
#######################################################
#                                                     #
#                        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  207 ( 1714),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1714),  selected  207 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      92_A - 136_A       4.95    32.60
  LCS_AVERAGE:     16.24

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      66_A - 85_A        1.88    32.36
  LCS_AVERAGE:      6.36

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      50_A - 65_A        0.93    43.06
  LONGEST_CONTINUOUS_SEGMENT:    16     130_A - 145_A       0.95    27.00
  LCS_AVERAGE:      4.55

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
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     G     1_A     G     1_A      5    6   14      3    3    4    5    5    6    8   20   20   23   26   29   32   35   40   41   43   48   51   55 
LCS_GDT     I     2_A     I     2_A      5    6   14      4    5    5    5    8    8    9   10   12   13   15   17   18   28   33   35   37   40   41   44 
LCS_GDT     D     3_A     D     3_A      5    6   14      4    5    5    5    8    8   15   20   20   23   26   31   32   35   40   41   45   52   55   57 
LCS_GDT     P     4_A     P     4_A      5    6   14      4    8   12   16   18   19   21   24   26   30   31   34   37   42   45   48   51   55   59   64 
LCS_GDT     F     5_A     F     5_A      5    6   14      4    5    5    5    8   21   21   24   26   30   31   39   45   45   48   53   59   66   68   72 
LCS_GDT     T     6_A     T     6_A      5    6   14      3    5    5    5    8    8    9    9   12   13   15   29   33   37   47   49   50   55   56   62 
LCS_GDT     W     7_A     W     7_A      4    6   14      3    3    4    5    8    8    9    9   10   11   26   31   35   39   47   49   49   53   56   59 
LCS_GDT     G     8_A     G     8_A      4    5   14      3    3    4    4    5    8    8    9    9   11   12   14   39   44   47   50   52   55   58   62 
LCS_GDT     F     9_A     F     9_A      4    5   14      3    3    4    5    8    8    9    9   10   11   12   14   16   20   23   24   26   34   36   38 
LCS_GDT     G    10_A     G    10_A      4    5   21      3    4    4    4    8    8    9    9   10   11   14   15   19   29   31   33   39   58   60   64 
LCS_GDT     G    11_A     G    11_A      4    5   24      3    4    4    4    5    7    9    9   12   15   25   33   40   44   47   50   60   63   69   73 
LCS_GDT     S    12_A     S    12_A      5    7   24      3    4    5    7    7    9   12   15   20   24   30   33   40   44   49   55   61   66   70   73 
LCS_GDT     S    13_A     S    13_A      5    7   24      3    4    5    8    8   12   15   18   23   25   32   36   42   51   57   61   64   66   70   73 
LCS_GDT     K    14_A     K    14_A      5    7   24      4    4    5    9   11   14   16   19   23   27   33   37   42   51   57   61   64   66   70   73 
LCS_GDT     E    15_A     E    15_A      5    7   24      3    4    5    7    7   10   13   18   21   24   29   32   37   46   54   59   64   66   70   73 
LCS_GDT     K    16_A     K    16_A      5    7   24      3    4    5    6    7   13   15   19   22   26   29   31   34   38   39   45   50   56   61   69 
LCS_GDT     P    17_A     P    17_A      4    7   24      3    4    4    7    7   10   14   17   19   26   28   29   33   37   39   42   47   52   55   64 
LCS_GDT     N    18_A     N    18_A      5   15   25      3    4    5    7   10   14   16   18   20   21   22   23   25   31   36   42   44   47   51   54 
LCS_GDT     Y    19_A     Y    19_A      5   15   25      3    5   11   12   14   14   16   18   20   21   22   23   24   31   38   42   44   47   51   54 
LCS_GDT     D    20_A     D    20_A      5   15   25      3    4    5   11   14   14   16   18   20   21   22   23   24   29   31   33   40   46   49   50 
LCS_GDT     Y    21_A     Y    21_A     11   15   25      8   11   11   12   14   14   16   18   20   21   22   23   24   26   31   33   35   38   39   40 
LCS_GDT     S    22_A     S    22_A     11   15   25      8   11   11   12   14   14   16   18   20   22   22   26   27   28   32   33   35   38   39   43 
LCS_GDT     A    23_A     A    23_A     11   15   25      8   11   11   12   14   14   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     D    24_A     D    24_A     11   15   25      8   11   11   12   14   14   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     K    25_A     K    25_A     11   15   25      8   11   11   12   14   14   16   18   20   21   22   23   24   26   32   33   35   38   41   43 
LCS_GDT     K    26_A     K    26_A     11   15   25      8   11   11   12   14   14   16   18   20   21   22   23   24   28   32   33   35   38   41   43 
LCS_GDT     L    27_A     L    27_A     11   15   25      8   11   11   12   14   14   16   18   20   21   22   24   27   30   32   33   35   38   41   43 
LCS_GDT     I    28_A     I    28_A     11   15   25      5   11   11   12   14   14   16   18   20   21   22   23   24   26   32   33   35   37   41   43 
LCS_GDT     E    29_A     E    29_A     11   15   25      8   11   11   12   14   14   16   18   20   21   22   22   24   26   28   30   32   35   41   43 
LCS_GDT     I    30_A     I    30_A     11   15   25      4   11   11   12   14   14   16   17   20   21   22   22   24   25   28   30   32   35   41   43 
LCS_GDT     N    31_A     N    31_A     11   15   25      6   11   11   12   14   14   16   18   20   21   22   22   24   25   27   30   31   34   41   43 
LCS_GDT     T    32_A     T    32_A      3   15   25      3    4    4    9   14   14   16   18   20   21   22   22   24   25   27   30   30   33   37   40 
LCS_GDT     R    33_A     R    33_A      3    5   25      3    4    4    5    7   13   16   18   20   21   22   23   24   26   28   30   34   37   41   43 
LCS_GDT     P    34_A     P    34_A      4    5   25      3    4    4    5    5    8   13   18   20   21   22   23   24   26   28   30   32   35   41   43 
LCS_GDT     I    35_A     I    35_A      4    5   25      3    4    4    4    5    5   12   14   16   17   22   23   24   26   28   30   34   37   41   43 
LCS_GDT     S    36_A     S    36_A      4    6   25      3    4    4    6    6    9   12   14   16   17   18   23   24   28   32   33   35   38   41   43 
LCS_GDT     T    37_A     T    37_A      5    6   25      4    4    5    6    6    9   12   14   16   17   20   26   29   30   32   33   35   38   41   43 
LCS_GDT     D    38_A     D    38_A      5    6   25      4    4    5    6    7    7    9   13   16   19   22   27   29   30   32   33   35   38   41   43 
LCS_GDT     N    39_A     N    39_A      5    6   25      4    4    7   11   14   16   17   18   20   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     A    40_A     A    40_A      5    6   25      4    4    5    6    6    9   15   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     K    41_A     K    41_A      5    6   25      3    4    5    6    6    9   12   16   19   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     Y    42_A     Y    42_A      3    4   25      3    3    3    4    6    9   12   16   19   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     W    43_A     W    43_A      3    5   24      3    3    3    4    4    5    7    8   10   14   16   19   20   22   30   33   35   38   41   43 
LCS_GDT     C    44_A     C    44_A      4    5   23      3    4    4    4    6    6    7    8    9   11   12   13   18   20   25   30   32   36   41   43 
LCS_GDT     F    45_A     F    45_A      4    5   24      3    4    4    4    6    6    7    8   10   12   13   15   18   22   25   30   32   36   41   43 
LCS_GDT     D    46_A     D    46_A      4    6   24      3    4    5    5    6    7   10   11   13   15   19   22   26   27   29   33   35   38   41   43 
LCS_GDT     K    47_A     K    47_A      5    6   24      3    4    5    5    6    9   12   14   18   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     G    48_A     G    48_A      5    6   24      4    4    5    5    6    9   11   12   16   19   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     N    49_A     N    49_A      5   17   24      4    4    5    6   11   13   16   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     D    50_A     D    50_A     16   17   24      4    5   10   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     L    51_A     L    51_A     16   17   24      9   15   15   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     G    52_A     G    52_A     16   17   24     13   15   15   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     C    53_A     C    53_A     16   17   24     13   15   15   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     L    54_A     L    54_A     16   17   24     13   15   15   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     S    55_A     S    55_A     16   17   24     13   15   15   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     L    56_A     L    56_A     16   17   24     13   15   15   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     E    57_A     E    57_A     16   17   24     13   15   15   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     K    58_A     K    58_A     16   17   24     13   15   15   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     L    59_A     L    59_A     16   17   24     13   15   15   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     E    60_A     E    60_A     16   17   25     13   15   15   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     A    61_A     A    61_A     16   17   26     13   15   15   15   16   16   17   18   21   22   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     L    62_A     L    62_A     16   17   27     13   15   15   15   16   16   17   18   21   22   26   27   29   30   31   33   35   38   41   43 
LCS_GDT     E    63_A     E    63_A     16   17   27     13   15   15   15   16   16   17   18   21   22   26   27   29   30   31   33   35   38   39   41 
LCS_GDT     S    64_A     S    64_A     16   17   27     13   15   15   15   16   16   17   18   21   22   26   27   29   30   31   33   35   38   39   43 
LCS_GDT     K    65_A     K    65_A     16   19   28      9   15   15   15   16   18   20   20   22   22   26   27   28   30   31   33   35   37   39   42 
LCS_GDT     D    66_A     D    66_A     11   20   28      4   10   13   16   18   20   21   23   23   24   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     L    67_A     L    67_A     11   20   28      6   10   13   16   18   20   21   23   23   24   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     K    68_A     K    68_A     11   20   28      6   10   13   16   18   20   21   23   23   24   26   27   29   30   32   33   35   38   41   43 
LCS_GDT     K    69_A     K    69_A     11   20   28      6   10   12   16   18   20   21   23   23   24   26   27   28   30   31   36   41   44   51   58 
LCS_GDT     V    70_A     V    70_A     11   20   28      6   10   13   16   18   20   21   23   23   24   26   27   28   30   31   31   34   37   39   48 
LCS_GDT     V    71_A     V    71_A     11   20   28      6   10   13   16   18   20   21   23   23   24   26   27   28   30   31   31   34   37   52   56 
LCS_GDT     K    72_A     K    72_A     11   20   28      5   10   13   16   18   20   21   23   23   24   26   29   35   41   49   55   59   66   70   73 
LCS_GDT     F    73_A     F    73_A     11   20   28      5   10   11   16   18   20   21   23   23   24   26   29   35   41   49   55   59   64   70   73 
LCS_GDT     Y    74_A     Y    74_A     11   20   28      6   10   11   16   18   20   21   23   23   24   26   27   31   40   49   55   59   66   70   73 
LCS_GDT     E    75_A     E    75_A     11   20   28      6   10   13   16   18   20   21   23   25   28   34   36   41   49   57   61   64   66   70   73 
LCS_GDT     K    76_A     K    76_A     11   20   28      5    9   13   16   18   20   21   23   26   28   34   39   45   51   57   61   64   66   70   73 
LCS_GDT     T    77_A     T    77_A     10   20   28      5    9   13   16   18   20   21   23   23   27   33   37   42   51   57   61   64   66   70   73 
LCS_GDT     I    78_A     I    78_A     10   20   28      5    9   13   16   18   20   21   23   26   29   34   41   47   51   57   61   64   66   70   73 
LCS_GDT     P    79_A     P    79_A     10   20   28      5    9   13   16   18   20   21   23   26   29   34   41   47   51   57   61   64   66   70   73 
LCS_GDT     E    80_A     E    80_A     10   20   28      5    9   13   16   18   20   21   23   23   25   27   32   40   44   49   57   63   66   69   73 
LCS_GDT     Y    81_A     Y    81_A     10   20   28      5    9   13   16   18   20   21   23   23   25   30   33   36   44   48   54   60   66   69   73 
LCS_GDT     C    82_A     C    82_A     10   20   28      5    9   13   16   18   20   21   23   23   24   28   35   38   43   48   56   62   66   69   71 
LCS_GDT     Y    83_A     Y    83_A     10   20   28      4    8   13   16   18   20   21   23   23   24   26   27   28   30   31   39   42   47   58   61 
LCS_GDT     D    84_A     D    84_A     10   20   28      3    5    9   13   18   19   21   23   23   24   26   27   28   30   37   43   44   47   58   61 
LCS_GDT     K    85_A     K    85_A      3   20   28      3    3    4    5    8   13   19   23   23   24   26   27   28   30   31   34   38   43   50   53 
LCS_GDT     K    86_A     K    86_A      4    8   28      3    4    4    5    7    8    9   21   22   24   25   27   28   30   31   31   32   34   35   35 
LCS_GDT     F    87_A     F    87_A      4    8   28      3    4    4    5    7    8    8    9   10   11   15   21   25   27   28   28   30   32   35   35 
LCS_GDT     A    88_A     A    88_A      4    8   28      3    4    4    5    7    8    8    9   13   23   23   24   25   27   30   31   32   34   35   35 
LCS_GDT     P    89_A     P    89_A      4    8   28      3    4    4    5    7    8    8    9   10   12   15   16   25   27   27   28   29   38   43   47 
LCS_GDT     A    90_A     A    90_A      4    8   28      3    3    4    5    7    8    8    9   10   12   14   15   17   18   21   31   36   41   48   54 
LCS_GDT     C    91_A     C    91_A      4    8   40      3    3    4    4    7    8    8   11   12   13   15   16   30   38   45   48   54   59   61   66 
LCS_GDT     N    92_A     N    92_A      4    6   45      3    3    4    5    8   11   16   19   25   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     I    93_A     I    93_A      4    6   45      3    3    4    5    9   11   16   19   23   29   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     P    94_A     P    94_A      6   17   45      4    6   12   13   15   18   19   23   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     A    95_A     A    95_A      6   17   45      4    5    6    9   15   19   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     I    96_A     I    96_A      6   17   45      4    5    6    9   15   18   19   22   26   30   34   41   47   51   57   61   64   66   70   73 
LCS_GDT     D    97_A     D    97_A     13   17   45      4    6   14   16   18   19   21   24   26   30   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     L    98_A     L    98_A     13   17   45      4   12   12   14   17   19   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     I    99_A     I    99_A     13   17   45      8   12   12   14   15   18   20   24   24   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     Q   100_A     Q   100_A     13   17   45      8   12   12   14   15   18   19   20   20   26   31   39   46   49   57   61   64   66   70   73 
LCS_GDT     Q   101_A     Q   101_A     13   17   45      8   12   14   16   18   19   21   24   26   31   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     K   102_A     K   102_A     13   17   45      8   12   12   14   15   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     L   103_A     L   103_A     13   17   45      8   12   12   14   15   18   19   20   20   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     S   104_A     S   104_A     13   17   45      8   12   12   14   15   18   21   24   26   31   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     Y   105_A     Y   105_A     13   17   45      8   12   12   14   15   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     Y   106_A     Y   106_A     13   17   45      8   12   12   14   15   18   19   22   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     V   107_A     V   107_A     13   17   45      8   12   12   14   15   18   19   22   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     R   108_A     R   108_A     13   17   45      8   12   12   14   15   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     N   109_A     N   109_A     13   17   45      7   12   12   14   15   18   19   22   24   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     D   110_A     D   110_A     13   17   45      3    4    9   13   15   18   19   22   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     I   111_A     I   111_A      3    7   45      3    3    4    6    9   10   15   19   24   29   33   38   47   51   57   61   64   66   70   73 
LCS_GDT     D   112_A     D   112_A      4    7   45      3    4    4    5    8   10   13   16   21   23   31   35   40   44   47   51   60   66   69   73 
LCS_GDT     N   113_A     N   113_A      4    7   45      3    4    4    6    9   11   15   20   24   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     K   114_A     K   114_A      4    7   45      3    4    4    6    9   11   15   20   24   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     T   115_A     T   115_A      4   17   45      3    4    5   12   15   21   21   24   26   32   37   41   47   50   57   61   64   66   70   73 
LCS_GDT     I   116_A     I   116_A     10   17   45      3    7   14   16   18   21   21   24   26   30   33   39   41   45   49   52   56   62   67   71 
LCS_GDT     K   117_A     K   117_A     14   17   45      3    4    5   16   18   21   21   24   26   32   37   41   47   49   57   61   64   66   69   73 
LCS_GDT     T   118_A     T   118_A     14   17   45      6   13   14   16   18   21   21   24   26   32   37   41   47   49   57   61   64   66   69   73 
LCS_GDT     F   119_A     F   119_A     14   17   45     10   13   14   16   18   21   21   24   26   30   37   41   47   49   55   61   64   66   69   73 
LCS_GDT     Y   120_A     Y   120_A     14   17   45     10   13   14   16   18   21   21   24   26   32   37   41   47   49   57   61   64   66   70   73 
LCS_GDT     S   121_A     S   121_A     14   17   45     10   13   14   16   18   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     D   122_A     D   122_A     14   17   45     10   13   14   16   18   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     Y   123_A     Y   123_A     14   17   45      9   13   14   16   18   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     A   124_A     A   124_A     14   17   45     10   13   14   16   18   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     K   125_A     K   125_A     14   17   45     10   13   14   16   18   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     A   126_A     A   126_A     14   17   45      9   13   14   16   18   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     L   127_A     L   127_A     14   17   45     10   13   14   16   18   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     S   128_A     S   128_A     14   17   45     10   13   14   16   18   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     E   129_A     E   129_A     14   17   45     10   13   14   16   18   21   21   24   26   31   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     S   130_A     S   130_A     16   17   45     10   13   15   16   18   21   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     K   131_A     K   131_A     16   17   45      8   12   15   16   17   21   21   24   26   30   32   37   45   47   51   57   63   66   70   73 
LCS_GDT     A   132_A     A   132_A     16   17   45      8   12   15   16   17   17   17   19   25   29   34   39   45   51   57   61   64   66   70   73 
LCS_GDT     D   133_A     D   133_A     16   17   45      8   12   15   16   17   17   18   23   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     V   134_A     V   134_A     16   17   45      8   12   15   16   17   17   17   22   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     K   135_A     K   135_A     16   17   45      8   12   15   16   17   19   21   24   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     M   136_A     M   136_A     16   17   45      8   12   15   16   17   17   17   22   24   29   34   41   47   51   57   61   64   66   70   73 
LCS_GDT     L   137_A     L   137_A     16   17   40      8   12   15   16   17   17   17   18   22   25   34   41   47   51   57   61   64   66   70   73 
LCS_GDT     E   138_A     E   138_A     16   17   38      8   12   15   16   17   17   17   17   26   28   34   41   47   51   57   61   64   66   70   73 
LCS_GDT     Y   139_A     Y   139_A     16   17   38      8   12   15   16   17   17   17   19   26   32   37   41   47   51   57   61   64   66   70   73 
LCS_GDT     G   140_A     G   140_A     16   17   39      8   12   15   16   17   17   18   22   25   27   30   35   42   51   57   61   64   66   70   73 
LCS_GDT     C   141_A     C   141_A     16   17   39      8   12   15   16   17   17   17   22   25   27   30   33   41   48   57   61   64   66   70   73 
LCS_GDT     N   142_A     N   142_A     16   17   39      4   12   15   16   17   17   17   17   21   26   29   33   41   49   57   61   64   66   70   73 
LCS_GDT     E   143_A     E   143_A     16   17   40      4    5   15   16   17   17   18   21   25   27   34   41   47   51   57   61   64   66   70   73 
LCS_GDT     L   144_A     L   144_A     16   17   41      4    5   15   16   17   17   21   25   28   29   30   33   41   48   57   61   64   66   70   73 
LCS_GDT     K   145_A     K   145_A     16   17   41      4    5   13   16   17   17   22   25   28   29   30   33   38   42   48   51   59   63   68   72 
LCS_GDT     S   146_A     S   146_A      5    6   41      3    4    5    6   14   17   22   25   28   29   30   32   34   36   38   40   47   53   57   66 
LCS_GDT     A   147_A     A   147_A      5    6   41      3    4    5    7    8    9   11   16   22   28   30   31   33   35   36   38   40   41   45   48 
LCS_GDT     Y   148_A     Y   148_A      5    6   41      3    4    5    7    8   10   15   23   26   28   30   32   34   35   37   38   40   41   45   47 
LCS_GDT     I   149_A     I   149_A      5   16   41      3    4    8   12   20   25   27   28   30   33   34   34   35   38   39   42   46   51   53   57 
LCS_GDT     C   150_A     C   150_A     12   16   41      6   12   12   13   20   25   27   28   30   33   34   34   35   38   39   42   46   52   55   59 
LCS_GDT     R   151_A     R   151_A     12   16   41      9   12   12   13   20   25   27   28   30   33   34   34   35   38   39   42   46   51   53   57 
LCS_GDT     D   152_A     D   152_A     12   16   41      9   12   12   13   16   23   27   28   30   33   34   34   35   38   39   42   45   48   51   54 
LCS_GDT     L   153_A     L   153_A     12   16   41      9   12   12   13   16   25   27   28   30   33   34   34   35   38   39   42   45   51   53   57 
LCS_GDT     R   154_A     R   154_A     12   16   41      8   12   12   13   20   25   27   28   30   33   34   34   35   38   39   42   45   51   53   57 
LCS_GDT     D   155_A     D   155_A     12   16   41      9   12   12   13   20   25   27   28   30   33   34   34   35   38   39   42   45   48   51   54 
LCS_GDT     M   156_A     M   156_A     12   16   41      9   12   12   13   20   25   27   28   30   33   34   34   35   38   39   42   45   48   51   54 
LCS_GDT     Y   157_A     Y   157_A     12   16   41      9   12   12   13   20   25   27   28   30   33   34   34   35   38   39   42   45   48   51   54 
LCS_GDT     K   158_A     K   158_A     12   16   41      9   12   12   13   17   25   27   28   30   33   34   34   35   38   39   42   45   48   51   54 
LCS_GDT     Y   159_A     Y   159_A     12   16   41      9   12   12   13   20   25   27   28   30   33   34   34   35   38   39   42   45   47   51   54 
LCS_GDT     L   160_A     L   160_A     12   16   41      9   12   12   13   20   25   27   28   30   33   34   34   35   38   39   42   45   48   51   54 
LCS_GDT     G   161_A     G   161_A     12   16   41      5   12   12   13   14   18   24   28   30   33   34   34   35   38   39   42   45   48   51   54 
LCS_GDT     D   162_A     D   162_A      3   16   41      3    3    3    5   13   25   27   28   30   33   34   34   35   38   39   42   45   47   51   54 
LCS_GDT     K   163_A     K   163_A      3   16   41      4   12   12   13   15   18   25   28   30   33   34   34   35   38   39   42   45   48   51   54 
LCS_GDT     E   164_A     E   164_A      3   16   41      3    3    4   11   13   25   27   28   30   33   34   34   35   38   39   42   46   51   53   57 
LCS_GDT     K   165_A     K   165_A     11   16   41     10   10   11   12   20   25   27   28   30   33   34   34   35   38   39   42   45   51   53   55 
LCS_GDT     T   166_A     T   166_A     11   15   41     10   10   11   12   20   25   27   28   30   33   34   34   35   38   39   42   46   51   53   57 
LCS_GDT     K   167_A     K   167_A     11   15   41     10   10   11   12   20   25   27   28   30   33   34   34   35   38   39   42   46   51   53   57 
LCS_GDT     E   168_A     E   168_A     11   15   41     10   10   11   12   20   25   27   28   30   33   34   34   35   38   39   42   46   51   53   57 
LCS_GDT     Y   169_A     Y   169_A     11   15   41     10   10   11   12   20   25   27   28   30   33   34   34   35   38   39   42   46   51   54   59 
LCS_GDT     N   170_A     N   170_A     11   15   41     10   10   11   12   20   25   27   28   30   33   34   34   35   38   39   42   46   51   55   59 
LCS_GDT     D   171_A     D   171_A     11   15   41     10   10   11   12   20   25   27   28   30   33   34   34   35   38   40   43   46   52   55   61 
LCS_GDT     K   172_A     K   172_A     11   15   41     10   10   11   12   20   25   27   28   30   33   34   34   35   38   40   44   48   52   58   61 
LCS_GDT     M   173_A     M   173_A     11   15   41     10   10   11   12   20   25   27   28   30   33   34   34   35   38   41   45   49   53   58   61 
LCS_GDT     K   174_A     K   174_A     11   15   41     10   10   11   12   20   25   27   28   30   33   34   34   35   38   41   46   49   53   58   61 
LCS_GDT     N   175_A     N   175_A     11   15   41      3    8   11   12   16   25   27   28   30   33   34   34   35   38   41   45   49   53   58   61 
LCS_GDT     G   176_A     G   176_A      3   15   41      3    3    5    8   13   14   20   25   30   33   34   34   35   38   41   45   49   53   58   61 
LCS_GDT     D   177_A     D   177_A      3   15   41      1    3    6   10   11   14   21   28   30   33   34   34   36   40   45   49   51   56   59   63 
LCS_GDT     E   178_A     E   178_A      3   15   41      1    3    8   10   15   23   27   28   30   33   34   34   36   40   45   49   50   56   59   63 
LCS_GDT     K   179_A     K   179_A      4    5   41      3    3    4    8   10   16   18   22   25   32   34   34   36   40   47   50   54   59   68   73 
LCS_GDT     W   180_A     W   180_A      4    9   41      3    3    4   12   20   25   27   28   30   33   34   34   36   40   45   49   50   56   64   67 
LCS_GDT     N   181_A     N   181_A      8    9   41      5    8   11   12   15   20   26   28   30   33   34   34   35   40   44   49   50   53   64   67 
LCS_GDT     S   182_A     S   182_A      8    9   41      5    7   11   12   13   15   20   25   30   33   34   34   36   40   45   49   50   56   64   68 
LCS_GDT     V   183_A     V   183_A      8    9   41      5    7    8    9   13   15   18   22   25   27   32   34   36   40   45   52   61   65   70   73 
LCS_GDT     L   184_A     L   184_A      8    9   41      5    7    8   10   13   15   18   22   25   27   30   35   41   51   56   60   64   66   70   73 
LCS_GDT     Y   185_A     Y   185_A      8    9   41      5    7    8   10   13   15   18   22   25   27   31   36   42   51   57   61   64   66   70   73 
LCS_GDT     D   186_A     D   186_A      8    9   40      3    7    8   10   13   15   18   22   25   27   30   34   41   51   57   61   64   66   70   73 
LCS_GDT     Y   187_A     Y   187_A      8    9   31      4    7    8   16   18   20   21   23   25   27   30   33   41   51   57   61   64   66   70   73 
LCS_GDT     K   188_A     K   188_A      8    9   31      3    5   10   16   18   20   21   23   25   27   30   33   36   40   45   50   57   64   70   73 
LCS_GDT     H   189_A     H   189_A      3    4   31      3    3    3    6   16   20   21   23   25   27   30   33   41   50   57   61   64   66   70   73 
LCS_GDT     M   190_A     M   190_A      3    4   31      0    3    3    9   11   14   18   22   25   27   30   33   41   50   57   61   64   66   70   73 
LCS_GDT     R   191_A     R   191_A      3    4   31      3    3    3    5   10   14   18   22   25   27   30   33   41   51   57   61   64   66   70   73 
LCS_GDT     Y   192_A     Y   192_A      5    5   31      4    5    5    7   10   14   18   22   25   27   30   34   41   51   57   61   64   66   70   73 
LCS_GDT     I   193_A     I   193_A      5    5   31      4    5    5    6    9   13   16   22   23   26   32   35   39   41   45   50   53   60   67   71 
LCS_GDT     H   194_A     H   194_A      5    5   31      4    5    5    6    9   10   16   18   23   27   32   37   41   45   48   52   58   63   67   71 
LCS_GDT     G   195_A     G   195_A      5    5   31      4    5    8   10   13   15   18   22   25   27   32   40   47   49   57   61   64   66   69   73 
LCS_GDT     G   196_A     G   196_A      5    5   31      2    5    8   10   13   15   18   22   25   27   32   35   39   41   46   51   62   63   67   71 
LCS_GDT     Y   197_A     Y   197_A      4    5   31      2    4    8   10   13   15   18   22   25   27   30   33   36   40   45   50   52   60   64   71 
LCS_GDT     S   198_A     S   198_A      9   10   31      4    9    9   10   13   15   18   22   25   27   30   33   36   40   45   49   50   53   58   62 
LCS_GDT     S   199_A     S   199_A      9   10   31      4    9    9    9   11   14   18   21   25   27   30   33   36   40   45   49   50   53   58   61 
LCS_GDT     W   200_A     W   200_A      9   10   31      4    9    9    9   10   12   15   17   21   25   30   33   36   40   45   49   51   56   61   67 
LCS_GDT     W   201_A     W   201_A      9   10   31      6    9    9    9   10   12   16   21   25   27   29   32   36   40   45   49   50   53   57   61 
LCS_GDT     L   202_A     L   202_A      9   10   31      6    9    9    9   11   14   17   22   25   27   29   32   36   40   45   49   50   53   58   61 
LCS_GDT     L   203_A     L   203_A      9   10   31      6    9    9    9   11   14   18   22   25   27   30   33   36   40   45   49   50   53   58   61 
LCS_GDT     E   204_A     E   204_A      9   10   31      6    9    9    9   10   13   15   17   19   23   26   27   30   40   45   49   50   53   57   60 
LCS_GDT     K   205_A     K   205_A      9   10   31      6    9    9    9   11   13   15   17   19   23   26   27   30   34   40   45   50   53   55   59 
LCS_GDT     I   206_A     I   206_A      9   10   31      6    9    9    9   10   12   13   19   25   27   28   31   34   40   45   49   50   53   57   60 
LCS_GDT     K   207_A     K   207_A      4   10   31      1    3    5    9   10   10   10   13   19   22   27   31   33   40   45   49   50   53   55   60 
LCS_AVERAGE  LCS_A:   9.05  (   4.55    6.36   16.24 )

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     13     15     15     16     20     25     27     28     30     33     37     41     47     51     57     61     64     66     70     73 
GDT PERCENT_AT   6.28   7.25   7.25   7.73   9.66  12.08  13.04  13.53  14.49  15.94  17.87  19.81  22.71  24.64  27.54  29.47  30.92  31.88  33.82  35.27
GDT RMS_LOCAL    0.22   0.44   0.44   0.95   2.01   2.33   2.47   2.51   2.75   3.17   4.15   4.48   4.88   5.35   5.63   5.82   5.99   6.13   6.58   6.64
GDT RMS_ALL_AT  43.72  43.66  43.66  27.00  33.24  33.05  32.93  32.89  32.85  32.22  32.88  31.86  31.52  29.37  29.40  29.57  29.43  29.37  28.58  29.04

# Checking swapping
#   possible swapping detected:  F     5_A      F     5_A
#   possible swapping detected:  Y    19_A      Y    19_A
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  D    38_A      D    38_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  F    45_A      F    45_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  Y    74_A      Y    74_A
#   possible swapping detected:  D    84_A      D    84_A
#   possible swapping detected:  F    87_A      F    87_A
#   possible swapping detected:  D    97_A      D    97_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  Y   106_A      Y   106_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  F   119_A      F   119_A
#   possible swapping detected:  Y   120_A      Y   120_A
#   possible swapping detected:  D   122_A      D   122_A
#   possible swapping detected:  E   129_A      E   129_A
#   possible swapping detected:  D   133_A      D   133_A
#   possible swapping detected:  D   177_A      D   177_A
#   possible swapping detected:  Y   185_A      Y   185_A
#   possible swapping detected:  Y   187_A      Y   187_A
#   possible swapping detected:  Y   197_A      Y   197_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    40.065     0    0.262   0.262    41.251    0.000    0.000
LGA    I     2_A      I     2_A    42.265     0    0.094   1.043    46.816    0.000    0.000
LGA    D     3_A      D     3_A    40.027     0    0.045   1.141    40.587    0.000    0.000
LGA    P     4_A      P     4_A    36.911     0    0.086   0.156    38.931    0.000    0.000
LGA    F     5_A      F     5_A    35.742     0    0.654   1.451    37.701    0.000    0.000
LGA    T     6_A      T     6_A    36.543     0    0.499   0.998    37.929    0.000    0.000
LGA    W     7_A      W     7_A    34.574     0    0.574   0.885    35.514    0.000    0.000
LGA    G     8_A      G     8_A    33.611     0    0.712   0.712    34.132    0.000    0.000
LGA    F     9_A      F     9_A    36.711     0    0.146   1.271    39.887    0.000    0.000
LGA    G    10_A      G    10_A    34.997     0    0.709   0.709    35.711    0.000    0.000
LGA    G    11_A      G    11_A    35.331     0    0.173   0.173    35.331    0.000    0.000
LGA    S    12_A      S    12_A    30.849     0    0.561   0.538    32.677    0.000    0.000
LGA    S    13_A      S    13_A    25.852     0    0.646   0.933    27.552    0.000    0.000
LGA    K    14_A      K    14_A    20.794     0    0.147   0.868    24.431    0.000    0.000
LGA    E    15_A      E    15_A    17.031     0    0.200   0.341    20.144    0.000    0.000
LGA    K    16_A      K    16_A    14.282     0    0.055   1.041    15.492    0.000    0.000
LGA    P    17_A      P    17_A    14.672     0    0.050   0.070    15.443    0.000    0.000
LGA    N    18_A      N    18_A    17.973     0    0.037   1.366    23.314    0.000    0.000
LGA    Y    19_A      Y    19_A    14.528     0    0.192   0.714    15.480    0.000    0.000
LGA    D    20_A      D    20_A    14.499     0    0.338   0.304    17.734    0.000    0.000
LGA    Y    21_A      Y    21_A    15.195     0    0.266   1.345    17.581    0.000    0.000
LGA    S    22_A      S    22_A    14.554     0    0.054   0.590    16.815    0.000    0.000
LGA    A    23_A      A    23_A    17.285     0    0.070   0.071    20.188    0.000    0.000
LGA    D    24_A      D    24_A    20.099     0    0.038   0.794    23.186    0.000    0.000
LGA    K    25_A      K    25_A    21.273     0    0.029   0.649    23.943    0.000    0.000
LGA    K    26_A      K    26_A    21.614     0    0.070   0.703    25.503    0.000    0.000
LGA    L    27_A      L    27_A    26.140     0    0.013   1.412    29.880    0.000    0.000
LGA    I    28_A      I    28_A    29.621     0    0.075   0.622    32.487    0.000    0.000
LGA    E    29_A      E    29_A    29.383     0    0.070   1.152    32.005    0.000    0.000
LGA    I    30_A      I    30_A    30.835     0    0.187   1.211    34.517    0.000    0.000
LGA    N    31_A      N    31_A    35.306     0    0.633   0.975    38.547    0.000    0.000
LGA    T    32_A      T    32_A    39.917     0    0.161   1.230    42.785    0.000    0.000
LGA    R    33_A      R    33_A    39.674     0    0.602   1.547    44.323    0.000    0.000
LGA    P    34_A      P    34_A    43.187     0    0.132   0.281    44.639    0.000    0.000
LGA    I    35_A      I    35_A    43.916     0    0.149   0.621    44.076    0.000    0.000
LGA    S    36_A      S    36_A    45.040     0    0.015   0.652    47.442    0.000    0.000
LGA    T    37_A      T    37_A    43.201     0    0.247   0.922    45.302    0.000    0.000
LGA    D    38_A      D    38_A    46.202     0    0.031   1.136    46.738    0.000    0.000
LGA    N    39_A      N    39_A    41.950     0    0.075   1.009    42.983    0.000    0.000
LGA    A    40_A      A    40_A    42.150     0    0.639   0.626    44.401    0.000    0.000
LGA    K    41_A      K    41_A    48.958     0    0.625   1.154    57.269    0.000    0.000
LGA    Y    42_A      Y    42_A    52.286     0    0.610   1.342    57.894    0.000    0.000
LGA    W    43_A      W    43_A    52.624     0    0.622   0.542    53.693    0.000    0.000
LGA    C    44_A      C    44_A    53.287     0    0.596   0.827    55.693    0.000    0.000
LGA    F    45_A      F    45_A    59.786     0    0.030   0.458    62.913    0.000    0.000
LGA    D    46_A      D    46_A    59.467     0    0.616   0.734    61.360    0.000    0.000
LGA    K    47_A      K    47_A    55.568     0    0.676   0.675    56.861    0.000    0.000
LGA    G    48_A      G    48_A    53.049     0    0.231   0.231    53.938    0.000    0.000
LGA    N    49_A      N    49_A    45.927     0    0.112   1.003    48.626    0.000    0.000
LGA    D    50_A      D    50_A    41.104     0    0.588   1.194    43.211    0.000    0.000
LGA    L    51_A      L    51_A    36.820     0    0.633   1.434    38.731    0.000    0.000
LGA    G    52_A      G    52_A    38.369     0    0.309   0.309    38.369    0.000    0.000
LGA    C    53_A      C    53_A    37.955     0    0.051   0.869    39.522    0.000    0.000
LGA    L    54_A      L    54_A    33.390     0    0.027   1.105    35.184    0.000    0.000
LGA    S    55_A      S    55_A    32.465     0    0.035   0.041    33.220    0.000    0.000
LGA    L    56_A      L    56_A    34.904     0    0.033   1.148    38.273    0.000    0.000
LGA    E    57_A      E    57_A    33.004     0    0.035   1.075    33.733    0.000    0.000
LGA    K    58_A      K    58_A    28.850     0    0.024   0.948    30.269    0.000    0.000
LGA    L    59_A      L    59_A    30.186     0    0.010   1.010    31.154    0.000    0.000
LGA    E    60_A      E    60_A    33.599     0    0.043   0.733    38.570    0.000    0.000
LGA    A    61_A      A    61_A    30.785     0    0.026   0.048    31.459    0.000    0.000
LGA    L    62_A      L    62_A    28.807     0    0.035   0.165    30.174    0.000    0.000
LGA    E    63_A      E    63_A    32.509     0    0.085   1.021    35.470    0.000    0.000
LGA    S    64_A      S    64_A    34.828     0    0.124   0.191    35.185    0.000    0.000
LGA    K    65_A      K    65_A    32.855     0    0.291   0.737    37.208    0.000    0.000
LGA    D    66_A      D    66_A    28.582     0    0.589   1.183    30.463    0.000    0.000
LGA    L    67_A      L    67_A    29.224     0    0.081   1.400    31.100    0.000    0.000
LGA    K    68_A      K    68_A    28.377     0    0.063   1.046    29.507    0.000    0.000
LGA    K    69_A      K    69_A    22.894     0    0.110   0.588    25.114    0.000    0.000
LGA    V    70_A      V    70_A    21.771     0    0.003   1.163    24.787    0.000    0.000
LGA    V    71_A      V    71_A    25.029     0    0.038   0.072    28.332    0.000    0.000
LGA    K    72_A      K    72_A    22.504     0    0.044   1.064    23.482    0.000    0.000
LGA    F    73_A      F    73_A    17.457     0    0.037   0.339    19.406    0.000    0.000
LGA    Y    74_A      Y    74_A    19.696     0    0.053   1.265    24.123    0.000    0.000
LGA    E    75_A      E    75_A    23.498     0    0.165   0.813    30.179    0.000    0.000
LGA    K    76_A      K    76_A    20.315     0    0.055   0.793    21.120    0.000    0.000
LGA    T    77_A      T    77_A    17.063     0    0.044   1.026    18.319    0.000    0.000
LGA    I    78_A      I    78_A    19.444     0    0.031   1.096    21.942    0.000    0.000
LGA    P    79_A      P    79_A    22.352     0    0.038   0.242    24.379    0.000    0.000
LGA    E    80_A      E    80_A    18.792     0    0.028   0.350    19.907    0.000    0.000
LGA    Y    81_A      Y    81_A    16.955     0    0.033   1.230    18.943    0.000    0.000
LGA    C    82_A      C    82_A    21.642     0    0.034   0.785    23.288    0.000    0.000
LGA    Y    83_A      Y    83_A    23.966     0    0.113   1.507    27.148    0.000    0.000
LGA    D    84_A      D    84_A    22.185     0    0.598   1.104    22.747    0.000    0.000
LGA    K    85_A      K    85_A    21.762     0    0.704   1.141    22.242    0.000    0.000
LGA    K    86_A      K    86_A    25.946     0    0.581   0.683    29.136    0.000    0.000
LGA    F    87_A      F    87_A    27.051     0    0.323   0.388    27.768    0.000    0.000
LGA    A    88_A      A    88_A    28.301     0    0.567   0.529    30.541    0.000    0.000
LGA    P    89_A      P    89_A    27.879     0    0.036   0.061    27.879    0.000    0.000
LGA    A    90_A      A    90_A    26.052     0    0.669   0.626    27.986    0.000    0.000
LGA    C    91_A      C    91_A    28.470     0    0.418   0.963    29.151    0.000    0.000
LGA    N    92_A      N    92_A    26.385     0    0.731   1.279    28.511    0.000    0.000
LGA    I    93_A      I    93_A    25.845     0    0.586   0.984    26.812    0.000    0.000
LGA    P    94_A      P    94_A    29.697     0    0.729   0.706    33.272    0.000    0.000
LGA    A    95_A      A    95_A    32.537     0    0.108   0.108    35.583    0.000    0.000
LGA    I    96_A      I    96_A    34.377     0    0.021   1.484    37.528    0.000    0.000
LGA    D    97_A      D    97_A    36.147     0    0.032   0.913    39.114    0.000    0.000
LGA    L    98_A      L    98_A    38.447     0    0.189   1.009    42.689    0.000    0.000
LGA    I    99_A      I    99_A    42.525     0    0.088   1.512    45.388    0.000    0.000
LGA    Q   100_A      Q   100_A    43.991     0    0.031   1.155    46.321    0.000    0.000
LGA    Q   101_A      Q   101_A    43.242     0    0.065   0.959    45.821    0.000    0.000
LGA    K   102_A      K   102_A    45.823     0    0.039   1.240    53.327    0.000    0.000
LGA    L   103_A      L   103_A    50.816     0    0.033   0.910    53.622    0.000    0.000
LGA    S   104_A      S   104_A    51.004     0    0.053   0.690    53.494    0.000    0.000
LGA    Y   105_A      Y   105_A    51.336     0    0.019   0.635    54.737    0.000    0.000
LGA    Y   106_A      Y   106_A    55.407     0    0.070   1.622    59.145    0.000    0.000
LGA    V   107_A      V   107_A    58.452     0    0.074   1.215    60.927    0.000    0.000
LGA    R   108_A      R   108_A    57.867     0    0.098   1.602    60.191    0.000    0.000
LGA    N   109_A      N   109_A    59.500     0    0.240   1.436    63.782    0.000    0.000
LGA    D   110_A      D   110_A    66.157     0    0.441   1.167    69.895    0.000    0.000
LGA    I   111_A      I   111_A    68.749     0    0.101   1.307    69.723    0.000    0.000
LGA    D   112_A      D   112_A    73.354     0    0.403   1.162    75.360    0.000    0.000
LGA    N   113_A      N   113_A    71.675     0    0.422   0.939    74.791    0.000    0.000
LGA    K   114_A      K   114_A    65.112     0    0.117   1.207    67.409    0.000    0.000
LGA    T   115_A      T   115_A    61.245     0    0.049   0.095    62.400    0.000    0.000
LGA    I   116_A      I   116_A    58.601     0    0.653   1.417    60.975    0.000    0.000
LGA    K   117_A      K   117_A    59.041     0    0.059   1.318    68.021    0.000    0.000
LGA    T   118_A      T   118_A    57.781     0    0.144   0.152    61.429    0.000    0.000
LGA    F   119_A      F   119_A    53.523     0    0.026   1.329    55.381    0.000    0.000
LGA    Y   120_A      Y   120_A    50.541     0    0.042   1.304    52.377    0.000    0.000
LGA    S   121_A      S   121_A    51.718     0    0.040   0.054    53.838    0.000    0.000
LGA    D   122_A      D   122_A    49.528     0    0.037   1.329    52.622    0.000    0.000
LGA    Y   123_A      Y   123_A    45.020     0    0.072   1.269    46.958    0.000    0.000
LGA    A   124_A      A   124_A    44.475     0    0.045   0.054    45.939    0.000    0.000
LGA    K   125_A      K   125_A    44.846     0    0.060   1.110    48.427    0.000    0.000
LGA    A   126_A      A   126_A    41.889     0    0.050   0.052    43.150    0.000    0.000
LGA    L   127_A      L   127_A    38.155     0    0.032   1.291    39.854    0.000    0.000
LGA    S   128_A      S   128_A    38.736     0    0.046   0.584    40.312    0.000    0.000
LGA    E   129_A      E   129_A    37.964     0    0.147   1.052    43.110    0.000    0.000
LGA    S   130_A      S   130_A    34.310     0    0.535   0.748    35.773    0.000    0.000
LGA    K   131_A      K   131_A    33.746     0    0.115   1.532    39.102    0.000    0.000
LGA    A   132_A      A   132_A    27.562     0    0.045   0.052    30.120    0.000    0.000
LGA    D   133_A      D   133_A    24.372     0    0.053   1.093    26.047    0.000    0.000
LGA    V   134_A      V   134_A    26.485     0    0.023   0.960    30.322    0.000    0.000
LGA    K   135_A      K   135_A    25.619     0    0.129   1.017    33.372    0.000    0.000
LGA    M   136_A      M   136_A    18.388     0    0.038   1.068    21.165    0.000    0.000
LGA    L   137_A      L   137_A    17.087     0    0.033   1.456    18.812    0.000    0.000
LGA    E   138_A      E   138_A    20.236     0    0.026   0.791    28.166    0.000    0.000
LGA    Y   139_A      Y   139_A    18.146     0    0.048   1.372    25.115    0.000    0.000
LGA    G   140_A      G   140_A    10.968     0    0.089   0.089    13.599    0.357    0.357
LGA    C   141_A      C   141_A    11.327     0    0.069   0.124    12.754    0.000    0.000
LGA    N   142_A      N   142_A    16.613     0    0.094   1.266    20.889    0.000    0.000
LGA    E   143_A      E   143_A    16.575     0    0.042   0.452    22.741    0.000    0.000
LGA    L   144_A      L   144_A    10.370     0    0.186   0.806    12.078    0.238    2.857
LGA    K   145_A      K   145_A     8.874     0    0.409   0.979    17.993    2.262    1.005
LGA    S   146_A      S   146_A     8.973     0    0.467   0.929     9.706    4.762    3.730
LGA    A   147_A      A   147_A     9.245     0    0.108   0.108    11.381    6.071    4.857
LGA    Y   148_A      Y   148_A     6.146     0    0.116   1.380    16.617   26.190   10.000
LGA    I   149_A      I   149_A     1.169     0    0.037   0.628     3.290   77.619   71.667
LGA    C   150_A      C   150_A     2.459     0    0.292   0.289     3.511   64.762   58.730
LGA    R   151_A      R   151_A     2.380     0    0.091   1.400     8.023   64.762   48.312
LGA    D   152_A      D   152_A     3.414     0    0.020   0.155     6.167   53.571   40.119
LGA    L   153_A      L   153_A     3.008     0    0.032   1.429     5.903   57.262   53.155
LGA    R   154_A      R   154_A     2.097     0    0.029   1.225     3.126   68.810   67.100
LGA    D   155_A      D   155_A     1.964     0    0.027   0.839     5.491   72.857   54.762
LGA    M   156_A      M   156_A     2.055     0    0.069   1.470     8.833   70.833   48.810
LGA    Y   157_A      Y   157_A     2.158     0    0.055   1.407     4.501   63.095   57.143
LGA    K   158_A      K   158_A     3.262     0    0.061   1.143     7.136   52.024   42.910
LGA    Y   159_A      Y   159_A     2.805     0    0.191   1.438    11.660   55.357   29.683
LGA    L   160_A      L   160_A     2.430     0    0.147   0.176     3.727   55.714   54.702
LGA    G   161_A      G   161_A     5.607     0    0.628   0.628     5.607   34.762   34.762
LGA    D   162_A      D   162_A     3.527     0    0.577   0.578     6.437   40.238   30.893
LGA    K   163_A      K   163_A     5.484     0    0.631   0.863    14.675   29.048   13.757
LGA    E   164_A      E   164_A     3.016     0    0.600   0.602     9.419   65.119   35.979
LGA    K   165_A      K   165_A     1.839     0    0.293   1.013     4.329   70.833   59.524
LGA    T   166_A      T   166_A     2.183     0    0.019   1.053     4.721   64.762   58.912
LGA    K   167_A      K   167_A     2.094     0    0.032   0.478     2.367   68.810   67.460
LGA    E   168_A      E   168_A     1.894     0    0.020   0.235     2.097   72.857   71.958
LGA    Y   169_A      Y   169_A     2.054     0    0.053   0.139     3.226   64.762   61.627
LGA    N   170_A      N   170_A     2.418     0    0.052   0.340     3.567   64.762   57.440
LGA    D   171_A      D   171_A     2.253     0    0.013   0.103     2.673   64.762   63.810
LGA    K   172_A      K   172_A     1.498     0    0.047   1.193     4.687   75.000   68.624
LGA    M   173_A      M   173_A     2.092     0    0.099   1.007     4.626   64.881   57.202
LGA    K   174_A      K   174_A     2.211     0    0.703   0.778     6.758   64.881   47.831
LGA    N   175_A      N   175_A     2.909     0    0.535   0.728     3.400   57.262   59.107
LGA    G   176_A      G   176_A     6.342     0    0.633   0.633     6.342   24.048   24.048
LGA    D   177_A      D   177_A     6.289     0    0.424   1.121    11.301   19.405   10.298
LGA    E   178_A      E   178_A     3.842     0    0.627   1.420     9.961   31.310   20.212
LGA    K   179_A      K   179_A     5.721     0    0.719   1.222    15.926   31.786   15.397
LGA    W   180_A      W   180_A     1.788     0    0.256   1.019    10.355   57.976   39.966
LGA    N   181_A      N   181_A     3.265     0    0.340   0.542     8.013   56.190   37.143
LGA    S   182_A      S   182_A     7.083     0    0.101   0.161     9.862   10.833    8.095
LGA    V   183_A      V   183_A    11.008     0    0.098   1.088    12.987    0.119    0.068
LGA    L   184_A      L   184_A    13.423     0    0.107   0.943    15.632    0.000    0.000
LGA    Y   185_A      Y   185_A    12.502     0    0.268   0.756    15.150    0.000    2.024
LGA    D   186_A      D   186_A    13.709     0    0.256   1.059    16.789    0.000    0.000
LGA    Y   187_A      Y   187_A    19.754     0    0.654   0.468    22.735    0.000    0.000
LGA    K   188_A      K   188_A    21.634     0    0.484   0.977    24.378    0.000    0.000
LGA    H   189_A      H   189_A    19.590     0    0.528   1.254    21.707    0.000    0.000
LGA    M   190_A      M   190_A    19.710     0    0.686   0.893    21.980    0.000    0.000
LGA    R   191_A      R   191_A    16.658     0    0.677   1.158    17.566    0.000    0.000
LGA    Y   192_A      Y   192_A    17.761     0    0.606   1.279    24.755    0.000    0.000
LGA    I   193_A      I   193_A    14.247     0    0.111   0.638    16.566    0.000    0.357
LGA    H   194_A      H   194_A    20.864     0    0.221   0.537    28.083    0.000    0.000
LGA    G   195_A      G   195_A    24.295     0    0.625   0.625    26.480    0.000    0.000
LGA    G   196_A      G   196_A    28.291     0    0.137   0.137    29.700    0.000    0.000
LGA    Y   197_A      Y   197_A    27.708     0    0.278   1.049    28.593    0.000    0.000
LGA    S   198_A      S   198_A    28.993     0    0.620   0.536    30.640    0.000    0.000
LGA    S   199_A      S   199_A    34.615     0    0.050   0.084    36.812    0.000    0.000
LGA    W   200_A      W   200_A    37.533     0    0.055   0.394    47.636    0.000    0.000
LGA    W   201_A      W   201_A    32.237     0    0.052   0.271    33.629    0.000    0.000
LGA    L   202_A      L   202_A    32.788     0    0.042   1.028    35.038    0.000    0.000
LGA    L   203_A      L   203_A    39.336     0    0.057   0.236    44.440    0.000    0.000
LGA    E   204_A      E   204_A    37.722     0    0.121   1.327    38.118    0.000    0.000
LGA    K   205_A      K   205_A    33.109     0    0.277   0.932    34.626    0.000    0.000
LGA    I   206_A      I   206_A    37.723     0    0.605   0.897    41.611    0.000    0.000
LGA    K   207_A      K   207_A    41.941     0    0.280   1.230    43.657    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1714   1714  100.00               207
SUMMARY(RMSD_GDC):    23.795         23.799                 24.420            9.328    7.712

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     28    2.51    14.493    12.178     1.072

LGA_LOCAL      RMSD:   2.512  Number of atoms:   28  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  32.889  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  23.795  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.905761 * X  +   0.041746 * Y  +   0.421729 * Z  +  57.016369
  Y_new =  -0.013506 * X  +   0.991787 * Y  +  -0.127183 * Z  + -134.686768
  Z_new =  -0.423575 * X  +  -0.120894 * Y  +  -0.897758 * Z  +  68.759148 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.126682  0.437388 -3.007736   [DEG: -179.1457   25.0605 -172.3306 ]
ZXZ:  1.277894  2.685449 -1.848817   [DEG:   73.2179  153.8649 -105.9294 ]
 
# END of job
