
#######################################################
#                                                     #
#                        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:    48       2_C - 57_C        4.83    28.02
  LCS_AVERAGE:     32.52

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      89_C - 116_C       1.50    18.50
  LCS_AVERAGE:     14.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      90_C - 116_C       0.93    18.36
  LCS_AVERAGE:     12.80

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   26   48      4    5   18   24   25   27   27   28   41   44   44   45   45   45   45   46   46   46   47   48 
LCS_GDT     I     3_B     I     3_C     25   26   48      4   13   21   24   25   27   27   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     Q     4_B     Q     4_C     25   26   48      8   20   23   24   25   27   27   30   40   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     E     5_B     E     5_C     25   26   48     12   20   23   24   25   27   27   31   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     E     6_B     E     6_C     25   26   48     12   20   23   24   25   27   27   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     I     7_B     I     7_C     25   26   48     12   20   23   24   25   27   27   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     Q     8_B     Q     8_C     25   26   48     12   20   23   24   25   27   27   29   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     K     9_B     K     9_C     25   26   48     12   20   23   24   25   27   27   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     K    10_B     K    10_C     25   26   48      9   20   23   24   25   27   27   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     V    11_B     V    11_C     25   26   48     12   20   23   24   25   27   27   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     R    12_B     R    12_C     25   26   48     12   20   23   24   25   27   27   34   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     E    13_B     E    13_C     25   26   48     11   20   23   24   25   27   27   35   41   44   44   45   45   45   45   46   46   47   49   51 
LCS_GDT     L    14_B     L    14_C     25   26   48     11   20   23   24   25   27   27   35   41   44   44   45   45   45   45   46   49   51   56   57 
LCS_GDT     L    15_B     L    15_C     25   26   48     12   20   23   24   25   27   27   35   41   44   44   45   45   45   45   48   50   52   56   57 
LCS_GDT     E    16_B     E    16_C     25   26   48     12   20   23   24   25   27   27   35   41   44   44   45   45   45   45   47   50   52   54   56 
LCS_GDT     K    17_B     K    17_C     25   26   48     12   20   23   24   25   27   27   35   41   44   44   45   45   45   45   48   50   52   56   57 
LCS_GDT     L    18_B     L    18_C     25   26   48     11   20   23   24   26   27   28   35   41   44   44   45   45   45   45   49   50   52   56   57 
LCS_GDT     I    19_B     I    19_C     25   26   48     12   20   23   24   25   27   27   35   41   44   44   45   45   45   45   48   50   52   54   56 
LCS_GDT     E    20_B     E    20_C     25   26   48     12   20   23   24   25   27   28   35   41   44   44   45   45   45   45   48   50   52   54   56 
LCS_GDT     Y    21_B     Y    21_C     25   26   48     11   20   23   24   25   27   27   30   41   44   44   45   45   45   45   48   50   52   54   56 
LCS_GDT     L    22_B     L    22_C     25   26   48     11   20   23   24   25   27   27   35   41   44   44   45   45   45   45   46   46   50   52   55 
LCS_GDT     E    23_B     E    23_C     25   26   48     11   20   23   24   25   27   27   35   41   44   44   45   45   45   45   46   46   47   52   55 
LCS_GDT     E    24_B     E    24_C     25   26   48      6   20   23   24   25   27   27   30   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     L    25_B     L    25_C     25   26   48      6   15   23   24   25   27   27   28   31   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     K    26_B     K    26_C     25   26   48     11   20   23   24   25   27   27   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     E    27_B     E    27_C     25   26   48      3    3    4   13   23   27   27   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     K    34_B     K    34_C     18   20   48     12   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     E    35_B     E    35_C     18   20   48     12   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     K    36_B     K    36_C     18   20   48     12   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     L    37_B     L    37_C     18   20   48     12   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     E    38_B     E    38_C     18   20   48     12   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     E    39_B     E    39_C     18   20   48     12   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   46   47   47   48 
LCS_GDT     V    40_B     V    40_C     18   20   48     12   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   46   47   47   51 
LCS_GDT     I    41_B     I    41_C     18   20   48     12   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   46   47   47   51 
LCS_GDT     E    42_B     E    42_C     18   20   48     12   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   46   47   47   51 
LCS_GDT     G    43_B     G    43_C     18   20   48     12   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   48   51   53   55 
LCS_GDT     L    44_B     L    44_C     18   20   48     12   16   19   19   19   21   29   35   41   44   44   45   45   45   45   46   48   51   54   56 
LCS_GDT     E    45_B     E    45_C     18   20   48     12   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   46   51   54   56 
LCS_GDT     R    46_B     R    46_C     18   20   48     12   16   24   26   26   28   29   35   41   44   44   45   45   45   45   46   48   51   53   55 
LCS_GDT     L    47_B     L    47_C     18   20   48      6   16   19   19   19   21   27   35   41   44   44   45   45   45   45   46   48   51   53   56 
LCS_GDT     K    48_B     K    48_C     18   20   48      6   16   19   19   19   21   25   35   41   44   44   45   45   45   45   48   50   52   56   57 
LCS_GDT     E    49_B     E    49_C     18   20   48      5   16   19   19   19   21   25   35   41   44   44   45   45   45   45   48   50   52   54   57 
LCS_GDT     E    50_B     E    50_C     18   20   48      4   16   19   19   19   21   25   35   41   44   44   45   45   45   45   46   46   48   53   56 
LCS_GDT     V    51_B     V    51_C     18   20   48      4   12   19   19   19   21   25   35   41   44   44   45   45   45   45   46   49   50   53   56 
LCS_GDT     D    52_B     D    52_C      4   20   48      3    3    4   10   18   21   21   24   33   40   43   45   45   45   45   47   49   50   53   56 
LCS_GDT     Q    55_B     Q    55_C      3   20   48      0    3    3   10   18   18   19   22   23   28   34   36   39   43   45   46   46   47   47   48 
LCS_GDT     L    56_B     L    56_C      3    7   48      0    3    3    4    7   12   15   18   20   22   27   29   34   38   42   43   46   47   47   48 
LCS_GDT     N    57_B     N    57_C      3    7   48      1    3    3    6    7   27   27   27   27   27   28   32   36   39   42   43   46   47   47   48 
LCS_GDT     M    58_B     M    58_C      4    7   29      0    4    4    6    7    8    9   10   13   22   28   31   31   33   34   36   39   44   46   47 
LCS_GDT     N    59_B     N    59_C      4    7   28      3    4    4    5    8   11   14   28   28   29   31   31   31   33   34   36   39   44   46   47 
LCS_GDT     L    60_B     L    60_C      4    7   28      3    4    4    6    9   12   14   28   28   29   31   31   31   33   34   36   39   44   46   47 
LCS_GDT     I    61_B     I    61_C      4    7   28      3    4    4    6    8   11   12   15   18   21   31   31   31   33   33   36   39   44   46   47 
LCS_GDT     V    62_B     V    62_C      4    7   28      2    3    5    6    7    8   10   13   14   16   20   24   25   30   31   34   39   44   46   47 
LCS_GDT     F    63_B     F    63_C      4    7   28      3    3    5    6    7    9   10   13   14   16   18   20   27   30   31   36   39   44   46   47 
LCS_GDT     E    64_B     E    64_C      4    7   27      3    3    5    5    6    9   10   13   14   16   19   20   24   26   29   34   38   39   46   47 
LCS_GDT     G    65_B     G    65_C      4    6   24      3    3    5    5    5    9   10   11   14   15   18   19   21   24   40   45   48   49   50   53 
LCS_GDT     L    66_B     L    66_C      4    6   21      3    3    5    5    5    6    6    8    8   13   16   18   23   26   43   45   48   49   50   55 
LCS_GDT     E    67_B     E    67_C      3    5   12      3    3    4    7   12   26   29   31   34   37   38   39   40   42   44   46   48   51   53   55 
LCS_GDT     V    68_B     V    68_C      3    5   12      3    3    4    4   18   27   29   31   34   37   38   39   40   41   43   46   48   51   53   55 
LCS_GDT     D    69_B     D    69_C      4    4   12      3    3    6   12   16   21   24   30   34   37   38   39   40   41   43   46   48   51   53   55 
LCS_GDT     E    70_B     E    70_C      4    4   12      3    3    4    4    4    6    7    7    8   11   21   29   33   37   41   41   43   50   52   55 
LCS_GDT     E    71_B     E    71_C      4    4   12      3    3    4    4    4    6    7    7    8    9   10   13   20   37   38   38   40   43   45   55 
LCS_GDT     G    72_B     G    72_C      4    4   12      3    3    4    4    5    6    7    9   10   12   21   29   33   37   38   38   40   43   45   53 
LCS_GDT     R    73_B     R    73_C      3    4   44      3    4    4    5    6    6    7   11   12   16   21   29   33   37   38   38   40   43   52   55 
LCS_GDT     V    74_B     V    74_C      3    4   44      1    4    4    5    6    6    8   11   12   16   27   29   33   37   42   45   46   51   53   55 
LCS_GDT     W    75_B     W    75_C      3    3   44      3    4    4    5    6   20   22   27   28   32   38   39   40   41   43   46   48   51   53   55 
LCS_GDT     F    76_B     F    76_C      3    3   44      3    3    3    3    3    4   16   19   28   37   38   39   40   41   43   46   48   51   53   55 
LCS_GDT     I    77_B     I    77_C      3    3   44      3    3    3    5   10   20   22   27   34   37   38   39   40   41   43   46   48   51   53   55 
LCS_GDT     V    78_B     V    78_C      3    4   44      3    3    5   16   17   21   26   31   34   37   38   39   40   41   43   46   48   51   53   55 
LCS_GDT     K    79_B     K    79_C      3    4   44      3    3    5    5    5    5    5   19   20   20   34   34   39   40   43   44   45   48   49   52 
LCS_GDT     E    80_B     E    80_C      3    4   44      3    3    5   11   16   26   27   32   34   37   38   39   40   41   43   44   48   51   53   55 
LCS_GDT     M    81_B     M    81_C      3    4   44      3    3    5    5   25   28   29   32   34   37   38   39   40   42   44   46   48   51   53   55 
LCS_GDT     L    82_B     L    82_C      3    4   44      3    3    4    8   13   18   26   32   34   37   38   39   40   42   44   46   48   51   53   56 
LCS_GDT     H    83_B     H    83_C      3    3   44      3    4    5    9   14   19   27   32   34   36   38   39   40   42   44   45   48   51   53   55 
LCS_GDT     A    84_B     A    84_C      3    4   44      3    3    4    9   14   17   25   31   33   35   36   39   40   42   44   46   48   51   56   57 
LCS_GDT     T    85_B     T    85_C      3    4   44      3    3    4    4    4    5    7   11   16   19   24   33   39   42   44   45   48   51   56   57 
LCS_GDT     T    86_B     T    86_C      4    4   44      3    4    4    4    4    5    7   13   20   31   34   36   39   42   44   45   48   51   56   57 
LCS_GDT     E    87_B     E    87_C      4    4   44      3    4    4    8    9   13   19   23   28   31   35   37   39   44   45   49   49   52   56   57 
LCS_GDT     E    88_B     E    88_C      4    4   44      3    6    6    7   12   14   17   26   28   32   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     E    89_B     E    89_C      4   28   44      3    6    8   12   16   27   29   32   34   37   38   39   40   44   45   49   49   52   56   57 
LCS_GDT     A    90_B     A    90_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     L    91_B     L    91_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     E    92_B     E    92_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     N    93_B     N    93_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     M    94_B     M    94_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     D    95_B     D    95_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     K    96_B     K    96_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     F    97_B     F    97_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     L    98_B     L    98_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     E    99_B     E    99_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     S   100_B     S   100_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     W   101_B     W   101_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     E   102_B     E   102_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     K   103_B     K   103_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     V   104_B     V   104_C     27   28   44      9   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     F   105_B     F   105_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     K   106_B     K   106_C     27   28   44     16   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     E   107_B     E   107_C     27   28   44     12   24   25   26   27   28   29   32   34   37   38   39   40   44   45   49   50   52   56   57 
LCS_GDT     L   108_B     L   108_C     27   28   44      8   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     L   109_B     L   109_C     27   28   44      9   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     E   110_B     E   110_C     27   28   44      9   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     Y   111_B     Y   111_C     27   28   44      9   24   25   26   27   28   29   32   34   37   38   39   40   42   45   49   49   51   56   57 
LCS_GDT     H   112_B     H   112_C     27   28   44      9   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   49   51   56   57 
LCS_GDT     F   113_B     F   113_C     27   28   44      9   24   25   26   27   28   29   32   34   37   38   39   42   44   45   49   50   52   56   57 
LCS_GDT     E   114_B     E   114_C     27   28   44      9   18   25   26   27   28   29   32   34   37   38   39   40   42   45   49   49   51   56   57 
LCS_GDT     H   115_B     H   115_C     27   28   44      3   12   24   26   27   28   29   32   34   37   38   39   40   42   44   46   48   51   53   55 
LCS_GDT     N   116_B     N   116_C     27   28   44      3    4   14   26   27   28   29   32   34   37   38   39   42   44   45   49   49   51   56   57 
LCS_GDT     S   119_B     S   119_C      3   17   44      4    5    6    7   10   13   19   22   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     P   120_B     P   120_C     11   17   39      6   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     T   121_B     T   121_C     11   17   39      7   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     F   122_B     F   122_C     14   17   39      7   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     D   123_B     D   123_C     14   17   39      7   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     F   124_B     F   124_C     14   17   39      7   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     F   125_B     F   125_C     14   17   39      7   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     L   126_B     L   126_C     14   17   39      7   10   15   16   18   19   21   24   28   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     D   127_B     D   127_C     14   17   39      7   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     F   128_B     F   128_C     14   17   39      4   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     L   129_B     L   129_C     14   17   39      4   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     W   130_B     W   130_C     14   17   39      4   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     W   131_B     W   131_C     14   17   39      4   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     Q   132_B     Q   132_C     14   17   39      4   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     L   133_B     L   133_C     14   17   37      4   10   15   16   18   19   21   24   26   29   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     Y   134_B     Y   134_C     14   17   22      4   10   15   16   18   19   21   24   26   29   34   37   42   44   45   49   50   52   56   57 
LCS_GDT     G   135_B     G   135_C     14   17   22      4   10   15   16   18   19   21   24   26   29   34   37   42   44   45   49   50   52   56   57 
LCS_GDT     E   136_B     E   136_C      5    5   20      3    4    5    7    8   11   13   18   21   25   35   37   42   44   45   49   50   52   56   57 
LCS_GDT     P   137_B     P   137_C      5    5   20      3    4    5    7    8   11   13   14   15   17   19   28   30   32   43   49   49   51   56   57 
LCS_GDT     M   138_B     M   138_C      5    5   20      3    4    5    7    8   11   13   14   15   17   19   20   21   24   25   30   30   33   37   50 
LCS_AVERAGE  LCS_A:  19.91  (  12.80   14.42   32.52 )

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     24     25     26     27     28     29     35     41     44     44     45     45     45     45     49     50     52     56     57 
GDT PERCENT_AT  12.60  18.90  19.69  20.47  21.26  22.05  22.83  27.56  32.28  34.65  34.65  35.43  35.43  35.43  35.43  38.58  39.37  40.94  44.09  44.88
GDT RMS_LOCAL    0.28   0.62   0.68   0.78   0.93   1.27   1.40   3.26   3.53   3.67   3.67   3.74   3.74   3.74   3.74   5.73   5.61   5.80   6.56   6.67
GDT RMS_ALL_AT  18.12  18.20  18.24  18.37  18.36  17.94  17.97  28.86  28.93  28.80  28.80  28.76  28.76  28.76  28.76  19.97  19.04  18.89  19.13  18.91

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    13_B      E    13_C
#   possible swapping detected:  E    27_B      E    27_C
#   possible swapping detected:  E    35_B      E    35_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    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:  D    69_B      D    69_C
#   possible swapping detected:  E    92_B      E    92_C
#   possible swapping detected:  F    97_B      F    97_C
#   possible swapping detected:  E    99_B      E    99_C
#   possible swapping detected:  F   113_B      F   113_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:  Y   134_B      Y   134_C
#   possible swapping detected:  E   136_B      E   136_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     5.857     0    0.587   0.861    10.112   30.357   19.660
LGA    I     3_B      I     3_C     1.454     0    0.051   0.609     5.939   67.143   49.762
LGA    Q     4_B      Q     4_C     6.435     0    0.031   1.098    10.366   21.786   10.265
LGA    E     5_B      E     5_C     6.055     0    0.065   1.276    11.222   27.976   13.598
LGA    E     6_B      E     6_C     1.978     0    0.054   0.113     8.479   77.381   46.349
LGA    I     7_B      I     7_C     3.678     0    0.024   0.057     8.373   50.714   31.667
LGA    Q     8_B      Q     8_C     6.057     0    0.039   1.442    10.834   26.548   13.439
LGA    K     9_B      K     9_C     4.407     0    0.026   1.303    14.160   45.357   23.651
LGA    K    10_B      K    10_C     1.799     0    0.084   0.797    11.242   72.976   40.476
LGA    V    11_B      V    11_C     4.229     0    0.098   0.114     7.791   45.238   31.224
LGA    R    12_B      R    12_C     4.898     0    0.110   1.172    11.372   40.476   16.190
LGA    E    13_B      E    13_C     2.778     0    0.113   0.298     7.135   62.976   41.587
LGA    L    14_B      L    14_C     3.543     0    0.060   1.417     9.610   53.810   32.976
LGA    L    15_B      L    15_C     4.017     0    0.079   0.083     8.579   48.571   29.167
LGA    E    16_B      E    16_C     3.737     0    0.068   1.022    10.201   51.905   27.407
LGA    K    17_B      K    17_C     3.613     0    0.063   0.148     9.647   50.357   29.471
LGA    L    18_B      L    18_C     3.795     0    0.069   0.356     9.040   51.905   30.238
LGA    I    19_B      I    19_C     3.116     0    0.049   0.679     8.801   59.167   38.155
LGA    E    20_B      E    20_C     4.088     0    0.035   1.054     9.696   43.690   25.238
LGA    Y    21_B      Y    21_C     4.848     0    0.036   0.299    13.598   38.810   15.198
LGA    L    22_B      L    22_C     3.540     0    0.031   1.020     8.510   55.595   33.274
LGA    E    23_B      E    23_C     3.093     0    0.042   1.191     8.496   57.500   33.069
LGA    E    24_B      E    24_C     5.314     0    0.056   1.147    13.339   31.786   15.397
LGA    L    25_B      L    25_C     5.465     0    0.149   1.361    11.811   32.976   18.393
LGA    K    26_B      K    26_C     2.503     0    0.598   0.677     8.036   71.310   46.138
LGA    E    27_B      E    27_C     3.877     0    0.597   1.049     4.763   45.119   46.931
LGA    K    34_B      K    34_C     4.510     0    0.236   0.705    11.620   42.024   22.011
LGA    E    35_B      E    35_C     2.759     0    0.059   1.410     8.497   65.000   41.376
LGA    K    36_B      K    36_C     1.603     0    0.067   1.374     4.849   77.262   66.825
LGA    L    37_B      L    37_C     3.855     0    0.031   0.181     7.573   50.119   32.619
LGA    E    38_B      E    38_C     3.646     0    0.059   0.968     6.854   53.810   36.085
LGA    E    39_B      E    39_C     1.771     0    0.055   0.783     7.707   75.000   48.307
LGA    V    40_B      V    40_C     2.409     0    0.042   0.062     4.880   68.929   55.374
LGA    I    41_B      I    41_C     3.311     0    0.023   0.054     7.073   59.167   40.119
LGA    E    42_B      E    42_C     2.957     0    0.073   0.846     8.184   60.952   36.243
LGA    G    43_B      G    43_C     2.926     0    0.051   0.051     2.926   62.976   62.976
LGA    L    44_B      L    44_C     2.898     0    0.033   1.253     5.903   64.881   52.321
LGA    E    45_B      E    45_C     2.889     0    0.082   0.185     9.025   62.857   34.339
LGA    R    46_B      R    46_C     3.295     0    0.065   1.127     8.255   53.810   31.775
LGA    L    47_B      L    47_C     3.701     0    0.080   1.017     5.393   51.905   41.786
LGA    K    48_B      K    48_C     2.658     0    0.083   1.243     9.964   62.857   38.413
LGA    E    49_B      E    49_C     2.553     0    0.220   0.620     6.026   62.976   45.556
LGA    E    50_B      E    50_C     3.624     0    0.199   1.029    10.412   48.452   26.085
LGA    V    51_B      V    51_C     4.234     0    0.120   0.134     5.834   35.000   32.857
LGA    D    52_B      D    52_C     5.689     0    0.175   0.846     8.377   27.619   18.214
LGA    Q    55_B      Q    55_C    12.366     0    0.602   0.581    20.001    0.119    0.053
LGA    L    56_B      L    56_C    15.835     0    0.610   1.455    20.382    0.000    0.000
LGA    N    57_B      N    57_C    16.776     0    0.609   0.785    19.023    0.000    0.000
LGA    M    58_B      M    58_C    21.144     0    0.652   0.960    24.820    0.000    0.000
LGA    N    59_B      N    59_C    27.124     0    0.623   0.703    28.616    0.000    0.000
LGA    L    60_B      L    60_C    27.161     0    0.364   0.525    30.379    0.000    0.000
LGA    I    61_B      I    61_C    32.945     0    0.045   0.046    35.610    0.000    0.000
LGA    V    62_B      V    62_C    36.065     0    0.076   0.115    39.193    0.000    0.000
LGA    F    63_B      F    63_C    39.742     0    0.062   1.277    42.286    0.000    0.000
LGA    E    64_B      E    64_C    43.941     0    0.591   1.401    50.784    0.000    0.000
LGA    G    65_B      G    65_C    43.360     0    0.170   0.170    44.291    0.000    0.000
LGA    L    66_B      L    66_C    44.311     0    0.338   1.005    46.882    0.000    0.000
LGA    E    67_B      E    67_C    45.120     0    0.610   1.194    48.965    0.000    0.000
LGA    V    68_B      V    68_C    43.935     0    0.607   0.667    44.820    0.000    0.000
LGA    D    69_B      D    69_C    46.952     0    0.523   0.889    48.930    0.000    0.000
LGA    E    70_B      E    70_C    50.642     0    0.113   1.473    54.816    0.000    0.000
LGA    E    71_B      E    71_C    46.142     0    0.538   1.252    47.808    0.000    0.000
LGA    G    72_B      G    72_C    40.691     0    0.401   0.401    43.043    0.000    0.000
LGA    R    73_B      R    73_C    40.221     0    0.601   1.529    45.787    0.000    0.000
LGA    V    74_B      V    74_C    37.005     0    0.605   0.865    38.099    0.000    0.000
LGA    W    75_B      W    75_C    33.723     0    0.602   1.311    35.053    0.000    0.000
LGA    F    76_B      F    76_C    31.303     0    0.607   1.397    32.951    0.000    0.000
LGA    I    77_B      I    77_C    36.650     0    0.632   0.800    42.325    0.000    0.000
LGA    V    78_B      V    78_C    34.540     0    0.600   0.626    35.887    0.000    0.000
LGA    K    79_B      K    79_C    33.804     0    0.123   0.190    36.610    0.000    0.000
LGA    E    80_B      E    80_C    37.471     0    0.603   1.501    41.999    0.000    0.000
LGA    M    81_B      M    81_C    38.501     0    0.619   0.953    40.798    0.000    0.000
LGA    L    82_B      L    82_C    36.512     0    0.549   1.348    37.075    0.000    0.000
LGA    H    83_B      H    83_C    38.604     0    0.619   0.434    42.371    0.000    0.000
LGA    A    84_B      A    84_C    42.471     0    0.617   0.579    44.853    0.000    0.000
LGA    T    85_B      T    85_C    46.797     0    0.084   0.155    47.998    0.000    0.000
LGA    T    86_B      T    86_C    45.884     0    0.607   1.298    45.884    0.000    0.000
LGA    E    87_B      E    87_C    45.438     0    0.047   1.144    46.257    0.000    0.000
LGA    E    88_B      E    88_C    47.938     0    0.029   1.016    51.632    0.000    0.000
LGA    E    89_B      E    89_C    46.784     0    0.381   0.858    52.129    0.000    0.000
LGA    A    90_B      A    90_C    44.516     0    0.557   0.550    45.593    0.000    0.000
LGA    L    91_B      L    91_C    40.759     0    0.091   1.078    42.997    0.000    0.000
LGA    E    92_B      E    92_C    42.372     0    0.082   0.946    50.215    0.000    0.000
LGA    N    93_B      N    93_C    40.059     0    0.077   1.074    45.498    0.000    0.000
LGA    M    94_B      M    94_C    33.417     0    0.035   1.218    36.257    0.000    0.000
LGA    D    95_B      D    95_C    33.026     0    0.077   1.192    35.653    0.000    0.000
LGA    K    96_B      K    96_C    35.139     0    0.030   1.210    43.280    0.000    0.000
LGA    F    97_B      F    97_C    30.951     0    0.081   1.440    32.657    0.000    0.000
LGA    L    98_B      L    98_C    24.647     0    0.051   0.374    27.235    0.000    0.000
LGA    E    99_B      E    99_C    26.184     0    0.041   0.993    32.551    0.000    0.000
LGA    S   100_B      S   100_C    28.812     0    0.082   0.694    32.475    0.000    0.000
LGA    W   101_B      W   101_C    22.901     0    0.040   1.588    25.060    0.000    0.000
LGA    E   102_B      E   102_C    18.572     0    0.042   1.032    20.273    0.000    0.000
LGA    K   103_B      K   103_C    23.854     0    0.121   1.140    31.754    0.000    0.000
LGA    V   104_B      V   104_C    25.714     0    0.054   0.084    29.043    0.000    0.000
LGA    F   105_B      F   105_C    19.332     0    0.034   1.577    21.260    0.000    0.000
LGA    K   106_B      K   106_C    19.876     0    0.056   1.073    23.020    0.000    0.000
LGA    E   107_B      E   107_C    27.001     0    0.034   1.532    30.111    0.000    0.000
LGA    L   108_B      L   108_C    26.138     0    0.061   1.359    26.947    0.000    0.000
LGA    L   109_B      L   109_C    22.801     0    0.029   1.352    26.302    0.000    0.000
LGA    E   110_B      E   110_C    27.856     0    0.054   1.026    32.052    0.000    0.000
LGA    Y   111_B      Y   111_C    33.210     0    0.014   0.094    42.699    0.000    0.000
LGA    H   112_B      H   112_C    31.349     0    0.059   1.213    34.086    0.000    0.000
LGA    F   113_B      F   113_C    32.908     0    0.036   1.424    37.236    0.000    0.000
LGA    E   114_B      E   114_C    38.735     0    0.184   1.605    42.704    0.000    0.000
LGA    H   115_B      H   115_C    41.503     0    0.058   0.933    44.690    0.000    0.000
LGA    N   116_B      N   116_C    41.712     0    0.471   0.499    45.425    0.000    0.000
LGA    S   119_B      S   119_C    43.707     0    0.286   0.671    45.281    0.000    0.000
LGA    P   120_B      P   120_C    44.238     0    0.294   0.843    47.657    0.000    0.000
LGA    T   121_B      T   121_C    40.354     0    0.068   0.066    41.904    0.000    0.000
LGA    F   122_B      F   122_C    33.918     0    0.053   1.012    36.601    0.000    0.000
LGA    D   123_B      D   123_C    36.018     0    0.071   1.189    37.891    0.000    0.000
LGA    F   124_B      F   124_C    40.177     0    0.054   1.430    46.091    0.000    0.000
LGA    F   125_B      F   125_C    34.387     0    0.092   1.421    36.282    0.000    0.000
LGA    L   126_B      L   126_C    29.536     0    0.071   1.094    31.334    0.000    0.000
LGA    D   127_B      D   127_C    34.881     0    0.069   1.135    37.261    0.000    0.000
LGA    F   128_B      F   128_C    37.261     0    0.062   1.362    43.150    0.000    0.000
LGA    L   129_B      L   129_C    30.489     0    0.607   1.185    32.656    0.000    0.000
LGA    W   130_B      W   130_C    28.275     0    0.128   0.434    30.572    0.000    0.000
LGA    W   131_B      W   131_C    35.239     0    0.086   1.543    44.805    0.000    0.000
LGA    Q   132_B      Q   132_C    36.783     0    0.169   1.086    40.642    0.000    0.000
LGA    L   133_B      L   133_C    31.154     0    0.044   1.175    32.618    0.000    0.000
LGA    Y   134_B      Y   134_C    30.654     0    0.049   1.558    33.175    0.000    0.000
LGA    G   135_B      G   135_C    37.831     0    0.060   0.060    41.019    0.000    0.000
LGA    E   136_B      E   136_C    38.089     0    0.069   1.287    40.018    0.000    0.000
LGA    P   137_B      P   137_C    36.729     0    0.283   0.555    40.329    0.000    0.000
LGA    M   138_B      M   138_C    33.247     0    0.691   1.362    34.212    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):    16.442         16.313                 17.019           18.481   11.986

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0     35    3.26    26.378    23.738     1.042

LGA_LOCAL      RMSD:   3.258  Number of atoms:   35  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  28.856  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:  16.442  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.469914 * X  +   0.500356 * Y  +   0.727203 * Z  +  18.574974
  Y_new =   0.734575 * X  +   0.678482 * Y  +   0.007845 * Z  +  -0.583405
  Z_new =  -0.489469 * X  +   0.537872 * Y  +  -0.686377 * Z  +  67.759872 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.139903  0.511481  2.476908   [DEG:  122.6074   29.3057  141.9164 ]
ZXZ:  1.581584  2.327292 -0.738318   [DEG:   90.6181  133.3440  -42.3025 ]
 
# END of job
