
#######################################################
#                                                     #
#                        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  147 ( 1260),  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:    61      74_C - 136_C       4.91    21.30
  LONGEST_CONTINUOUS_SEGMENT:    61      75_C - 137_C       4.94    21.33
  LCS_AVERAGE:     45.87

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43       2_C - 50_C        1.84    17.63
  LONGEST_CONTINUOUS_SEGMENT:    43       3_C - 51_C        1.98    17.63
  LCS_AVERAGE:     20.14

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34       3_C - 42_C        1.00    17.76
  LCS_AVERAGE:     14.43

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   43   59      3    9   21   33   39   41   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     I     3_B     I     3_C     34   43   59      3   18   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     Q     4_B     Q     4_C     34   43   59      7   24   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E     5_B     E     5_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E     6_B     E     6_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     I     7_B     I     7_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     Q     8_B     Q     8_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     K     9_B     K     9_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     K    10_B     K    10_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     V    11_B     V    11_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     R    12_B     R    12_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    13_B     E    13_C     34   43   59      8   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     L    14_B     L    14_C     34   43   59      9   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     L    15_B     L    15_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    16_B     E    16_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     K    17_B     K    17_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     L    18_B     L    18_C     34   43   59      9   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     I    19_B     I    19_C     34   43   59      7   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    20_B     E    20_C     34   43   59      6   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     Y    21_B     Y    21_C     34   43   59      9   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     L    22_B     L    22_C     34   43   59      9   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    23_B     E    23_C     34   43   59      9   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    24_B     E    24_C     34   43   59      8   25   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     L    25_B     L    25_C     34   43   59      4   22   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     K    26_B     K    26_C     34   43   59      3   13   32   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    27_B     E    27_C     34   43   59      3    5    7   23   38   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     K    34_B     K    34_C     34   43   59      8   25   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    35_B     E    35_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     K    36_B     K    36_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     L    37_B     L    37_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    38_B     E    38_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    39_B     E    39_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     V    40_B     V    40_C     34   43   59      7   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     I    41_B     I    41_C     34   43   59     16   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    42_B     E    42_C     34   43   59      8   26   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     G    43_B     G    43_C     33   43   59      8   20   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     L    44_B     L    44_C     13   43   59      8   23   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    45_B     E    45_C     13   43   59      5   21   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     R    46_B     R    46_C     13   43   59      4   13   24   35   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     L    47_B     L    47_C     12   43   59      3    9   16   28   32   42   43   44   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     K    48_B     K    48_C     12   43   59      4   13   19   33   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    49_B     E    49_C     12   43   59      4    9   17   28   32   42   43   44   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    50_B     E    50_C     12   43   59      4    7   14   19   27   34   42   44   47   48   49   53   58   58   59   60   62   63   63   64 
LCS_GDT     V    51_B     V    51_C     11   43   59      4    9   15   21   27   33   39   44   47   48   49   51   58   58   59   60   62   63   63   64 
LCS_GDT     D    52_B     D    52_C      4   34   59      3    3    4   14   24   33   39   44   47   48   49   52   58   58   59   60   62   63   63   64 
LCS_GDT     Q    55_B     Q    55_C      3   33   59      1   13   33   37   39   42   43   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     L    56_B     L    56_C      3    6   59      1    3   13   18   35   38   41   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     N    57_B     N    57_C      3    8   59      0    3    3    7   31   33   41   43   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     M    58_B     M    58_C      3    8   59      2    3    6    9   11   35   39   43   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     N    59_B     N    59_C      5    8   59      0    4    6   15   28   35   39   43   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     L    60_B     L    60_C      5    8   59      3    8   19   34   37   39   42   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     I    61_B     I    61_C      5    8   59      3    8   13   24   35   38   41   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     V    62_B     V    62_C      5    8   59      3   10   25   35   37   39   42   45   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     F    63_B     F    63_C      5    8   59      3    4    6   10   17   25   31   43   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E    64_B     E    64_C      4    8   59      3    4    8   14   18   23   36   43   47   50   52   54   58   58   59   59   60   61   62   64 
LCS_GDT     G    65_B     G    65_C      4    5   59      4    4    4    6   11   17   23   30   39   48   50   52   53   54   58   59   59   60   61   63 
LCS_GDT     L    66_B     L    66_C      4    5   59      4    4    4    6    6   10   15   20   27   38   41   49   51   53   54   56   59   60   60   62 
LCS_GDT     E    67_B     E    67_C      4    8   59      4    4    4    6    8   10   11   12   13   16   16   30   39   43   46   54   56   59   60   62 
LCS_GDT     V    68_B     V    68_C      4    8   59      4    4    4    6    6    8    9   11   13   18   26   29   30   35   42   45   55   57   60   62 
LCS_GDT     D    69_B     D    69_C      4    8   15      4    4    5    6    9   10   11   12   13   16   17   23   30   31   35   42   47   49   58   62 
LCS_GDT     E    70_B     E    70_C      4    8   15      4    4    7    7    9    9    9   11   13   16   16   20   20   23   26   29   34   41   44   45 
LCS_GDT     E    71_B     E    71_C      4    8   15      4    4    7    7    9   10   11   12   13   16   16   20   21   26   29   33   35   41   44   45 
LCS_GDT     G    72_B     G    72_C      4    8   15      3    4    5    6    9   10   11   12   13   16   16   20   20   21   28   31   34   41   44   45 
LCS_GDT     R    73_B     R    73_C      4    8   15      3    4    7    7    9   10   11   12   13   16   16   20   21   37   40   42   47   57   58   61 
LCS_GDT     V    74_B     V    74_C      4    8   61      3    4    7    7    9   10   11   12   19   24   31   36   51   54   55   57   58   60   61   62 
LCS_GDT     W    75_B     W    75_C      3    5   61      3    3    3    4    5    7    8   11   19   26   31   36   51   54   55   57   59   60   61   62 
LCS_GDT     F    76_B     F    76_C      3    5   61      3    3    3    4    5    7    8    8   19   25   32   48   51   54   55   57   59   60   62   64 
LCS_GDT     I    77_B     I    77_C      3    5   61      3    3    3    3    5    7   19   26   39   43   47   50   52   54   55   57   59   60   61   62 
LCS_GDT     V    78_B     V    78_C      3    4   61      3    4    5    6    8    9   10   12   29   33   36   48   51   54   55   57   59   60   62   64 
LCS_GDT     K    79_B     K    79_C      3    4   61      3    4    4    4    5    6    9   15   20   24   36   42   51   54   55   57   59   60   62   62 
LCS_GDT     E    80_B     E    80_C      3    4   61      3    4    6    8   12   20   26   38   43   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     M    81_B     M    81_C      3    4   61      3    3    3    4   15   24   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     L    82_B     L    82_C      3    4   61      3    3    3    5    8   22   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     H    83_B     H    83_C      3    3   61      3    3    4    5   16   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     A    84_B     A    84_C      4    4   61      3    3   10   14   17   17   26   37   44   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     T    85_B     T    85_C      4    4   61      3    3    4    4    4    5    8   11   17   37   46   50   53   54   55   56   59   60   61   62 
LCS_GDT     T    86_B     T    86_C      4    4   61      3    4    4    4    4    5    8   11   21   45   49   51   53   54   55   56   59   60   61   62 
LCS_GDT     E    87_B     E    87_C      4    4   61      3    7   13   15   18   19   19   23   31   35   38   50   53   53   55   56   57   59   61   62 
LCS_GDT     E    88_B     E    88_C      4    4   61      5    9   16   17   18   19   21   27   31   35   44   50   53   54   55   56   59   60   61   62 
LCS_GDT     E    89_B     E    89_C      4   28   61      3    4    6   12   19   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     A    90_B     A    90_C     24   28   61      8   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     L    91_B     L    91_C     24   28   61     10   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     E    92_B     E    92_C     24   28   61     10   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     N    93_B     N    93_C     24   28   61     10   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     M    94_B     M    94_C     24   28   61      7   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     D    95_B     D    95_C     24   28   61      7   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     K    96_B     K    96_C     24   28   61     10   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     F    97_B     F    97_C     24   28   61     10   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     L    98_B     L    98_C     24   28   61     10   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     E    99_B     E    99_C     24   28   61     10   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     S   100_B     S   100_C     24   28   61      7   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     W   101_B     W   101_C     24   28   61     10   19   24   24   27   27   33   40   45   49   50   51   53   54   59   59   60   61   63   64 
LCS_GDT     E   102_B     E   102_C     24   28   61     10   19   24   24   27   32   36   44   47   49   50   53   58   58   59   60   62   63   63   64 
LCS_GDT     K   103_B     K   103_C     24   28   61     10   19   24   24   30   38   42   44   47   49   50   53   55   58   59   60   62   63   63   64 
LCS_GDT     V   104_B     V   104_C     24   28   61      6   19   24   24   27   27   33   40   45   49   50   51   53   56   59   60   62   63   63   64 
LCS_GDT     F   105_B     F   105_C     24   28   61      7   19   24   24   27   36   41   43   47   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     K   106_B     K   106_C     24   28   61      5   19   24   24   27   27   38   43   46   50   52   54   58   58   59   60   62   63   63   64 
LCS_GDT     E   107_B     E   107_C     24   28   61      6   19   24   24   27   27   33   40   45   49   50   51   53   54   57   60   62   63   63   64 
LCS_GDT     L   108_B     L   108_C     24   28   61      6   19   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   63   64 
LCS_GDT     L   109_B     L   109_C     24   28   61      6   16   24   24   27   27   30   39   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     E   110_B     E   110_C     24   28   61      6   16   24   24   27   27   31   39   44   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     Y   111_B     Y   111_C     24   28   61      6   16   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     H   112_B     H   112_C     24   28   61      5   16   24   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     F   113_B     F   113_C     24   28   61      5   15   24   24   27   27   29   34   43   47   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     E   114_B     E   114_C     19   28   61      6   12   17   22   27   27   30   35   41   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     H   115_B     H   115_C     19   28   61      6   12   17   24   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     N   116_B     N   116_C     14   28   61      0    7   12   19   27   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     S   119_B     S   119_C      4   17   61      3    3    6   12   19   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     P   120_B     P   120_C     15   17   61      5   13   16   17   19   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     T   121_B     T   121_C     15   17   61      6   13   16   17   18   21   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     F   122_B     F   122_C     15   17   61      6   13   16   17   19   24   32   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     D   123_B     D   123_C     15   17   61      6   13   16   17   18   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     F   124_B     F   124_C     15   17   61      6   13   16   17   18   27   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     F   125_B     F   125_C     15   17   61      6   13   16   17   18   27   33   40   45   49   50   51   53   54   55   57   60   63   63   64 
LCS_GDT     L   126_B     L   126_C     15   17   61      6   13   16   17   18   21   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     D   127_B     D   127_C     15   17   61      6   13   16   17   18   19   33   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     F   128_B     F   128_C     15   17   61      6   13   16   17   18   27   33   40   45   49   50   51   53   54   55   59   62   63   63   64 
LCS_GDT     L   129_B     L   129_C     15   17   61      6   13   16   17   18   27   33   40   45   49   50   51   53   54   55   59   62   63   63   64 
LCS_GDT     W   130_B     W   130_C     15   17   61      6   13   16   17   18   19   25   39   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     W   131_B     W   131_C     15   17   61      6   13   16   17   18   19   25   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     Q   132_B     Q   132_C     15   17   61      4   13   16   17   18   25   33   40   45   49   50   51   53   54   55   57   59   60   61   63 
LCS_GDT     L   133_B     L   133_C     15   17   61      4    9   16   17   18   19   25   39   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     Y   134_B     Y   134_C     15   17   61      5    8   16   17   18   19   25   39   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     G   135_B     G   135_C     14   17   61      3    7   13   17   18   19   29   40   45   49   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     E   136_B     E   136_C      3    5   61      3    3    4    4    5   11   15   29   40   46   50   51   53   54   55   57   59   60   61   62 
LCS_GDT     P   137_B     P   137_C      3    5   61      3    3    4    4    4    5    8    9   13   24   27   39   44   51   55   56   57   58   59   61 
LCS_GDT     M   138_B     M   138_C      3    5   60      3    3    3    3    4    5    5    6   11   11   13   16   17   20   23   27   29   34   39   53 
LCS_AVERAGE  LCS_A:  26.82  (  14.43   20.14   45.87 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     16     26     33     37     39     42     43     45     47     50     52     54     58     58     59     60     62     63     63     64 
GDT PERCENT_AT  12.60  20.47  25.98  29.13  30.71  33.07  33.86  35.43  37.01  39.37  40.94  42.52  45.67  45.67  46.46  47.24  48.82  49.61  49.61  50.39
GDT RMS_LOCAL    0.37   0.63   0.86   1.05   1.21   1.61   1.63   1.84   2.20   2.45   2.68   2.93   3.44   3.41   3.54   3.81   4.18   4.38   4.30   4.61
GDT RMS_ALL_AT  17.66  17.71  17.68  17.67  17.64  17.62  17.62  17.77  17.66  17.93  17.88  17.82  17.74  17.66  17.70  17.63  17.64  17.68  17.62  17.70

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_C
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    13_B      E    13_C
#   possible swapping detected:  E    16_B      E    16_C
#   possible swapping detected:  E    20_B      E    20_C
#   possible swapping detected:  E    23_B      E    23_C
#   possible swapping detected:  E    27_B      E    27_C
#   possible swapping detected:  E    38_B      E    38_C
#   possible swapping detected:  E    39_B      E    39_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    50_B      E    50_C
#   possible swapping detected:  D    52_B      D    52_C
#   possible swapping detected:  E    64_B      E    64_C
#   possible swapping detected:  E    70_B      E    70_C
#   possible swapping detected:  E    71_B      E    71_C
#   possible swapping detected:  E    92_B      E    92_C
#   possible swapping detected:  D    95_B      D    95_C
#   possible swapping detected:  F   105_B      F   105_C
#   possible swapping detected:  E   107_B      E   107_C
#   possible swapping detected:  Y   111_B      Y   111_C
#   possible swapping detected:  F   124_B      F   124_C
#   possible swapping detected:  D   127_B      D   127_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     2.675     0    0.528   0.541     5.337   60.952   47.551
LGA    I     3_B      I     3_C     2.063     0    0.121   0.645     3.993   68.810   64.107
LGA    Q     4_B      Q     4_C     1.386     0    0.050   0.900     5.245   79.286   63.175
LGA    E     5_B      E     5_C     0.501     0    0.036   0.903     2.395   95.238   82.222
LGA    E     6_B      E     6_C     0.576     0    0.058   0.070     0.607   90.476   93.651
LGA    I     7_B      I     7_C     0.895     0    0.054   0.098     1.541   90.476   84.881
LGA    Q     8_B      Q     8_C     0.715     0    0.057   1.295     5.480   90.476   65.767
LGA    K     9_B      K     9_C     0.579     0    0.033   0.929     4.929   90.476   78.413
LGA    K    10_B      K    10_C     0.830     0    0.084   0.678     1.838   88.214   83.545
LGA    V    11_B      V    11_C     0.463     0    0.095   0.110     1.006   95.238   91.905
LGA    R    12_B      R    12_C     0.296     0    0.134   1.034     5.553   95.238   70.649
LGA    E    13_B      E    13_C     0.993     0    0.156   0.293     3.215   95.238   75.873
LGA    L    14_B      L    14_C     0.504     0    0.062   0.969     3.101   95.238   84.583
LGA    L    15_B      L    15_C     0.189     0    0.050   1.412     3.622  100.000   80.476
LGA    E    16_B      E    16_C     0.492     0    0.109   0.255     0.781   95.238   96.825
LGA    K    17_B      K    17_C     0.790     0    0.056   0.153     3.438   92.857   77.513
LGA    L    18_B      L    18_C     0.451     0    0.071   1.386     3.292   97.619   83.571
LGA    I    19_B      I    19_C     0.880     0    0.064   0.684     1.966   92.857   83.929
LGA    E    20_B      E    20_C     1.024     0    0.069   0.193     2.798   88.214   76.243
LGA    Y    21_B      Y    21_C     0.695     0    0.067   0.685     4.970   90.476   67.540
LGA    L    22_B      L    22_C     0.545     0    0.087   0.188     1.914   92.857   87.202
LGA    E    23_B      E    23_C     0.537     0    0.039   0.206     0.770   92.857   95.767
LGA    E    24_B      E    24_C     0.863     0    0.071   1.160     5.577   85.952   61.058
LGA    L    25_B      L    25_C     1.196     0    0.124   1.381     4.446   83.690   70.952
LGA    K    26_B      K    26_C     1.532     0    0.627   0.543     3.248   69.286   64.392
LGA    E    27_B      E    27_C     3.136     0    0.588   0.471     7.936   51.786   32.116
LGA    K    34_B      K    34_C     1.718     0    0.272   0.699     2.354   79.286   73.016
LGA    E    35_B      E    35_C     1.271     0    0.055   1.209     4.669   81.429   62.593
LGA    K    36_B      K    36_C     1.213     0    0.041   1.358     8.218   85.952   59.101
LGA    L    37_B      L    37_C     0.844     0    0.060   0.368     1.224   88.214   89.405
LGA    E    38_B      E    38_C     0.916     0    0.027   0.098     1.182   90.476   87.460
LGA    E    39_B      E    39_C     0.680     0    0.017   0.790     3.679   90.476   78.677
LGA    V    40_B      V    40_C     1.221     0    0.031   0.143     2.294   85.952   79.184
LGA    I    41_B      I    41_C     0.854     0    0.042   0.043     1.935   95.238   86.190
LGA    E    42_B      E    42_C     0.615     0    0.131   0.174     2.081   88.214   83.651
LGA    G    43_B      G    43_C     1.726     0    0.028   0.028     2.709   73.333   73.333
LGA    L    44_B      L    44_C     1.451     0    0.052   1.209     3.767   77.143   69.405
LGA    E    45_B      E    45_C     1.766     0    0.098   1.057     4.465   63.690   59.524
LGA    R    46_B      R    46_C     3.983     0    0.071   0.818     6.173   38.333   30.952
LGA    L    47_B      L    47_C     5.283     0    0.083   1.346     6.378   27.738   25.833
LGA    K    48_B      K    48_C     3.996     0    0.077   1.248     7.677   34.524   33.651
LGA    E    49_B      E    49_C     6.029     0    0.208   0.670     7.954   15.119   16.296
LGA    E    50_B      E    50_C     7.949     0    0.213   0.866    11.948    7.500    3.915
LGA    V    51_B      V    51_C     7.837     0    0.127   0.200     7.939    7.857    7.551
LGA    D    52_B      D    52_C     7.722     0    0.157   0.267     8.325    5.952    7.619
LGA    Q    55_B      Q    55_C     3.221     0    0.616   1.314    10.776   66.310   34.709
LGA    L    56_B      L    56_C     4.293     0    0.583   1.438     9.631   35.476   21.726
LGA    N    57_B      N    57_C     5.818     0    0.648   0.722     9.171   19.405   12.976
LGA    M    58_B      M    58_C     5.751     0    0.612   0.604     6.462   21.548   22.202
LGA    N    59_B      N    59_C     4.942     0    0.025   1.041     9.321   39.048   22.440
LGA    L    60_B      L    60_C     3.144     0    0.618   0.582     8.420   48.333   33.036
LGA    I    61_B      I    61_C     4.268     0    0.269   0.388    10.872   43.452   24.881
LGA    V    62_B      V    62_C     2.993     0    0.057   0.986     4.372   48.452   45.374
LGA    F    63_B      F    63_C     6.020     0    0.184   1.414    11.625   18.929    7.229
LGA    E    64_B      E    64_C     7.271     0    0.460   1.499    13.996    9.167    4.656
LGA    G    65_B      G    65_C    10.047     0    0.534   0.534    10.047    2.262    2.262
LGA    L    66_B      L    66_C    12.887     0    0.077   1.091    18.555    0.000    0.000
LGA    E    67_B      E    67_C    15.887     0    0.271   0.973    17.628    0.000    0.000
LGA    V    68_B      V    68_C    21.908     0    0.402   0.548    24.588    0.000    0.000
LGA    D    69_B      D    69_C    21.571     0    0.058   1.136    23.055    0.000    0.000
LGA    E    70_B      E    70_C    22.995     0    0.203   0.796    24.805    0.000    0.000
LGA    E    71_B      E    71_C    25.286     0    0.665   0.655    30.487    0.000    0.000
LGA    G    72_B      G    72_C    21.415     0    0.088   0.088    22.944    0.000    0.000
LGA    R    73_B      R    73_C    21.166     0    0.640   1.054    27.121    0.000    0.000
LGA    V    74_B      V    74_C    16.698     0    0.618   0.824    18.190    0.000    0.000
LGA    W    75_B      W    75_C    11.141     0    0.349   0.965    15.072    0.000    0.204
LGA    F    76_B      F    76_C    10.151     0    0.385   1.239    13.431    0.119    0.216
LGA    I    77_B      I    77_C    13.796     0    0.506   0.725    17.264    0.000    0.000
LGA    V    78_B      V    78_C    12.705     0    0.624   1.347    15.618    0.000    0.000
LGA    K    79_B      K    79_C    15.130     0    0.131   1.170    19.338    0.000    0.000
LGA    E    80_B      E    80_C    20.004     0    0.572   1.424    27.346    0.000    0.000
LGA    M    81_B      M    81_C    22.274     0    0.615   0.705    26.140    0.000    0.000
LGA    L    82_B      L    82_C    24.189     0    0.549   0.559    26.574    0.000    0.000
LGA    H    83_B      H    83_C    27.631     0    0.577   0.413    31.899    0.000    0.000
LGA    A    84_B      A    84_C    32.105     0    0.606   0.594    35.450    0.000    0.000
LGA    T    85_B      T    85_C    37.512     0    0.071   0.090    40.208    0.000    0.000
LGA    T    86_B      T    86_C    39.338     0    0.614   0.962    39.472    0.000    0.000
LGA    E    87_B      E    87_C    39.873     0    0.065   0.829    40.472    0.000    0.000
LGA    E    88_B      E    88_C    41.738     0    0.121   1.429    46.756    0.000    0.000
LGA    E    89_B      E    89_C    40.146     0    0.495   0.941    44.782    0.000    0.000
LGA    A    90_B      A    90_C    37.756     0    0.539   0.528    38.682    0.000    0.000
LGA    L    91_B      L    91_C    35.864     0    0.030   1.057    40.216    0.000    0.000
LGA    E    92_B      E    92_C    35.022     0    0.031   0.956    42.081    0.000    0.000
LGA    N    93_B      N    93_C    31.346     0    0.061   1.054    36.208    0.000    0.000
LGA    M    94_B      M    94_C    26.896     0    0.063   1.200    29.104    0.000    0.000
LGA    D    95_B      D    95_C    25.799     0    0.096   1.463    28.960    0.000    0.000
LGA    K    96_B      K    96_C    24.145     0    0.038   0.695    28.286    0.000    0.000
LGA    F    97_B      F    97_C    20.811     0    0.075   1.094    22.558    0.000    0.000
LGA    L    98_B      L    98_C    16.203     0    0.032   1.412    18.338    0.000    0.000
LGA    E    99_B      E    99_C    14.909     0    0.053   1.027    22.287    0.000    0.000
LGA    S   100_B      S   100_C    14.617     0    0.103   0.091    17.013    0.000    0.000
LGA    W   101_B      W   101_C     9.563     0    0.060   1.597    11.734    7.976    9.218
LGA    E   102_B      E   102_C     6.099     0    0.030   1.319     9.096   21.905   13.122
LGA    K   103_B      K   103_C     7.508     0    0.059   0.760    15.406    8.690    3.862
LGA    V   104_B      V   104_C     9.541     0    0.060   0.059    12.771    2.024    1.156
LGA    F   105_B      F   105_C     6.374     0    0.245   1.308     8.844   11.786   25.152
LGA    K   106_B      K   106_C     7.581     0    0.090   0.608    11.804    6.190   13.333
LGA    E   107_B      E   107_C    12.952     0    0.096   1.110    16.674    0.000    0.000
LGA    L   108_B      L   108_C    15.008     0    0.052   1.376    18.242    0.000    0.000
LGA    L   109_B      L   109_C    15.875     0    0.049   0.968    20.109    0.000    0.000
LGA    E   110_B      E   110_C    18.522     0    0.068   1.010    23.118    0.000    0.000
LGA    Y   111_B      Y   111_C    23.268     0    0.028   1.291    28.346    0.000    0.000
LGA    H   112_B      H   112_C    24.982     0    0.047   0.581    28.950    0.000    0.000
LGA    F   113_B      F   113_C    28.009     0    0.068   0.992    31.982    0.000    0.000
LGA    E   114_B      E   114_C    30.435     0    0.121   1.072    35.129    0.000    0.000
LGA    H   115_B      H   115_C    34.488     0    0.018   1.253    38.425    0.000    0.000
LGA    N   116_B      N   116_C    36.018     0    0.496   1.074    39.850    0.000    0.000
LGA    S   119_B      S   119_C    32.956     0    0.594   0.765    34.254    0.000    0.000
LGA    P   120_B      P   120_C    28.798     0    0.296   0.592    32.317    0.000    0.000
LGA    T   121_B      T   121_C    23.056     0    0.096   0.094    25.725    0.000    0.000
LGA    F   122_B      F   122_C    21.059     0    0.115   1.398    22.577    0.000    0.000
LGA    D   123_B      D   123_C    23.614     0    0.066   1.190    28.941    0.000    0.000
LGA    F   124_B      F   124_C    19.330     0    0.079   1.394    21.213    0.000    0.000
LGA    F   125_B      F   125_C    13.275     0    0.059   0.264    15.876    0.000    3.939
LGA    L   126_B      L   126_C    15.845     0    0.082   1.327    21.678    0.000    0.000
LGA    D   127_B      D   127_C    19.503     0    0.060   0.333    25.862    0.000    0.000
LGA    F   128_B      F   128_C    13.175     0    0.078   0.149    15.218    0.000    9.697
LGA    L   129_B      L   129_C    11.825     0    0.080   1.339    15.397    0.000    1.667
LGA    W   130_B      W   130_C    19.441     0    0.035   1.403    28.041    0.000    0.000
LGA    W   131_B      W   131_C    19.117     0    0.043   0.259    20.202    0.000    0.000
LGA    Q   132_B      Q   132_C    15.076     0    0.124   0.734    17.991    0.000    0.159
LGA    L   133_B      L   133_C    19.714     0    0.056   1.424    23.954    0.000    0.000
LGA    Y   134_B      Y   134_C    25.683     0    0.132   1.086    28.233    0.000    0.000
LGA    G   135_B      G   135_C    23.907     0    0.221   0.221    24.156    0.000    0.000
LGA    E   136_B      E   136_C    21.437     0    0.586   0.937    22.361    0.000    0.000
LGA    P   137_B      P   137_C    20.011     0    0.544   0.633    21.233    0.000    0.000
LGA    M   138_B      M   138_C    24.205     0    0.604   1.651    27.686    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):    17.295         17.171                 17.634           30.052   26.020

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0     45    1.84    33.071    30.848     2.317

LGA_LOCAL      RMSD:   1.842  Number of atoms:   45  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.772  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:  17.295  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.840232 * X  +   0.518524 * Y  +   0.158568 * Z  +  25.468679
  Y_new =   0.338147 * X  +   0.272477 * Y  +   0.900785 * Z  +   1.164378
  Z_new =   0.423872 * X  +   0.810487 * Y  +  -0.404281 * Z  +  67.873062 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.758981 -0.437716  2.033494   [DEG:  158.0779  -25.0793  116.5106 ]
ZXZ:  2.967345  1.986989  0.481866   [DEG:  170.0163  113.8461   27.6089 ]
 
# END of job
