
#######################################################
#                                                     #
#                        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       4.93    17.70
  LCS_AVERAGE:     39.74

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      80_C - 113_C       1.96    12.20
  LONGEST_CONTINUOUS_SEGMENT:    34      81_C - 114_C       1.96    12.22
  LCS_AVERAGE:     19.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      83_C - 111_C       0.94    12.21
  LCS_AVERAGE:     14.59

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   30   50      3   13   20   30   33   37   40   47   50   53   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     I     3_B     I     3_C     26   30   50     16   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     Q     4_B     Q     4_C     26   30   50     17   25   27   30   33   40   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E     5_B     E     5_C     26   30   50     17   25   27   30   33   37   45   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E     6_B     E     6_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     I     7_B     I     7_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     Q     8_B     Q     8_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     K     9_B     K     9_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     K    10_B     K    10_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     V    11_B     V    11_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     R    12_B     R    12_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    13_B     E    13_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     L    14_B     L    14_C     26   30   50     14   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     L    15_B     L    15_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    16_B     E    16_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     K    17_B     K    17_C     26   30   50     16   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     L    18_B     L    18_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     I    19_B     I    19_C     26   30   50     16   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    20_B     E    20_C     26   30   50     16   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     Y    21_B     Y    21_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     L    22_B     L    22_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    23_B     E    23_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    24_B     E    24_C     26   30   50     15   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     L    25_B     L    25_C     26   30   50     17   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     K    26_B     K    26_C     26   30   50     14   25   27   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    27_B     E    27_C     26   30   50      3    3    6   10   25   32   42   50   53   54   56   60   62   64   68   75   79   81   83   86 
LCS_GDT     K    34_B     K    34_C     19   30   50      8   14   18   23   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    35_B     E    35_C     19   30   50     11   16   18   21   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     K    36_B     K    36_C     19   30   50     11   16   18   23   33   41   46   50   53   54   58   60   64   71   75   79   81   82   84   86 
LCS_GDT     L    37_B     L    37_C     19   30   50     11   16   18   23   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    38_B     E    38_C     19   30   50     11   16   18   23   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    39_B     E    39_C     19   30   50     11   16   18   23   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     V    40_B     V    40_C     19   30   50     11   16   18   23   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     I    41_B     I    41_C     19   30   50     11   16   18   23   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    42_B     E    42_C     19   30   50     11   16   18   23   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     G    43_B     G    43_C     19   30   50     11   16   18   23   33   41   46   50   53   54   58   60   65   71   75   79   81   82   84   86 
LCS_GDT     L    44_B     L    44_C     19   30   50     11   16   18   23   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    45_B     E    45_C     19   30   50     11   16   18   23   33   40   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     R    46_B     R    46_C     19   30   50      3   16   18   23   33   41   46   50   53   54   58   60   65   69   74   79   81   82   84   86 
LCS_GDT     L    47_B     L    47_C     19   30   50      5   16   18   20   33   41   46   50   53   54   58   60   65   69   73   79   81   82   84   86 
LCS_GDT     K    48_B     K    48_C     19   30   50      9   16   18   19   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    49_B     E    49_C     19   30   50      9   16   18   20   33   41   46   50   53   54   58   60   64   69   72   76   81   82   84   86 
LCS_GDT     E    50_B     E    50_C     19   30   50      4   16   18   18   29   38   46   50   53   54   56   60   62   64   70   75   78   82   83   86 
LCS_GDT     V    51_B     V    51_C     19   29   50      4   11   18   18   24   38   46   50   53   54   56   60   64   69   72   77   81   82   84   86 
LCS_GDT     D    52_B     D    52_C     19   21   50      3    4    5   18   20   21   22   39   46   54   56   60   62   64   70   75   81   82   84   86 
LCS_GDT     Q    55_B     Q    55_C      3   20   50      0    3    3    8   19   19   20   39   50   53   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     L    56_B     L    56_C      3    3   50      1    3    3    7   11   14   21   24   29   35   43   51   60   63   72   79   81   82   84   86 
LCS_GDT     N    57_B     N    57_C      4    4   50      3    4    4    7   10   15   21   24   31   38   46   51   65   71   75   79   81   82   84   86 
LCS_GDT     M    58_B     M    58_C      4    4   50      3    4    4    4    4    4   18   21   31   33   41   49   60   71   75   79   81   82   84   86 
LCS_GDT     N    59_B     N    59_C      4    4   50      3    4    4    4   13   17   23   27   33   35   40   43   49   59   63   68   77   82   84   86 
LCS_GDT     L    60_B     L    60_C      4    4   44      3    4    5    5    7   10   13   14   18   25   30   35   44   51   57   67   72   76   81   86 
LCS_GDT     I    61_B     I    61_C      3    3   19      3    3    5    5    7   10   12   17   20   25   31   42   48   55   63   66   73   78   84   86 
LCS_GDT     V    62_B     V    62_C      3   10   20      3    3    4    4    9   12   13   14   14   17   21   24   27   34   44   49   56   66   74   78 
LCS_GDT     F    63_B     F    63_C      3   12   20      3    3    6    9   12   12   13   14   14   14   16   18   21   23   25   29   32   36   44   50 
LCS_GDT     E    64_B     E    64_C      3   12   20      3    3    4    8   12   12   13   14   14   15   16   18   20   23   25   29   32   34   39   45 
LCS_GDT     G    65_B     G    65_C      8   12   20      3    6    8    9   12   12   13   14   14   15   16   19   21   23   25   29   32   36   41   47 
LCS_GDT     L    66_B     L    66_C      8   12   20      4    6    8    9   12   12   13   14   14   15   16   17   18   20   24   29   32   37   52   61 
LCS_GDT     E    67_B     E    67_C      8   12   20      4    6    8    9   12   12   13   14   14   15   16   17   18   20   31   46   50   55   60   66 
LCS_GDT     V    68_B     V    68_C      8   12   20      4    6    8    9   12   12   13   14   14   18   20   31   37   42   47   50   54   59   63   68 
LCS_GDT     D    69_B     D    69_C      8   12   20      4    6    8    9   12   12   13   14   14   16   20   24   41   44   52   57   60   66   74   77 
LCS_GDT     E    70_B     E    70_C      8   12   20      3    4    8    8   12   12   13   14   14   16   20   24   26   33   48   55   60   66   74   77 
LCS_GDT     E    71_B     E    71_C      8   12   20      3    6    8    9   12   12   13   14   14   15   16   17   21   27   31   42   49   58   65   76 
LCS_GDT     G    72_B     G    72_C      8   12   20      3    4    8    9   12   12   13   14   14   15   16   16   17   20   23   31   35   39   50   57 
LCS_GDT     R    73_B     R    73_C      3   12   40      3    3    5    6    8    9   13   14   14   15   16   19   21   25   27   33   41   46   53   66 
LCS_GDT     V    74_B     V    74_C      4   12   41      3    6    7    9   12   12   13   14   14   15   16   17   20   23   29   35   41   53   60   66 
LCS_GDT     W    75_B     W    75_C      4   11   42      3    3    4    8   12   12   13   14   14   18   28   38   47   50   52   60   65   70   75   82 
LCS_GDT     F    76_B     F    76_C      4    5   42      3    4    5    5    7    8   11   12   15   20   29   37   43   50   53   61   67   73   81   86 
LCS_GDT     I    77_B     I    77_C      4    5   42      3    4    5    5    7   10   13   14   18   24   29   41   47   53   58   66   73   76   84   86 
LCS_GDT     V    78_B     V    78_C      3    4   56      3    4    5    5    7   10   13   25   34   37   39   42   49   55   63   66   73   78   84   86 
LCS_GDT     K    79_B     K    79_C      3    4   58      3    3    4    5    7   10   15   21   32   37   38   42   49   56   63   66   73   78   84   86 
LCS_GDT     E    80_B     E    80_C      3   34   58      3    3    4    7   10   20   31   33   35   38   42   49   57   66   74   79   81   82   84   86 
LCS_GDT     M    81_B     M    81_C      3   34   58      3    3    4    7   10   15   31   33   36   38   42   49   56   64   72   79   81   82   84   86 
LCS_GDT     L    82_B     L    82_C      3   34   58      3    3    4    7   13   21   30   34   37   41   46   53   61   71   75   79   81   82   84   86 
LCS_GDT     H    83_B     H    83_C     29   34   58      3    9   17   25   30   31   33   35   38   43   50   61   65   71   75   79   81   82   84   86 
LCS_GDT     A    84_B     A    84_C     29   34   58      6   25   26   28   30   31   35   41   48   53   57   63   65   71   75   79   81   82   84   86 
LCS_GDT     T    85_B     T    85_C     29   34   58      3   15   26   28   30   31   33   35   45   50   55   58   63   71   75   79   81   82   84   86 
LCS_GDT     T    86_B     T    86_C     29   34   58      3    4   22   28   30   31   33   36   49   52   56   60   62   71   75   79   81   82   84   86 
LCS_GDT     E    87_B     E    87_C     29   34   58      8   24   26   28   30   31   33   47   50   52   55   60   62   66   73   78   81   82   84   86 
LCS_GDT     E    88_B     E    88_C     29   34   58     15   25   26   28   31   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    89_B     E    89_C     29   34   58     18   25   26   28   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     A    90_B     A    90_C     29   34   58     18   25   26   28   30   40   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     L    91_B     L    91_C     29   34   58     18   25   26   28   31   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    92_B     E    92_C     29   34   58     18   25   27   30   33   37   44   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     N    93_B     N    93_C     29   34   58     18   25   26   30   33   37   44   48   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     M    94_B     M    94_C     29   34   58     18   25   26   30   33   41   46   50   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     D    95_B     D    95_C     29   34   58     14   25   27   30   33   37   44   48   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     K    96_B     K    96_C     29   34   58     18   25   26   30   33   37   40   44   49   53   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     F    97_B     F    97_C     29   34   58     18   25   26   30   33   37   40   44   50   53   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     L    98_B     L    98_C     29   34   58     18   25   27   30   33   37   44   48   53   54   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E    99_B     E    99_C     29   34   58     18   25   26   28   32   37   40   44   48   53   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     S   100_B     S   100_C     29   34   58     18   25   26   28   32   37   40   44   48   51   57   63   65   71   75   79   81   82   84   86 
LCS_GDT     W   101_B     W   101_C     29   34   58     18   25   26   28   33   37   40   44   48   53   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     E   102_B     E   102_C     29   34   58     18   25   26   28   32   37   40   44   48   53   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     K   103_B     K   103_C     29   34   58     18   25   26   28   30   37   39   44   48   50   57   63   65   71   75   79   81   82   84   86 
LCS_GDT     V   104_B     V   104_C     29   34   58     18   25   26   28   30   37   40   44   48   50   56   63   65   71   75   79   81   82   84   86 
LCS_GDT     F   105_B     F   105_C     29   34   58     18   25   26   28   32   37   40   44   48   52   57   63   65   71   75   79   81   82   84   86 
LCS_GDT     K   106_B     K   106_C     29   34   58     18   25   26   28   30   37   39   44   48   50   56   63   65   71   75   79   81   82   84   86 
LCS_GDT     E   107_B     E   107_C     29   34   58     18   25   26   28   30   34   39   44   46   50   52   59   65   71   75   79   81   82   84   86 
LCS_GDT     L   108_B     L   108_C     29   34   58     18   25   26   28   32   37   40   44   48   50   56   62   65   71   75   79   81   82   84   86 
LCS_GDT     L   109_B     L   109_C     29   34   58     10   25   26   28   32   37   40   44   48   50   57   63   65   71   75   79   81   82   84   86 
LCS_GDT     E   110_B     E   110_C     29   34   58      7   25   26   28   30   31   39   44   46   48   51   54   65   71   75   79   81   82   84   86 
LCS_GDT     Y   111_B     Y   111_C     29   34   58      9   25   26   28   30   34   39   44   46   50   52   54   65   71   75   78   81   82   84   86 
LCS_GDT     H   112_B     H   112_C     27   34   58      3   13   19   27   32   37   40   44   48   50   57   63   65   71   75   79   81   82   84   86 
LCS_GDT     F   113_B     F   113_C     27   34   58      5   13   19   27   32   37   40   44   48   50   57   63   65   71   75   79   81   82   84   86 
LCS_GDT     E   114_B     E   114_C      3   34   58      5   13   19   26   32   37   40   44   48   50   57   63   65   71   75   79   81   82   84   86 
LCS_GDT     H   115_B     H   115_C      3    4   58      3    3    3   19   23   32   36   41   49   53   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     N   116_B     N   116_C      3   19   58      3    7   15   28   30   34   44   48   50   53   58   63   65   71   75   79   81   82   84   86 
LCS_GDT     S   119_B     S   119_C      3   19   58      3    3    3    5    9   14   19   21   28   52   56   59   62   64   65   68   71   73   77   83 
LCS_GDT     P   120_B     P   120_C     16   19   58      6   14   16   19   20   22   28   36   44   47   53   58   60   63   65   68   68   69   73   77 
LCS_GDT     T   121_B     T   121_C     16   19   58     12   14   16   19   20   22   29   36   42   47   50   50   60   63   65   68   68   70   73   77 
LCS_GDT     F   122_B     F   122_C     16   19   58     12   14   16   19   20   40   46   50   53   54   56   60   62   64   68   74   79   81   83   85 
LCS_GDT     D   123_B     D   123_C     16   19   58     12   14   16   19   20   22   29   36   44   47   53   58   60   63   65   68   68   70   73   77 
LCS_GDT     F   124_B     F   124_C     16   19   58     12   14   16   19   20   22   29   36   42   47   50   56   59   59   62   63   65   67   69   70 
LCS_GDT     F   125_B     F   125_C     16   19   58     12   14   16   19   20   22   29   36   44   47   53   58   60   63   65   68   68   70   73   77 
LCS_GDT     L   126_B     L   126_C     16   19   58     12   14   16   19   20   22   29   36   44   52   55   58   60   64   65   68   69   70   76   84 
LCS_GDT     D   127_B     D   127_C     16   19   58     12   14   16   19   20   22   29   36   42   47   50   50   57   58   59   62   65   67   68   70 
LCS_GDT     F   128_B     F   128_C     16   19   58     12   14   16   19   20   22   29   36   42   47   50   50   54   58   59   62   64   67   68   70 
LCS_GDT     L   129_B     L   129_C     16   19   58     12   14   16   19   20   23   29   36   42   47   53   56   59   59   63   66   68   69   71   76 
LCS_GDT     W   130_B     W   130_C     16   19   58     12   14   16   19   20   22   29   36   42   47   50   50   54   58   59   62   64   64   68   70 
LCS_GDT     W   131_B     W   131_C     16   19   58     12   14   16   19   20   22   29   36   42   47   50   50   52   53   54   56   57   63   64   65 
LCS_GDT     Q   132_B     Q   132_C     16   19   58     12   14   16   19   20   22   29   36   42   47   50   50   52   53   54   61   62   63   64   68 
LCS_GDT     L   133_B     L   133_C     16   19   58     10   14   16   19   20   23   29   36   42   47   50   50   54   58   59   61   64   64   65   68 
LCS_GDT     Y   134_B     Y   134_C     16   19   58      6   14   16   19   20   22   29   36   42   47   50   50   52   53   54   56   57   60   62   62 
LCS_GDT     G   135_B     G   135_C     16   19   58      4    9   15   19   20   22   29   36   42   47   50   50   52   53   54   56   57   58   59   59 
LCS_GDT     E   136_B     E   136_C      9   19   58      4    6   13   19   20   22   27   36   41   47   50   50   52   53   54   56   57   58   59   59 
LCS_GDT     P   137_B     P   137_C      6   19   58      3    5    6   10   15   22   25   32   41   46   50   50   52   53   54   55   56   58   59   59 
LCS_GDT     M   138_B     M   138_C      6   19   58      3    4    7   12   17   22   29   36   42   47   50   50   52   53   54   56   57   58   59   59 
LCS_AVERAGE  LCS_A:  24.64  (  14.59   19.58   39.74 )

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     18     25     27     30     33     41     46     50     53     54     58     63     65     71     75     79     81     82     84     86 
GDT PERCENT_AT  14.17  19.69  21.26  23.62  25.98  32.28  36.22  39.37  41.73  42.52  45.67  49.61  51.18  55.91  59.06  62.20  63.78  64.57  66.14  67.72
GDT RMS_LOCAL    0.30   0.53   0.70   0.94   1.30   2.33   2.48   2.62   2.78   2.85   3.42   3.99   4.12   4.59   4.82   5.10   5.11   5.19   5.35   5.49
GDT RMS_ALL_AT  12.23  14.35  14.28  14.13  13.97  15.99  15.98  15.98  15.73  15.74  14.41  13.42  13.57  12.97  12.95  12.90  13.17  13.10  12.98  13.06

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    13_B      E    13_C
#   possible swapping detected:  Y    21_B      Y    21_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:  E    49_B      E    49_C
#   possible swapping detected:  F    63_B      F    63_C
#   possible swapping detected:  E    64_B      E    64_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:  E    71_B      E    71_C
#   possible swapping detected:  F    97_B      F    97_C
#   possible swapping detected:  E    99_B      E    99_C
#   possible swapping detected:  Y   111_B      Y   111_C
#   possible swapping detected:  E   114_B      E   114_C
#   possible swapping detected:  F   122_B      F   122_C
#   possible swapping detected:  F   125_B      F   125_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     5.814     0    0.584   0.569     9.250   26.429   17.007
LGA    I     3_B      I     3_C     2.988     0    0.093   0.627     3.838   53.690   58.393
LGA    Q     4_B      Q     4_C     3.287     0    0.031   1.433     7.293   50.000   36.455
LGA    E     5_B      E     5_C     3.762     0    0.020   0.133     5.211   46.667   38.889
LGA    E     6_B      E     6_C     2.801     0    0.020   1.029     3.920   59.167   54.180
LGA    I     7_B      I     7_C     2.273     0    0.016   0.066     2.444   64.762   64.762
LGA    Q     8_B      Q     8_C     2.877     0    0.028   1.016     4.527   57.143   51.111
LGA    K     9_B      K     9_C     2.641     0    0.028   1.173     9.322   60.952   43.016
LGA    K    10_B      K    10_C     1.354     0    0.056   1.044     4.886   79.286   68.519
LGA    V    11_B      V    11_C     1.914     0    0.068   0.074     2.569   72.857   68.299
LGA    R    12_B      R    12_C     2.488     0    0.117   1.154     5.522   66.786   46.667
LGA    E    13_B      E    13_C     1.516     0    0.099   0.976     3.349   72.857   66.878
LGA    L    14_B      L    14_C     1.929     0    0.069   1.425     5.901   72.857   58.869
LGA    L    15_B      L    15_C     1.843     0    0.045   1.430     4.799   72.857   65.714
LGA    E    16_B      E    16_C     1.906     0    0.068   0.202     2.872   72.857   65.820
LGA    K    17_B      K    17_C     1.263     0    0.051   0.110     1.606   77.143   82.540
LGA    L    18_B      L    18_C     2.133     0    0.053   0.199     3.691   70.833   61.369
LGA    I    19_B      I    19_C     1.624     0    0.016   0.684     3.937   72.857   70.238
LGA    E    20_B      E    20_C     1.403     0    0.040   0.238     1.532   75.000   82.593
LGA    Y    21_B      Y    21_C     1.958     0    0.007   1.463     8.565   70.833   45.397
LGA    L    22_B      L    22_C     2.112     0    0.031   1.407     5.477   68.810   60.119
LGA    E    23_B      E    23_C     1.412     0    0.025   0.207     2.273   79.286   75.767
LGA    E    24_B      E    24_C     1.908     0    0.060   1.168     7.068   68.810   47.566
LGA    L    25_B      L    25_C     2.430     0    0.109   0.145     4.200   64.762   54.226
LGA    K    26_B      K    26_C     1.992     0    0.575   0.924     4.304   70.833   64.550
LGA    E    27_B      E    27_C     4.082     0    0.606   0.500     8.281   35.833   22.857
LGA    K    34_B      K    34_C     2.005     0    0.268   0.864     3.876   67.024   58.466
LGA    E    35_B      E    35_C     2.755     0    0.033   1.197     7.374   59.048   40.212
LGA    K    36_B      K    36_C     2.590     0    0.015   0.933     5.186   57.143   48.519
LGA    L    37_B      L    37_C     2.339     0    0.027   1.383     3.625   60.952   59.226
LGA    E    38_B      E    38_C     2.788     0    0.027   0.831     2.898   57.143   67.249
LGA    E    39_B      E    39_C     2.784     0    0.018   0.786     5.882   57.143   46.349
LGA    V    40_B      V    40_C     2.525     0    0.012   0.053     2.623   57.143   60.408
LGA    I    41_B      I    41_C     2.825     0    0.036   0.062     2.987   57.143   57.143
LGA    E    42_B      E    42_C     2.763     0    0.061   0.814     3.122   57.143   56.349
LGA    G    43_B      G    43_C     2.670     0    0.069   0.069     2.696   57.143   57.143
LGA    L    44_B      L    44_C     2.796     0    0.073   1.228     5.547   57.143   49.226
LGA    E    45_B      E    45_C     3.207     0    0.080   0.867     6.344   55.476   41.270
LGA    R    46_B      R    46_C     1.977     0    0.036   1.107     5.471   70.833   60.130
LGA    L    47_B      L    47_C     2.583     0    0.091   0.972     3.069   59.048   60.119
LGA    K    48_B      K    48_C     3.009     0    0.096   1.139     4.403   53.571   50.212
LGA    E    49_B      E    49_C     3.034     0    0.187   0.694     3.759   51.786   51.640
LGA    E    50_B      E    50_C     3.636     0    0.192   0.315     4.073   45.000   44.127
LGA    V    51_B      V    51_C     3.700     0    0.117   0.167     4.253   40.238   41.565
LGA    D    52_B      D    52_C     5.605     0    0.174   0.288     7.629   25.000   18.036
LGA    Q    55_B      Q    55_C     7.877     0    0.601   1.008    15.340    6.548    2.963
LGA    L    56_B      L    56_C    13.423     0    0.600   1.428    18.931    0.000    0.000
LGA    N    57_B      N    57_C    14.588     0    0.606   0.778    18.014    0.000    0.000
LGA    M    58_B      M    58_C    15.093     0    0.082   1.290    17.658    0.000    0.000
LGA    N    59_B      N    59_C    20.858     0    0.599   1.554    25.826    0.000    0.000
LGA    L    60_B      L    60_C    22.651     0    0.626   0.563    25.135    0.000    0.000
LGA    I    61_B      I    61_C    23.369     0    0.623   0.613    23.896    0.000    0.000
LGA    V    62_B      V    62_C    25.223     0    0.635   1.060    29.370    0.000    0.000
LGA    F    63_B      F    63_C    32.103     0    0.582   0.589    33.581    0.000    0.000
LGA    E    64_B      E    64_C    35.921     0    0.067   1.296    43.958    0.000    0.000
LGA    G    65_B      G    65_C    36.261     0    0.561   0.561    36.261    0.000    0.000
LGA    L    66_B      L    66_C    35.309     0    0.047   0.974    38.562    0.000    0.000
LGA    E    67_B      E    67_C    37.037     0    0.100   0.903    38.976    0.000    0.000
LGA    V    68_B      V    68_C    37.621     0    0.040   1.232    40.797    0.000    0.000
LGA    D    69_B      D    69_C    35.523     0    0.694   1.226    36.768    0.000    0.000
LGA    E    70_B      E    70_C    39.671     0    0.190   1.242    41.208    0.000    0.000
LGA    E    71_B      E    71_C    35.561     0    0.605   1.074    36.475    0.000    0.000
LGA    G    72_B      G    72_C    35.832     0    0.407   0.407    35.832    0.000    0.000
LGA    R    73_B      R    73_C    36.102     0    0.647   1.106    37.961    0.000    0.000
LGA    V    74_B      V    74_C    33.953     0    0.584   1.418    34.404    0.000    0.000
LGA    W    75_B      W    75_C    28.334     0    0.367   1.307    30.432    0.000    0.000
LGA    F    76_B      F    76_C    24.338     0    0.628   0.564    26.930    0.000    0.000
LGA    I    77_B      I    77_C    22.424     0    0.645   1.378    23.839    0.000    0.000
LGA    V    78_B      V    78_C    22.679     0    0.617   0.647    25.044    0.000    0.000
LGA    K    79_B      K    79_C    24.135     0    0.133   0.939    26.468    0.000    0.000
LGA    E    80_B      E    80_C    18.189     0    0.592   0.568    19.840    0.000    0.000
LGA    M    81_B      M    81_C    15.762     0    0.615   0.940    17.076    0.000    0.000
LGA    L    82_B      L    82_C    16.842     0    0.563   1.300    21.862    0.000    0.000
LGA    H    83_B      H    83_C    14.118     0    0.460   1.115    15.079    0.000    0.000
LGA    A    84_B      A    84_C     8.724     0    0.120   0.135    10.543    1.190    2.952
LGA    T    85_B      T    85_C     9.417     0    0.571   1.049    12.049    4.048    2.585
LGA    T    86_B      T    86_C     7.989     0    0.103   1.164     9.555    6.190    4.490
LGA    E    87_B      E    87_C     6.792     0    0.078   1.354    13.235   23.810   11.429
LGA    E    88_B      E    88_C     3.034     0    0.040   1.121     5.925   61.905   44.815
LGA    E    89_B      E    89_C     2.173     0    0.034   0.303     6.884   69.286   45.503
LGA    A    90_B      A    90_C     3.469     0    0.032   0.035     4.923   59.167   53.619
LGA    L    91_B      L    91_C     1.888     0    0.017   1.020     7.307   70.833   49.940
LGA    E    92_B      E    92_C     3.976     0    0.048   0.255     7.635   42.857   29.101
LGA    N    93_B      N    93_C     5.184     0    0.011   1.004     8.044   30.595   23.393
LGA    M    94_B      M    94_C     2.440     0    0.009   1.016     3.408   57.262   61.488
LGA    D    95_B      D    95_C     4.871     0    0.077   0.104     6.833   27.976   26.012
LGA    K    96_B      K    96_C     8.721     0    0.009   1.193    16.353    4.048    1.852
LGA    F    97_B      F    97_C     7.720     0    0.027   1.387     8.420    7.262    8.312
LGA    L    98_B      L    98_C     5.240     0    0.075   1.412     7.795   16.190   31.012
LGA    E    99_B      E    99_C    10.097     0    0.042   0.883    15.019    1.190    0.529
LGA    S   100_B      S   100_C    12.623     0    0.087   0.706    13.188    0.000    0.000
LGA    W   101_B      W   101_C     9.633     0    0.010   1.557    10.348    0.238    8.776
LGA    E   102_B      E   102_C     9.736     0    0.015   0.846    12.047    0.476    0.317
LGA    K   103_B      K   103_C    14.640     0    0.059   1.121    18.428    0.000    0.000
LGA    V   104_B      V   104_C    15.081     0    0.032   0.062    16.052    0.000    0.000
LGA    F   105_B      F   105_C    11.668     0    0.039   0.195    12.970    0.000    2.208
LGA    K   106_B      K   106_C    14.610     0    0.048   0.899    18.241    0.000    0.000
LGA    E   107_B      E   107_C    18.581     0    0.041   0.535    22.394    0.000    0.000
LGA    L   108_B      L   108_C    16.061     0    0.028   1.377    16.603    0.000    0.000
LGA    L   109_B      L   109_C    13.934     0    0.098   0.242    15.701    0.000    0.000
LGA    E   110_B      E   110_C    19.385     0    0.250   0.359    22.319    0.000    0.000
LGA    Y   111_B      Y   111_C    20.843     0    0.361   1.255    22.754    0.000    0.000
LGA    H   112_B      H   112_C    15.812     0    0.614   1.642    18.030    0.000    0.000
LGA    F   113_B      F   113_C    14.899     0    0.334   0.537    15.295    0.000    0.000
LGA    E   114_B      E   114_C    17.087     0    0.357   0.985    20.546    0.000    0.000
LGA    H   115_B      H   115_C    11.580     0    0.382   1.376    13.265    0.833    0.333
LGA    N   116_B      N   116_C     6.924     0    0.483   1.156    12.114   13.929    7.976
LGA    S   119_B      S   119_C     5.801     0    0.562   0.771     6.591   17.262   22.937
LGA    P   120_B      P   120_C     8.786     0    0.297   0.589    10.879    4.048    3.401
LGA    T   121_B      T   121_C     8.149     0    0.034   0.049     9.807    8.095    5.442
LGA    F   122_B      F   122_C     3.470     0    0.048   0.383     6.612   36.071   38.918
LGA    D   123_B      D   123_C     8.427     0    0.080   0.089    11.116    5.595    2.976
LGA    F   124_B      F   124_C    11.707     0    0.024   1.387    17.809    0.000    0.000
LGA    F   125_B      F   125_C     7.951     0    0.011   1.430     8.854    6.190   11.255
LGA    L   126_B      L   126_C     7.055     0    0.046   0.210     9.771    6.310   12.024
LGA    D   127_B      D   127_C    13.630     0    0.096   1.036    16.380    0.000    0.000
LGA    F   128_B      F   128_C    14.146     0    0.093   1.394    17.360    0.000    0.000
LGA    L   129_B      L   129_C     9.622     0    0.034   0.163    11.504    0.119   13.512
LGA    W   130_B      W   130_C    13.695     0    0.034   1.666    24.057    0.000    0.000
LGA    W   131_B      W   131_C    18.461     0    0.052   1.295    21.211    0.000    0.000
LGA    Q   132_B      Q   132_C    16.423     0    0.106   0.707    19.924    0.000    0.000
LGA    L   133_B      L   133_C    13.723     0    0.046   1.450    16.634    0.000    0.952
LGA    Y   134_B      Y   134_C    19.969     0    0.015   0.662    23.938    0.000    0.000
LGA    G   135_B      G   135_C    24.544     0    0.125   0.125    28.695    0.000    0.000
LGA    E   136_B      E   136_C    28.117     0    0.036   0.054    31.693    0.000    0.000
LGA    P   137_B      P   137_C    29.188     0    0.549   0.608    33.303    0.000    0.000
LGA    M   138_B      M   138_C    27.355     0    0.669   1.032    28.259    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):    11.824         11.819                 12.414           26.132   23.387

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  127    4.0     50    2.62    36.220    32.067     1.837

LGA_LOCAL      RMSD:   2.622  Number of atoms:   50  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.979  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:  11.824  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.826322 * X  +  -0.475723 * Y  +  -0.301462 * Z  +  51.189453
  Y_new =  -0.535757 * X  +   0.498927 * Y  +   0.681202 * Z  +  -9.424286
  Z_new =  -0.173656 * X  +   0.724403 * Y  +  -0.667146 * Z  +  61.179905 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.566369  0.174541  2.315072   [DEG: -147.0421   10.0005  132.6438 ]
ZXZ: -2.724956  2.301168 -0.235283   [DEG: -156.1285  131.8472  -13.4807 ]
 
# END of job
