
#######################################################
#                                                     #
#                        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:    42      94_A - 135_A       4.95    31.02
  LCS_AVERAGE:     15.97

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      46_A - 66_A        1.81    42.19
  LCS_AVERAGE:      6.53

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      49_A - 65_A        0.66    43.04
  LCS_AVERAGE:      4.61

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      4    5   15      3    4    4    4    5    5    6    6   10   14   28   30   33   35   44   46   50   52   53   56 
LCS_GDT     I     2_A     I     2_A      4    5   15      3    4    6    8    9    9   11   11   15   16   20   23   27   35   44   46   50   52   53   56 
LCS_GDT     D     3_A     D     3_A      4    5   15      4    4    4    8    9    9   11   11   15   16   20   26   32   35   44   46   50   52   53   56 
LCS_GDT     P     4_A     P     4_A      4    5   15      4    4    4    5    7   11   12   16   17   20   23   27   32   33   44   46   50   52   53   56 
LCS_GDT     F     5_A     F     5_A      4    5   15      4    4    4    5    7   11   11   13   15   17   27   31   33   38   44   46   50   52   53   56 
LCS_GDT     T     6_A     T     6_A      4    7   15      4    4    4    5    7    7    8   11   14   16   20   30   33   38   44   46   50   52   53   56 
LCS_GDT     W     7_A     W     7_A      4    7   15      3    4    4    5    7   12   18   21   24   27   30   32   34   38   44   46   50   52   53   54 
LCS_GDT     G     8_A     G     8_A      4    7   15      3    4    4    5    7   11   17   20   24   29   32   33   40   44   46   51   53   56   58   60 
LCS_GDT     F     9_A     F     9_A      4    7   15      3    4    4    5    7   10   14   18   21   26   30   32   35   39   44   49   52   55   58   60 
LCS_GDT     G    10_A     G    10_A      4    7   15      3    4    4    5    7    7   11   11   19   23   26   30   38   39   45   49   53   56   58   60 
LCS_GDT     G    11_A     G    11_A      4    7   24      3    4    4    5    7   10   16   19   23   31   35   36   40   45   50   54   55   57   60   62 
LCS_GDT     S    12_A     S    12_A      4    7   24      2    4    4    5    7    8   12   18   24   32   36   40   44   48   52   54   56   60   62   64 
LCS_GDT     S    13_A     S    13_A      4    6   24      1    4    4    5    6    7    8   11   15   22   29   37   44   48   52   54   56   60   62   64 
LCS_GDT     K    14_A     K    14_A      4    6   24      1    4    4    5    7    8   17   19   22   25   31   34   36   39   44   49   51   56   60   64 
LCS_GDT     E    15_A     E    15_A      4    6   24      2    4    4    5    7    8    8   12   17   22   31   34   36   39   44   48   51   55   58   60 
LCS_GDT     K    16_A     K    16_A      4    6   24      2    4    4    5    7    9   11   15   19   24   31   34   36   40   44   49   51   55   58   60 
LCS_GDT     P    17_A     P    17_A      4    6   24      3    4    4    5    7   10   14   15   19   25   31   34   37   41   44   49   51   55   58   60 
LCS_GDT     N    18_A     N    18_A      3    6   24      3    3    4    5    7    8   10   16   19   23   29   32   36   41   44   49   51   55   58   60 
LCS_GDT     Y    19_A     Y    19_A      3    6   24      3    3    3    4    6   10   18   24   26   28   32   34   37   41   44   48   51   55   58   59 
LCS_GDT     D    20_A     D    20_A      3   13   28      3    3    4   10   12   14   15   16   20   23   25   28   31   31   34   38   41   46   48   52 
LCS_GDT     Y    21_A     Y    21_A     11   13   28      4   10   11   11   12   14   15   16   20   23   25   28   31   31   38   40   46   47   50   53 
LCS_GDT     S    22_A     S    22_A     11   13   28      9   10   11   11   12   14   15   17   20   24   25   28   31   31   38   40   46   47   49   53 
LCS_GDT     A    23_A     A    23_A     11   13   28      9   10   11   13   15   18   21   23   25   26   26   29   31   33   38   40   46   47   50   53 
LCS_GDT     D    24_A     D    24_A     11   13   28      9   10   11   11   14   15   19   22   24   26   26   29   31   33   38   40   46   47   50   53 
LCS_GDT     K    25_A     K    25_A     11   13   28      9   10   11   11   12   14   15   16   20   23   25   28   31   32   38   40   46   47   50   53 
LCS_GDT     K    26_A     K    26_A     11   13   28      9   10   11   11   12   14   15   16   20   23   25   28   31   32   38   40   46   47   50   53 
LCS_GDT     L    27_A     L    27_A     11   13   28      9   10   11   11   12   14   15   16   19   23   25   29   31   33   38   40   46   47   50   53 
LCS_GDT     I    28_A     I    28_A     11   13   28      9   10   11   11   12   14   15   16   19   20   25   28   31   32   35   40   43   47   50   53 
LCS_GDT     E    29_A     E    29_A     11   13   28      9   10   11   11   12   14   15   16   19   20   21   22   23   26   35   37   46   47   49   53 
LCS_GDT     I    30_A     I    30_A     11   13   28      9   10   11   11   12   14   15   16   19   20   21   22   26   32   38   40   46   47   50   53 
LCS_GDT     N    31_A     N    31_A     11   13   28      3    9   11   11   12   14   15   16   19   20   21   22   23   28   36   40   43   46   50   53 
LCS_GDT     T    32_A     T    32_A      3   13   28      3    4    5    8   11   13   15   15   19   20   21   22   23   27   32   36   42   45   50   53 
LCS_GDT     R    33_A     R    33_A      3    4   31      3    4    5    5    5   11   13   14   19   23   25   28   31   32   34   37   39   42   44   48 
LCS_GDT     P    34_A     P    34_A      4    4   33      4    5    5    5    8   11   12   14   17   20   22   24   26   30   34   37   39   42   44   46 
LCS_GDT     I    35_A     I    35_A      4    5   34      4    5    5    5    6    8   12   15   20   23   25   28   31   31   34   37   39   42   44   46 
LCS_GDT     S    36_A     S    36_A      4   12   34      4    5    9   10   11   11   12   15   20   23   25   28   31   32   34   37   39   42   44   46 
LCS_GDT     T    37_A     T    37_A      9   12   34      5    8    9   10   11   11   12   16   20   23   25   29   31   33   34   37   39   42   44   46 
LCS_GDT     D    38_A     D    38_A      9   12   34      5    8    9   10   11   13   16   21   23   25   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     N    39_A     N    39_A      9   12   34      5   10   14   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     A    40_A     A    40_A      9   12   34      5    8    9   10   11   11   12   15   18   21   25   29   31   33   34   37   39   42   44   46 
LCS_GDT     K    41_A     K    41_A      9   12   34      5    8    9   10   11   11   12   15   20   23   25   29   31   33   34   37   39   42   44   46 
LCS_GDT     Y    42_A     Y    42_A      9   12   34      5    8    9   11   17   20   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     W    43_A     W    43_A      9   12   34      5    8    9   10   18   19   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     C    44_A     C    44_A      9   12   34      5    8    9   10   11   11   12   13   16   19   22   25   28   31   34   37   39   42   44   46 
LCS_GDT     F    45_A     F    45_A      9   12   34      3    8    9   10   11   11   12   15   21   25   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     D    46_A     D    46_A      9   21   34      3    4    9   14   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     K    47_A     K    47_A      4   21   34      3    6    9   13   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     G    48_A     G    48_A      6   21   34      3    6   12   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     N    49_A     N    49_A     17   21   34      4   14   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     D    50_A     D    50_A     17   21   34      5   15   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     L    51_A     L    51_A     17   21   34     12   15   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     G    52_A     G    52_A     17   21   34     10   15   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     C    53_A     C    53_A     17   21   34     10   15   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     L    54_A     L    54_A     17   21   34     12   15   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     S    55_A     S    55_A     17   21   34     12   15   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     L    56_A     L    56_A     17   21   34     12   15   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     E    57_A     E    57_A     17   21   34     12   15   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     K    58_A     K    58_A     17   21   34     12   15   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   46 
LCS_GDT     L    59_A     L    59_A     17   21   34     12   15   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   42   44   48 
LCS_GDT     E    60_A     E    60_A     17   21   34     12   15   17   18   20   21   22   23   25   26   26   29   31   33   34   37   39   43   45   52 
LCS_GDT     A    61_A     A    61_A     17   21   34     12   15   17   18   20   21   22   23   25   26   26   29   31   33   36   40   43   46   50   53 
LCS_GDT     L    62_A     L    62_A     17   21   34     12   15   17   18   20   21   22   23   25   26   26   30   31   33   38   40   46   47   50   53 
LCS_GDT     E    63_A     E    63_A     17   21   34     12   15   17   18   20   21   22   23   25   26   26   30   32   33   38   40   46   47   50   53 
LCS_GDT     S    64_A     S    64_A     17   21   34     12   15   17   18   20   21   22   23   25   27   29   31   32   33   38   40   46   47   50   53 
LCS_GDT     K    65_A     K    65_A     17   21   34      8   15   17   18   20   21   22   23   25   27   29   31   32   33   38   40   46   47   50   53 
LCS_GDT     D    66_A     D    66_A     11   21   34      4   10   13   15   18   19   22   23   25   27   29   31   32   33   38   40   46   47   50   53 
LCS_GDT     L    67_A     L    67_A     11   19   34      7   10   13   15   18   19   22   22   25   27   29   31   32   33   38   40   46   47   50   53 
LCS_GDT     K    68_A     K    68_A     11   19   34      7   10   13   15   18   19   22   22   25   27   29   31   32   33   36   40   46   47   50   53 
LCS_GDT     K    69_A     K    69_A     11   19   34      7   10   13   15   18   19   22   22   25   27   29   31   32   33   38   40   46   47   50   53 
LCS_GDT     V    70_A     V    70_A     11   19   33      7   10   13   15   18   19   22   22   25   27   29   31   32   33   38   40   46   47   50   53 
LCS_GDT     V    71_A     V    71_A     11   19   32      7   10   13   15   18   19   22   22   25   27   29   31   32   33   38   40   46   47   50   53 
LCS_GDT     K    72_A     K    72_A     11   19   32      6   10   13   15   18   19   22   22   25   27   29   31   33   34   41   45   49   54   60   64 
LCS_GDT     F    73_A     F    73_A     11   19   32      6   10   12   15   18   19   22   22   25   27   29   31   32   34   42   46   50   55   60   64 
LCS_GDT     Y    74_A     Y    74_A     11   19   32      7   10   12   15   18   18   22   22   25   27   29   31   32   34   41   45   50   55   60   64 
LCS_GDT     E    75_A     E    75_A     11   19   32      7   10   13   15   18   19   22   22   25   29   33   36   40   46   50   54   55   56   60   64 
LCS_GDT     K    76_A     K    76_A     11   19   32      6    9   13   15   18   20   22   24   28   31   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     T    77_A     T    77_A      9   19   32      6    9   13   15   18   19   22   22   25   27   31   37   44   47   52   54   56   60   62   64 
LCS_GDT     I    78_A     I    78_A      9   19   32      6    9   13   14   18   20   22   24   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     P    79_A     P    79_A      9   19   32      6    9   13   15   18   19   22   22   27   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     E    80_A     E    80_A      9   19   32      6    9   13   15   18   19   22   22   25   27   29   32   39   45   50   53   56   60   62   64 
LCS_GDT     Y    81_A     Y    81_A      9   19   32      6    9   10   14   18   19   22   22   25   25   27   29   36   40   49   53   56   60   62   64 
LCS_GDT     C    82_A     C    82_A      9   19   32      6    9   10   14   18   19   22   22   25   25   33   35   38   43   49   53   56   60   62   64 
LCS_GDT     Y    83_A     Y    83_A      9   19   32      6    9   12   15   18   19   22   22   25   27   29   31   32   33   38   40   47   52   53   56 
LCS_GDT     D    84_A     D    84_A      3   19   32      3    3    8   13   16   18   19   21   25   27   29   31   32   33   38   40   46   47   53   59 
LCS_GDT     K    85_A     K    85_A      3    7   32      3    3   10   13   15   17   19   21   23   27   29   31   32   33   38   40   46   51   56   59 
LCS_GDT     K    86_A     K    86_A      4    7   32      3    4    5    6    7   10   16   19   23   27   29   31   32   33   38   40   46   47   50   53 
LCS_GDT     F    87_A     F    87_A      4    7   34      3    4    5    6   14   16   18   21   23   27   29   31   32   34   38   43   49   53   58   61 
LCS_GDT     A    88_A     A    88_A      4    7   34      2    4   11   14   16   17   19   19   23   27   29   31   32   33   38   40   46   47   50   53 
LCS_GDT     P    89_A     P    89_A      4    7   36      3    4    8   12   16   17   19   21   23   27   29   31   32   33   38   40   46   47   50   53 
LCS_GDT     A    90_A     A    90_A      3    7   37      3    3    4    8   14   16   19   21   23   27   29   33   39   43   46   49   52   57   62   64 
LCS_GDT     C    91_A     C    91_A      4    6   37      3    4    5    6    8   11   19   21   23   27   29   33   39   43   46   51   56   60   62   64 
LCS_GDT     N    92_A     N    92_A      4    5   37      3    4    5    6    8   10   13   17   21   24   29   32   36   43   46   49   56   60   62   64 
LCS_GDT     I    93_A     I    93_A      4    5   38      3    4   10   14   16   17   19   19   22   24   27   34   39   44   49   53   56   60   62   64 
LCS_GDT     P    94_A     P    94_A      6   17   42      4    5   13   14   15   19   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     A    95_A     A    95_A      6   17   42      4    5   10   14   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     I    96_A     I    96_A      6   17   42      4    5    7    8   14   17   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     D    97_A     D    97_A      6   17   42      4    5   10   15   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     L    98_A     L    98_A     13   17   42      4   12   13   14   15   17   21   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     I    99_A     I    99_A     13   17   42      9   12   13   14   16   17   21   22   24   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     Q   100_A     Q   100_A     13   17   42      9   12   13   14   16   17   19   19   22   27   33   41   45   48   52   54   56   60   62   64 
LCS_GDT     Q   101_A     Q   101_A     13   17   42      9   12   15   15   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     K   102_A     K   102_A     13   17   42      9   12   13   14   16   18   21   22   25   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     L   103_A     L   103_A     13   17   42      9   12   13   14   16   17   19   19   22   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     S   104_A     S   104_A     13   17   42      9   12   13   14   16   17   21   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     Y   105_A     Y   105_A     13   17   42      9   12   13   14   16   17   21   22   27   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     Y   106_A     Y   106_A     13   17   42      9   12   13   14   16   17   19   21   24   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     V   107_A     V   107_A     13   17   42      9   12   13   14   16   17   19   19   25   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     R   108_A     R   108_A     13   17   42      9   12   13   14   16   18   21   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     N   109_A     N   109_A     13   17   42      8   12   13   14   16   17   19   21   24   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     D   110_A     D   110_A     13   17   42      3    8   12   14   16   17   19   21   24   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     I   111_A     I   111_A      3    6   42      3    3    5    5    8   11   16   19   24   30   35   37   43   48   52   54   56   60   62   64 
LCS_GDT     D   112_A     D   112_A      4    6   42      3    4    4    5    8   10   13   16   18   22   27   32   38   40   43   50   54   60   62   64 
LCS_GDT     N   113_A     N   113_A      4    6   42      3    4    4    5    8   11   16   19   25   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     K   114_A     K   114_A      4    6   42      3    4    5    5    8   11   16   20   25   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     T   115_A     T   115_A      4   17   42      3    4    7   13   15   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     I   116_A     I   116_A      7   17   42      3    7   15   15   17   19   21   23   27   29   32   35   40   46   49   52   55   58   60   62 
LCS_GDT     K   117_A     K   117_A      7   17   42      3    4    6    8   16   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     T   118_A     T   118_A     14   17   42      7   13   15   15   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     F   119_A     F   119_A     14   17   42     12   13   15   15   17   20   22   25   28   32   36   42   45   48   52   54   56   60   62   64 
LCS_GDT     Y   120_A     Y   120_A     14   17   42     12   13   15   15   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     S   121_A     S   121_A     14   17   42     12   13   15   15   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     D   122_A     D   122_A     14   17   42     12   13   15   15   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     Y   123_A     Y   123_A     14   17   42     12   13   15   15   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     A   124_A     A   124_A     14   17   42     12   13   15   15   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     K   125_A     K   125_A     14   17   42     12   13   15   15   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     A   126_A     A   126_A     14   17   42     12   13   15   15   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     L   127_A     L   127_A     14   17   42     12   13   15   15   17   20   22   25   28   32   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     S   128_A     S   128_A     14   17   42     12   13   15   15   17   20   22   25   28   31   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     E   129_A     E   129_A     14   17   42     12   13   15   15   17   19   22   25   28   31   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     S   130_A     S   130_A     15   17   42     12   13   15   16   17   19   22   25   28   30   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     K   131_A     K   131_A     15   17   42     12   13   15   16   16   19   21   22   25   29   32   34   37   46   47   50   53   57   59   62 
LCS_GDT     A   132_A     A   132_A     15   17   42     12   13   15   16   16   17   17   20   26   29   32   35   38   46   47   53   54   57   60   64 
LCS_GDT     D   133_A     D   133_A     15   17   42     12   13   15   16   16   20   22   24   28   31   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     V   134_A     V   134_A     15   17   42     12   13   15   16   16   17   19   25   28   30   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     K   135_A     K   135_A     15   17   42     12   13   15   16   16   20   22   25   28   30   38   42   45   48   51   54   55   60   62   64 
LCS_GDT     M   136_A     M   136_A     15   17   40     12   13   15   16   16   17   17   21   25   29   36   42   45   48   52   54   56   60   62   64 
LCS_GDT     L   137_A     L   137_A     15   17   36     12   13   15   16   16   17   17   17   21   26   36   40   45   48   52   54   56   60   62   64 
LCS_GDT     E   138_A     E   138_A     15   17   34     12   13   15   16   16   17   17   21   27   31   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     Y   139_A     Y   139_A     15   17   34     12   13   15   16   16   17   17   20   25   31   38   42   45   48   52   54   56   60   62   64 
LCS_GDT     G   140_A     G   140_A     15   17   37     12   13   15   16   16   17   17   17   21   24   29   37   44   48   52   54   56   60   62   64 
LCS_GDT     C   141_A     C   141_A     15   17   37     12   13   15   16   16   17   17   17   21   23   28   33   39   44   52   54   56   60   62   64 
LCS_GDT     N   142_A     N   142_A     15   17   37      4   13   15   16   16   17   17   17   21   26   32   36   44   48   52   54   56   60   62   64 
LCS_GDT     E   143_A     E   143_A     15   17   37      4   10   15   16   16   17   17   17   21   26   34   40   45   48   52   54   56   60   62   64 
LCS_GDT     L   144_A     L   144_A     15   17   37      4    5   15   16   16   17   20   21   24   27   30   31   38   45   52   54   56   60   62   64 
LCS_GDT     K   145_A     K   145_A      5   17   37      4    4   13   16   16   17   20   22   24   27   30   31   35   40   46   52   55   59   62   64 
LCS_GDT     S   146_A     S   146_A      3    6   37      3    3    3    6    7   12   20   22   24   27   30   30   33   35   38   40   45   49   56   64 
LCS_GDT     A   147_A     A   147_A      4    6   37      3    5    6    6    8   10   15   17   23   25   28   30   31   32   35   39   40   43   45   50 
LCS_GDT     Y   148_A     Y   148_A      4   16   37      3    5    6    6    7   13   18   21   24   27   28   30   31   32   33   34   37   39   42   45 
LCS_GDT     I   149_A     I   149_A     11   16   37      3    5    9   13   16   23   27   28   29   30   32   33   37   41   44   49   51   55   58   60 
LCS_GDT     C   150_A     C   150_A     12   16   37     10   12   12   13   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     R   151_A     R   151_A     12   16   37     10   12   12   13   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     D   152_A     D   152_A     12   16   37     10   12   12   13   16   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     L   153_A     L   153_A     12   16   37     10   12   12   13   16   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     R   154_A     R   154_A     12   16   37     10   12   12   13   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     D   155_A     D   155_A     12   16   37     10   12   12   13   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     M   156_A     M   156_A     12   16   37     10   12   12   13   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     Y   157_A     Y   157_A     12   16   37     10   12   12   13   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     K   158_A     K   158_A     12   16   37     10   12   12   13   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     Y   159_A     Y   159_A     12   16   37     10   12   12   13   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     L   160_A     L   160_A     12   16   37      7   12   12   13   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     G   161_A     G   161_A     12   16   37      4   12   12   13   15   19   25   28   28   29   31   34   36   41   44   49   51   55   58   60 
LCS_GDT     D   162_A     D   162_A      3   16   37      3    3    3    4   13   21   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     K   163_A     K   163_A      3   16   37      3   12   12   13   15   20   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     E   164_A     E   164_A     13   16   37      3    4    9   11   14   21   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     K   165_A     K   165_A     13   16   37      6   12   12   12   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     T   166_A     T   166_A     13   14   37      8   12   12   12   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     K   167_A     K   167_A     13   14   37      8   12   12   12   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     E   168_A     E   168_A     13   14   37      8   12   12   12   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     Y   169_A     Y   169_A     13   14   37      8   12   12   12   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     N   170_A     N   170_A     13   14   37      8   12   12   12   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     D   171_A     D   171_A     13   14   37      8   12   12   12   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     K   172_A     K   172_A     13   14   37      8   12   12   12   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     M   173_A     M   173_A     13   14   37      8   12   12   12   17   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     K   174_A     K   174_A     13   14   37      4   12   12   12   18   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     N   175_A     N   175_A     13   14   37      4   12   12   12   17   23   27   28   29   30   32   34   37   41   44   49   51   55   58   60 
LCS_GDT     G   176_A     G   176_A     13   14   37      4   12   12   12   17   21   27   28   29   30   32   34   37   41   44   49   51   55   58   61 
LCS_GDT     D   177_A     D   177_A      3   14   37      3    3    4    4   13   21   24   27   29   30   32   34   37   41   45   49   51   56   58   62 
LCS_GDT     E   178_A     E   178_A      3   14   37      3    3    4    6    9   10   17   25   29   30   32   33   39   43   46   49   51   57   58   63 
LCS_GDT     K   179_A     K   179_A      3    7   37      3    3    4    5    8   17   21   23   26   30   32   34   39   43   46   49   51   57   59   63 
LCS_GDT     W   180_A     W   180_A      4    5   37      3    4    4   12   14   16   21   22   26   29   32   33   37   43   46   49   51   57   58   62 
LCS_GDT     N   181_A     N   181_A      4    5   37      3    4    4    6    9   10   11   17   21   24   29   34   39   43   46   49   51   57   58   62 
LCS_GDT     S   182_A     S   182_A      4    5   37      3    4    4   10   14   16   21   22   26   29   31   33   39   43   46   49   51   57   59   63 
LCS_GDT     V   183_A     V   183_A      4    5   37      3    4    4    5    5    7    9   11   15   17   21   29   34   41   46   49   51   57   59   63 
LCS_GDT     L   184_A     L   184_A      3    7   37      3    3    5    6    7    8   10   16   21   23   26   31   37   41   44   49   51   56   60   64 
LCS_GDT     Y   185_A     Y   185_A      5    7   35      3    4    5    6    7    9   13   16   21   23   27   29   33   39   44   50   55   57   60   64 
LCS_GDT     D   186_A     D   186_A      5    7   28      3    4    5    6    7    7   10   12   21   23   26   27   29   31   40   45   50   55   58   60 
LCS_GDT     Y   187_A     Y   187_A      5    7   28      3    4    5    6    7    8   12   14   19   21   27   29   30   32   40   45   50   55   58   60 
LCS_GDT     K   188_A     K   188_A      5    7   28      3    4    9   14   17   19   22   22   25   25   27   29   30   31   38   42   48   54   58   60 
LCS_GDT     H   189_A     H   189_A      5    7   28      3    4    5    6    7   11   17   20   25   25   27   29   34   40   44   49   51   55   60   64 
LCS_GDT     M   190_A     M   190_A      4    7   28      3    4    4    5    7    8   10   11   13   22   27   31   36   41   44   49   51   55   58   60 
LCS_GDT     R   191_A     R   191_A      4    5   28      3    4    4    4    5   10   18   20   25   25   30   34   37   41   44   49   51   55   59   64 
LCS_GDT     Y   192_A     Y   192_A      4    5   20      3    4    9   14   17   19   22   22   25   25   31   34   37   41   44   49   51   55   60   64 
LCS_GDT     I   193_A     I   193_A      3    5   20      3    3    4   12   16   18   22   22   25   25   30   34   37   41   44   49   51   55   59   64 
LCS_GDT     H   194_A     H   194_A      4    5   20      3    3    4    4   17   19   22   22   25   25   27   31   35   40   44   49   51   55   58   62 
LCS_GDT     G   195_A     G   195_A      4    5   20      3    3    4    5    6    8    9   10   11   17   27   29   33   39   44   49   51   55   58   60 
LCS_GDT     G   196_A     G   196_A      4    5   17      3    3    4    5    6    8    9   12   13   14   17   20   25   32   33   40   46   51   57   60 
LCS_GDT     Y   197_A     Y   197_A      4   10   17      3    3    4    5    6    7    9   12   15   17   19   21   26   32   35   40   46   51   57   64 
LCS_GDT     S   198_A     S   198_A     10   10   17      5    9   10   11   12   12   12   12   15   17   20   23   27   32   35   40   46   51   60   64 
LCS_GDT     S   199_A     S   199_A     10   10   17      5    9   10   11   12   12   12   12   15   17   19   20   25   32   33   40   46   50   57   59 
LCS_GDT     W   200_A     W   200_A     10   10   17      5    9   10   11   12   12   12   12   15   17   19   19   23   24   33   38   46   50   54   58 
LCS_GDT     W   201_A     W   201_A     10   10   17      5    9   10   11   12   12   12   12   15   17   19   20   25   32   33   38   46   50   55   62 
LCS_GDT     L   202_A     L   202_A     10   10   17      5    9   10   11   12   12   12   12   15   17   19   21   26   32   38   41   46   51   57   60 
LCS_GDT     L   203_A     L   203_A     10   10   17      5    9   10   11   12   12   12   12   15   17   19   20   26   32   38   41   46   51   57   60 
LCS_GDT     E   204_A     E   204_A     10   10   17      3    9   10   11   12   12   12   12   15   17   19   20   25   32   33   41   46   50   54   59 
LCS_GDT     K   205_A     K   205_A     10   10   17      3    9   10   11   12   12   12   12   15   17   19   20   26   32   38   41   46   50   55   59 
LCS_GDT     I   206_A     I   206_A     10   10   17      3    9   10   11   12   12   12   12   15   17   19   20   26   32   38   41   46   51   57   60 
LCS_GDT     K   207_A     K   207_A     10   10   17      3    3    3   10   12   12   12   12   15   17   19   20   26   32   38   41   46   51   57   60 
LCS_AVERAGE  LCS_A:   9.03  (   4.61    6.53   15.97 )

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     12     15     17     18     20     23     27     28     29     32     38     42     45     48     52     54     56     60     62     64 
GDT PERCENT_AT   5.80   7.25   8.21   8.70   9.66  11.11  13.04  13.53  14.01  15.46  18.36  20.29  21.74  23.19  25.12  26.09  27.05  28.99  29.95  30.92
GDT RMS_LOCAL    0.28   0.47   0.66   0.91   1.36   2.23   2.52   2.59   2.94   3.93   4.22   4.39   4.63   4.86   5.28   5.42   5.69   5.94   6.19   6.37
GDT RMS_ALL_AT  28.27  43.33  43.04  43.23  42.66  32.92  32.53  32.51  32.19  30.18  29.86  29.89  29.58  29.60  29.01  28.96  28.98  29.21  29.01  28.85

# Checking swapping
#   possible swapping detected:  F     5_A      F     5_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  F    45_A      F    45_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  Y    74_A      Y    74_A
#   possible swapping detected:  E    80_A      E    80_A
#   possible swapping detected:  Y    81_A      Y    81_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  D    97_A      D    97_A
#   possible swapping detected:  Y   106_A      Y   106_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  D   133_A      D   133_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  Y   148_A      Y   148_A
#   possible swapping detected:  D   152_A      D   152_A
#   possible swapping detected:  D   155_A      D   155_A
#   possible swapping detected:  D   162_A      D   162_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  Y   169_A      Y   169_A
#   possible swapping detected:  D   171_A      D   171_A
#   possible swapping detected:  D   177_A      D   177_A
#   possible swapping detected:  Y   185_A      Y   185_A
#   possible swapping detected:  D   186_A      D   186_A
#   possible swapping detected:  Y   187_A      Y   187_A
#   possible swapping detected:  Y   192_A      Y   192_A
#   possible swapping detected:  E   204_A      E   204_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    44.701     0    0.031   0.031    45.304    0.000    0.000
LGA    I     2_A      I     2_A    40.699     0    0.057   0.120    42.579    0.000    0.000
LGA    D     3_A      D     3_A    38.462     0    0.071   0.994    40.132    0.000    0.000
LGA    P     4_A      P     4_A    39.306     0    0.077   0.364    39.306    0.000    0.000
LGA    F     5_A      F     5_A    34.793     0    0.205   0.720    36.099    0.000    0.000
LGA    T     6_A      T     6_A    38.134     0    0.435   1.035    42.762    0.000    0.000
LGA    W     7_A      W     7_A    34.738     0    0.462   0.988    36.536    0.000    0.000
LGA    G     8_A      G     8_A    32.255     0    0.161   0.161    33.266    0.000    0.000
LGA    F     9_A      F     9_A    28.701     0    0.410   0.314    30.604    0.000    0.000
LGA    G    10_A      G    10_A    27.081     0    0.351   0.351    27.634    0.000    0.000
LGA    G    11_A      G    11_A    25.229     0    0.141   0.141    25.956    0.000    0.000
LGA    S    12_A      S    12_A    21.692     0    0.123   0.628    22.681    0.000    0.000
LGA    S    13_A      S    13_A    19.059     0    0.674   0.949    20.136    0.000    0.000
LGA    K    14_A      K    14_A    13.098     0    0.549   0.843    15.612    0.000    4.286
LGA    E    15_A      E    15_A    14.322     0    0.467   0.974    18.028    0.000    0.000
LGA    K    16_A      K    16_A    12.925     0    0.594   0.883    22.743    0.000    0.000
LGA    P    17_A      P    17_A    11.467     0    0.333   0.648    11.507    0.000    0.000
LGA    N    18_A      N    18_A    12.896     0    0.307   0.906    19.267    0.000    0.000
LGA    Y    19_A      Y    19_A     7.268     0    0.646   1.461     9.421    3.571   36.984
LGA    D    20_A      D    20_A    12.894     0    0.585   0.919    18.851    0.000    0.000
LGA    Y    21_A      Y    21_A    14.440     0    0.256   1.222    16.328    0.000    0.000
LGA    S    22_A      S    22_A    14.167     0    0.059   0.102    16.571    0.000    0.000
LGA    A    23_A      A    23_A    16.864     0    0.051   0.055    20.134    0.000    0.000
LGA    D    24_A      D    24_A    19.934     0    0.029   0.946    23.225    0.000    0.000
LGA    K    25_A      K    25_A    21.120     0    0.071   0.924    24.133    0.000    0.000
LGA    K    26_A      K    26_A    21.504     0    0.059   1.185    25.409    0.000    0.000
LGA    L    27_A      L    27_A    26.245     0    0.050   1.336    30.105    0.000    0.000
LGA    I    28_A      I    28_A    29.390     0    0.078   0.221    32.503    0.000    0.000
LGA    E    29_A      E    29_A    29.307     0    0.068   0.967    32.467    0.000    0.000
LGA    I    30_A      I    30_A    31.668     0    0.188   1.314    35.398    0.000    0.000
LGA    N    31_A      N    31_A    35.927     0    0.618   0.969    39.041    0.000    0.000
LGA    T    32_A      T    32_A    39.958     0    0.126   0.141    42.451    0.000    0.000
LGA    R    33_A      R    33_A    39.666     0    0.647   1.083    40.636    0.000    0.000
LGA    P    34_A      P    34_A    42.945     0    0.614   0.927    44.368    0.000    0.000
LGA    I    35_A      I    35_A    42.812     0    0.078   0.118    43.044    0.000    0.000
LGA    S    36_A      S    36_A    44.379     0    0.108   0.673    47.895    0.000    0.000
LGA    T    37_A      T    37_A    42.968     0    0.261   0.353    46.584    0.000    0.000
LGA    D    38_A      D    38_A    46.863     0    0.087   1.146    47.563    0.000    0.000
LGA    N    39_A      N    39_A    42.374     0    0.092   1.148    43.517    0.000    0.000
LGA    A    40_A      A    40_A    42.766     0    0.034   0.048    45.668    0.000    0.000
LGA    K    41_A      K    41_A    49.335     0    0.052   0.157    53.304    0.000    0.000
LGA    Y    42_A      Y    42_A    49.063     0    0.094   1.665    51.531    0.000    0.000
LGA    W    43_A      W    43_A    45.048     0    0.048   1.349    47.036    0.000    0.000
LGA    C    44_A      C    44_A    49.121     0    0.068   0.792    52.062    0.000    0.000
LGA    F    45_A      F    45_A    53.906     0    0.042   1.406    56.418    0.000    0.000
LGA    D    46_A      D    46_A    53.731     0    0.049   0.703    57.023    0.000    0.000
LGA    K    47_A      K    47_A    53.778     0    0.089   1.023    60.930    0.000    0.000
LGA    G    48_A      G    48_A    50.811     0    0.064   0.064    51.743    0.000    0.000
LGA    N    49_A      N    49_A    44.049     0    0.231   1.253    46.515    0.000    0.000
LGA    D    50_A      D    50_A    40.685     0    0.127   0.227    42.183    0.000    0.000
LGA    L    51_A      L    51_A    37.831     0    0.048   1.411    39.336    0.000    0.000
LGA    G    52_A      G    52_A    38.926     0    0.050   0.050    38.982    0.000    0.000
LGA    C    53_A      C    53_A    38.270     0    0.020   0.087    41.192    0.000    0.000
LGA    L    54_A      L    54_A    34.369     0    0.055   1.413    35.982    0.000    0.000
LGA    S    55_A      S    55_A    33.010     0    0.027   0.650    33.732    0.000    0.000
LGA    L    56_A      L    56_A    35.290     0    0.045   1.388    40.662    0.000    0.000
LGA    E    57_A      E    57_A    33.655     0    0.032   0.848    35.937    0.000    0.000
LGA    K    58_A      K    58_A    29.878     0    0.044   1.297    31.511    0.000    0.000
LGA    L    59_A      L    59_A    30.899     0    0.037   1.407    31.852    0.000    0.000
LGA    E    60_A      E    60_A    33.644     0    0.037   0.121    38.740    0.000    0.000
LGA    A    61_A      A    61_A    31.018     0    0.040   0.045    31.757    0.000    0.000
LGA    L    62_A      L    62_A    28.961     0    0.027   0.041    29.991    0.000    0.000
LGA    E    63_A      E    63_A    32.323     0    0.071   0.257    36.043    0.000    0.000
LGA    S    64_A      S    64_A    34.112     0    0.133   0.743    34.498    0.000    0.000
LGA    K    65_A      K    65_A    31.776     0    0.326   0.739    36.741    0.000    0.000
LGA    D    66_A      D    66_A    27.641     0    0.597   1.424    28.878    0.000    0.000
LGA    L    67_A      L    67_A    28.235     0    0.064   1.381    30.064    0.000    0.000
LGA    K    68_A      K    68_A    27.165     0    0.089   0.694    33.296    0.000    0.000
LGA    K    69_A      K    69_A    21.636     0    0.105   0.134    23.821    0.000    0.000
LGA    V    70_A      V    70_A    20.691     0    0.000   0.047    21.690    0.000    0.000
LGA    V    71_A      V    71_A    23.771     0    0.055   1.155    26.522    0.000    0.000
LGA    K    72_A      K    72_A    20.835     0    0.057   1.132    21.978    0.000    0.000
LGA    F    73_A      F    73_A    16.192     0    0.068   0.155    17.979    0.000    0.000
LGA    Y    74_A      Y    74_A    18.573     0    0.089   1.204    23.449    0.000    0.000
LGA    E    75_A      E    75_A    21.986     0    0.173   0.759    28.472    0.000    0.000
LGA    K    76_A      K    76_A    18.314     0    0.070   0.872    19.371    0.000    0.000
LGA    T    77_A      T    77_A    15.516     0    0.027   0.060    16.574    0.000    0.000
LGA    I    78_A      I    78_A    18.346     0    0.096   0.164    20.701    0.000    0.000
LGA    P    79_A      P    79_A    20.026     0    0.070   0.541    21.412    0.000    0.000
LGA    E    80_A      E    80_A    17.124     0    0.042   1.292    19.137    0.000    0.000
LGA    Y    81_A      Y    81_A    16.633     0    0.046   0.825    18.211    0.000    0.000
LGA    C    82_A      C    82_A    20.410     0    0.051   0.802    21.605    0.000    0.000
LGA    Y    83_A      Y    83_A    21.766     0    0.540   1.397    32.866    0.000    0.000
LGA    D    84_A      D    84_A    20.230     0    0.533   1.498    24.067    0.000    0.000
LGA    K    85_A      K    85_A    15.839     0    0.596   0.795    18.126    0.000    0.000
LGA    K    86_A      K    86_A    15.993     0    0.175   0.629    17.201    0.000    0.000
LGA    F    87_A      F    87_A    13.968     0    0.147   1.224    16.957    0.000    0.000
LGA    A    88_A      A    88_A    18.175     0    0.607   0.617    19.445    0.000    0.000
LGA    P    89_A      P    89_A    16.854     0    0.618   0.986    17.109    0.000    0.000
LGA    A    90_A      A    90_A    13.480     0    0.103   0.099    15.706    0.000    0.000
LGA    C    91_A      C    91_A    19.875     0    0.476   0.474    22.608    0.000    0.000
LGA    N    92_A      N    92_A    24.953     0    0.140   1.275    27.519    0.000    0.000
LGA    I    93_A      I    93_A    24.847     0    0.550   0.719    26.662    0.000    0.000
LGA    P    94_A      P    94_A    29.336     0    0.627   1.041    33.168    0.000    0.000
LGA    A    95_A      A    95_A    32.955     0    0.100   0.096    36.354    0.000    0.000
LGA    I    96_A      I    96_A    35.025     0    0.118   0.169    38.514    0.000    0.000
LGA    D    97_A      D    97_A    36.025     0    0.060   1.025    39.353    0.000    0.000
LGA    L    98_A      L    98_A    38.834     0    0.188   0.191    43.295    0.000    0.000
LGA    I    99_A      I    99_A    43.158     0    0.131   0.227    46.340    0.000    0.000
LGA    Q   100_A      Q   100_A    44.515     0    0.035   1.353    47.257    0.000    0.000
LGA    Q   101_A      Q   101_A    43.962     0    0.091   1.016    47.205    0.000    0.000
LGA    K   102_A      K   102_A    47.739     0    0.101   0.625    51.610    0.000    0.000
LGA    L   103_A      L   103_A    52.551     0    0.011   1.090    55.441    0.000    0.000
LGA    S   104_A      S   104_A    52.574     0    0.000   0.034    55.177    0.000    0.000
LGA    Y   105_A      Y   105_A    52.844     0    0.002   1.324    56.656    0.000    0.000
LGA    Y   106_A      Y   106_A    58.045     0    0.035   0.770    61.797    0.000    0.000
LGA    V   107_A      V   107_A    60.849     0    0.070   0.073    63.499    0.000    0.000
LGA    R   108_A      R   108_A    59.730     0    0.043   0.923    62.443    0.000    0.000
LGA    N   109_A      N   109_A    61.874     0    0.241   1.006    66.229    0.000    0.000
LGA    D   110_A      D   110_A    68.640     0    0.436   1.234    72.296    0.000    0.000
LGA    I   111_A      I   111_A    70.665     0    0.108   0.140    71.280    0.000    0.000
LGA    D   112_A      D   112_A    74.767     0    0.386   0.391    77.358    0.000    0.000
LGA    N   113_A      N   113_A    72.585     0    0.460   0.510    76.900    0.000    0.000
LGA    K   114_A      K   114_A    66.291     0    0.060   0.792    70.048    0.000    0.000
LGA    T   115_A      T   115_A    61.842     0    0.139   0.201    63.868    0.000    0.000
LGA    I   116_A      I   116_A    58.691     0    0.660   0.619    59.582    0.000    0.000
LGA    K   117_A      K   117_A    58.723     0    0.086   1.054    66.153    0.000    0.000
LGA    T   118_A      T   118_A    57.477     0    0.160   1.096    59.524    0.000    0.000
LGA    F   119_A      F   119_A    53.789     0    0.071   1.246    55.483    0.000    0.000
LGA    Y   120_A      Y   120_A    51.014     0    0.029   1.387    52.512    0.000    0.000
LGA    S   121_A      S   121_A    52.042     0    0.023   0.519    55.433    0.000    0.000
LGA    D   122_A      D   122_A    50.230     0    0.048   1.184    55.073    0.000    0.000
LGA    Y   123_A      Y   123_A    45.944     0    0.026   0.378    47.790    0.000    0.000
LGA    A   124_A      A   124_A    45.198     0    0.038   0.040    46.655    0.000    0.000
LGA    K   125_A      K   125_A    46.027     0    0.036   0.800    51.065    0.000    0.000
LGA    A   126_A      A   126_A    42.660     0    0.042   0.042    44.066    0.000    0.000
LGA    L   127_A      L   127_A    39.216     0    0.017   1.364    40.767    0.000    0.000
LGA    S   128_A      S   128_A    40.186     0    0.055   0.089    43.216    0.000    0.000
LGA    E   129_A      E   129_A    39.317     0    0.142   1.041    44.132    0.000    0.000
LGA    S   130_A      S   130_A    35.661     0    0.557   0.818    37.119    0.000    0.000
LGA    K   131_A      K   131_A    35.674     0    0.076   0.933    45.381    0.000    0.000
LGA    A   132_A      A   132_A    30.421     0    0.019   0.025    32.701    0.000    0.000
LGA    D   133_A      D   133_A    25.534     0    0.047   1.093    27.753    0.000    0.000
LGA    V   134_A      V   134_A    27.216     0    0.041   0.063    31.103    0.000    0.000
LGA    K   135_A      K   135_A    26.881     0    0.043   0.705    34.079    0.000    0.000
LGA    M   136_A      M   136_A    20.178     0    0.032   0.797    22.845    0.000    0.000
LGA    L   137_A      L   137_A    17.710     0    0.021   1.187    20.625    0.000    0.000
LGA    E   138_A      E   138_A    20.469     0    0.035   1.026    28.985    0.000    0.000
LGA    Y   139_A      Y   139_A    19.013     0    0.054   1.195    26.158    0.000    0.000
LGA    G   140_A      G   140_A    11.993     0    0.068   0.068    14.574    0.119    0.119
LGA    C   141_A      C   141_A    11.429     0    0.086   0.796    13.532    0.000    0.000
LGA    N   142_A      N   142_A    16.564     0    0.085   1.029    21.393    0.000    0.000
LGA    E   143_A      E   143_A    17.260     0    0.025   1.175    22.328    0.000    0.000
LGA    L   144_A      L   144_A    11.078     0    0.146   0.225    12.755    0.000    1.786
LGA    K   145_A      K   145_A     9.477     0    0.398   0.817    13.150    0.833    0.370
LGA    S   146_A      S   146_A     9.702     0    0.625   0.846    10.257    0.714    0.952
LGA    A   147_A      A   147_A     9.920     0    0.589   0.587    11.635    6.548    5.238
LGA    Y   148_A      Y   148_A     7.360     0    0.474   0.363    15.356   13.333    4.683
LGA    I   149_A      I   149_A     3.091     0    0.157   1.073     4.344   54.286   55.476
LGA    C   150_A      C   150_A     2.707     0    0.267   0.767     4.126   61.190   54.206
LGA    R   151_A      R   151_A     1.700     0    0.096   1.076     5.858   70.833   58.268
LGA    D   152_A      D   152_A     2.746     0    0.048   0.274     5.322   62.857   50.179
LGA    L   153_A      L   153_A     2.549     0    0.058   1.381     5.222   60.952   60.298
LGA    R   154_A      R   154_A     1.861     0    0.089   1.666    11.598   77.143   39.524
LGA    D   155_A      D   155_A     1.362     0    0.000   0.155     2.633   79.286   71.131
LGA    M   156_A      M   156_A     1.891     0    0.056   0.729     5.619   77.143   57.083
LGA    Y   157_A      Y   157_A     1.412     0    0.077   1.440     5.242   79.286   65.476
LGA    K   158_A      K   158_A     2.050     0    0.017   0.217     5.508   68.810   54.021
LGA    Y   159_A      Y   159_A     1.456     0    0.170   1.376     9.068   79.286   48.730
LGA    L   160_A      L   160_A     1.509     0    0.160   0.200     3.345   70.952   65.060
LGA    G   161_A      G   161_A     3.800     0    0.617   0.617     3.800   57.500   57.500
LGA    D   162_A      D   162_A     3.402     0    0.585   0.914     8.538   48.571   29.464
LGA    K   163_A      K   163_A     3.225     0    0.605   1.068    12.873   50.357   27.513
LGA    E   164_A      E   164_A     3.609     0    0.599   0.470    12.298   61.429   30.476
LGA    K   165_A      K   165_A     2.648     0    0.191   0.984     2.783   59.048   62.328
LGA    T   166_A      T   166_A     2.996     0    0.029   0.044     3.629   57.143   52.177
LGA    K   167_A      K   167_A     2.842     0    0.062   1.273     5.951   57.143   44.656
LGA    E   168_A      E   168_A     2.317     0    0.067   0.126     3.805   68.810   59.206
LGA    Y   169_A      Y   169_A     2.061     0    0.057   0.309     2.509   64.881   69.683
LGA    N   170_A      N   170_A     2.694     0    0.012   1.143     3.885   59.048   60.357
LGA    D   171_A      D   171_A     2.056     0    0.029   0.155     2.217   64.762   67.798
LGA    K   172_A      K   172_A     2.151     0    0.072   0.121     2.745   62.857   70.317
LGA    M   173_A      M   173_A     2.852     0    0.075   0.683     6.396   55.357   45.357
LGA    K   174_A      K   174_A     2.005     0    0.149   0.236     2.508   64.762   66.614
LGA    N   175_A      N   175_A     2.973     0    0.340   1.147     4.357   48.690   52.143
LGA    G   176_A      G   176_A     3.819     0    0.428   0.428     4.750   40.476   40.476
LGA    D   177_A      D   177_A     6.601     0    0.631   0.883    10.856   13.333    7.976
LGA    E   178_A      E   178_A     8.712     0    0.553   1.172    10.312    3.452    2.063
LGA    K   179_A      K   179_A    11.415     0    0.190   0.601    16.061    0.000    0.000
LGA    W   180_A      W   180_A    11.789     0    0.175   0.405    13.374    0.000    1.224
LGA    N   181_A      N   181_A    13.837     0    0.221   0.830    18.246    0.000    0.000
LGA    S   182_A      S   182_A    12.973     0    0.366   0.697    14.187    0.000    0.000
LGA    V   183_A      V   183_A    16.895     0    0.643   0.963    20.768    0.000    0.000
LGA    L   184_A      L   184_A    15.912     0    0.117   0.133    17.223    0.000    0.000
LGA    Y   185_A      Y   185_A    17.794     0    0.687   1.433    19.712    0.000    0.000
LGA    D   186_A      D   186_A    20.436     0    0.468   1.239    22.029    0.000    0.000
LGA    Y   187_A      Y   187_A    21.234     0    0.037   1.168    22.458    0.000    0.000
LGA    K   188_A      K   188_A    22.948     0    0.148   0.186    29.230    0.000    0.000
LGA    H   189_A      H   189_A    19.417     0    0.670   1.224    21.049    0.000    0.000
LGA    M   190_A      M   190_A    18.664     0    0.177   0.910    20.923    0.000    0.000
LGA    R   191_A      R   191_A    14.413     0    0.273   1.503    19.398    0.000    0.000
LGA    Y   192_A      Y   192_A    13.913     0    0.643   1.469    17.980    0.000    0.000
LGA    I   193_A      I   193_A    13.801     0    0.594   0.758    16.926    0.000    0.000
LGA    H   194_A      H   194_A    15.253     0    0.119   1.220    17.974    0.000    0.000
LGA    G   195_A      G   195_A    18.330     0    0.327   0.327    22.192    0.000    0.000
LGA    G   196_A      G   196_A    25.747     0    0.712   0.712    27.039    0.000    0.000
LGA    Y   197_A      Y   197_A    28.649     0    0.145   1.402    30.793    0.000    0.000
LGA    S   198_A      S   198_A    30.631     0    0.613   0.775    31.821    0.000    0.000
LGA    S   199_A      S   199_A    31.168     0    0.079   0.653    33.162    0.000    0.000
LGA    W   200_A      W   200_A    33.587     0    0.091   1.212    43.106    0.000    0.000
LGA    W   201_A      W   201_A    35.111     0    0.032   1.575    39.567    0.000    0.000
LGA    L   202_A      L   202_A    34.002     0    0.041   0.058    35.566    0.000    0.000
LGA    L   203_A      L   203_A    35.618     0    0.063   1.364    37.990    0.000    0.000
LGA    E   204_A      E   204_A    38.542     0    0.122   1.048    42.867    0.000    0.000
LGA    K   205_A      K   205_A    39.099     0    0.187   0.520    41.468    0.000    0.000
LGA    I   206_A      I   206_A    38.804     0    0.034   0.221    39.935    0.000    0.000
LGA    K   207_A      K   207_A    40.385     0    0.099   0.909    42.329    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):    21.894         21.921                 22.486            8.719    7.639

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     28    2.59    13.889    12.018     1.040

LGA_LOCAL      RMSD:   2.592  Number of atoms:   28  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  32.511  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  21.894  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.806277 * X  +   0.092107 * Y  +   0.584323 * Z  +  41.280869
  Y_new =   0.120906 * X  +   0.992610 * Y  +   0.010367 * Z  + -147.239441
  Z_new =  -0.579050 * X  +   0.079007 * Y  +  -0.811455 * Z  +  56.293686 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.992745  0.617563  3.044534   [DEG:  171.4717   35.3837  174.4390 ]
ZXZ:  1.588536  2.517434 -1.435192   [DEG:   91.0164  144.2383  -82.2304 ]
 
# END of job
