    87_B      E    87_C     5.276     0    0.066   1.351    11.422   38.095   19.577
LGA    E    88_B      E    88_C     2.480     0    0.028   1.140     4.859   62.976   52.328
LGA    E    89_B      E    89_C     3.169     0    0.064   1.022     9.152   57.976   34.392
LGA    A    90_B      A    90_C     2.964     0    0.043   0.053     4.247   69.048   62.667
LGA    L    91_B      L    91_C     1.990     0    0.019   1.014     6.951   67.619   47.500
LGA    E    92_B      E    92_C     5.393     0    0.049   0.268     9.182   26.071   15.397
LGA    N    93_B      N    93_C     6.135     0    0.007   1.011     8.906   21.667   15.774
LGA    M    94_B      M    94_C     2.939     0    0.023   0.980     4.128   45.238   56.845
LGA    D    95_B      D    95_C     5.849     0    0.070   0.123     7.711   18.929   16.726
LGA    K    96_B      K    96_C     9.784     0    0.036   1.078    19.329    1.429    0.635
LGA    F    97_B      F    97_C     8.501     0    0.015   0.150     9.892    4.405    5.671
LGA    L    98_B      L    98_C     5.667     0    0.026   1.410     7.867   13.929   30.893
LGA    E    99_B      E    99_C    10.651     0    0.036   0.873    16.201    0.714    0.317
LGA    S   100_B      S   100_C    13.271     0    0.081   0.715    14.005    0.000    0.000
LGA    W   101_B      W   101_C     9.884     0    0.023   1.103    10.881    0.238    6.463
LGA    E   102_B      E   102_C     9.818     0    0.013   1.059    12.220    0.476    0.476
LGA    K   103_B      K   103_C    15.120     0    0.077   1.131    19.175    0.000    0.000
LGA    V   104_B      V   104_C    15.463     0    0.035   0.054    16.718    0.000    0.000
LGA    F   105_B      F   105_C    11.263     0    0.027   0.441    12.459    0.000    7.662
LGA    K   106_B      K   106_C    14.608     0    0.024   0.170    21.323    0.000    0.000
LGA    E   107_B      E   107_C    18.951     0    0.028   1.147    23.663    0.000    0.000
LGA    L   108_B      L   108_C    16.210     0    0.012   1.360    16.745    0.000    0.000
LGA    L   109_B      L   109_C    13.613     0    0.015   0.142    15.515    0.000    0.179
LGA    E   110_B      E   110_C    18.898     0    0.020   0.161    22.264    0.000    0.000
LGA    Y   111_B      Y   111_C    21.207     0    0.033   1.382    27.505    0.000    0.000
LGA    H   112_B      H   112_C    17.756     0    0.038   1.104    18.565    0.000    0.000
LGA    F   113_B      F   113_C    16.704     0    0.078   0.706    17.508    0.000    0.000
LGA    E   114_B      E   114_C    19.199     0    0.123   1.074    25.628    0.000    0.000
LGA    H   115_B      H   115_C    13.489     0    0.603   1.411    15.383    0.000    0.000
LGA    N   116_B      N   116_C     8.681     0    0.431   0.368    13.637    5.833    2.976
LGA    S   119_B      S   119_C     5.729     0    0.570   0.774     6.839   17.262   22.063
LGA    P   120_B      P   120_C     8.594     0    0.235   0.320    10.625    5.595    4.694
LGA    T   121_B      T   121_C     7.204     0    0.058   0.053     8.746   14.524   10.544
LGA    F   122_B      F   122_C     3.030     0    0.051   1.116     8.761   37.738   26.926
LGA    D   123_B      D   123_C     9.051     0    0.071   0.094    12.636    3.810    1.905
LGA    F   124_B      F   124_C    11.473     0    0.015   1.437    17.248    0.000    0.000
LGA    F   125_B      F   125_C     7.275     0    0.068   0.983     8.921    9.524   10.866
LGA    L   126_B      L   126_C     7.246     0    0.047   0.962    10.724    7.024    4.286
LGA    D   127_B      D   127_C    13.779     0    0.067   1.007    16.791    0.000    0.000
LGA    F   128_B      F   128_C    13.711     0    0.101   1.387    16.993    0.000    0.000
LGA    L   129_B      L   129_C     9.548     0    0.110   1.328    11.239    0.119    8.869
LGA    W   130_B      W   130_C    13.373     0    0.024   1.572    18.027    0.000    0.000
LGA    W   131_B      W   131_C    18.147     0    0.071   1.329    20.507    0.000    0.000
LGA    Q   132_B      Q   132_C    16.287     0    0.106   0.716    19.692    0.000    0.000
LGA    L   133_B      L   133_C    13.515     0    0.055   1.436    16.308    0.000    1.369
LGA    Y   134_B      Y   134_C    19.721     0    0.032   0.240    23.558    0.000    0.000
LGA    G   135_B      G   135_C    24.295     0    0.135   0.135    28.472    0.000    0.000
LGA    E   136_B      E   136_C    28.020     0    0.023   0.091    32.194    0.000    0.000
LGA    P   137_B      P   137_C    28.724     0    0.543   0.601    32.955    0.000    0.000
LGA    M   138_B      M   138_C    26.671     0    0.665   1.023    27.647    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):    11.837         11.848                 12.388           27.663   24.707

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  127    4.0     49    2.31    36.024    33.423     2.033

LGA_LOCAL      RMSD:   2.310  Number of atoms:   49  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.034  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:  11.837  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.372666 * X  +   0.021731 * Y  +  -0.927711 * Z  +  47.798012
  Y_new =  -0.743458 * X  +   0.591281 * Y  +   0.312501 * Z  +  -7.291788
  Z_new =   0.555328 * X  +   0.806173 * Y  +  -0.204194 * Z  +  60.009029 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.035452 -0.588758  1.818868   [DEG: -116.6228  -33.7333  104.2134 ]
ZXZ: -1.895710  1.776437  0.603200   [DEG: -108.6162  101.7823   34.5608 ]
 
# END of job
