
#######################################################
#                                                     #
#                        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  214 ( 1657),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1517),  selected  207 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52      66_B - 117_B       4.93    20.94
  LONGEST_CONTINUOUS_SEGMENT:    52      67_B - 118_B       4.99    20.54
  LCS_AVERAGE:     19.42

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      81_B - 106_B       1.98    19.68
  LONGEST_CONTINUOUS_SEGMENT:    26     141_B - 166_B       1.87    28.80
  LCS_AVERAGE:      8.19

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22     180_B - 201_B       0.90    25.51
  LCS_AVERAGE:      5.94

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     P     4_B     P     4_B      3    3   28      3    3    3    3    3    4    9   12   14   18   24   24   30   34   38   47   47   52   57   61 
LCS_GDT     D     5_B     D     5_B      3   12   28      3    3    3    9   12   14   16   18   18   23   26   31   40   42   44   49   51   57   66   74 
LCS_GDT     F     6_B     F     6_B      4   12   28      3    4    6   11   13   16   17   19   23   27   30   35   40   43   48   52   61   71   77   82 
LCS_GDT     T     7_B     T     7_B      4   12   28      3    4    6   20   22   24   26   28   29   31   35   39   47   53   57   63   67   73   78   82 
LCS_GDT     G     8_B     G     8_B      9   12   28      8   10   17   19   22   24   26   31   34   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     A     9_B     A     9_B      9   12   28      8   10   15   19   22   24   26   28   34   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     R    10_B     R    10_B      9   12   28      8   10   10   11   12   18   26   31   34   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     E    11_B     E    11_B      9   12   28      8   10   10   11   20   21   25   31   34   38   44   48   52   56   59   63   67   71   78   82 
LCS_GDT     R    12_B     R    12_B      9   12   28      8   10   13   18   20   21   25   29   34   38   44   48   52   56   59   63   66   71   78   82 
LCS_GDT     F    13_B     F    13_B      9   12   28      8   10   10   19   22   24   26   31   34   38   44   48   52   56   59   63   67   72   78   82 
LCS_GDT     L    14_B     L    14_B      9   12   28      8   10   10   11   14   18   23   29   34   38   44   48   52   56   59   63   66   71   75   81 
LCS_GDT     A    15_B     A    15_B      9   12   28      8   10   11   15   18   20   23   29   34   38   41   47   52   56   59   62   66   69   74   77 
LCS_GDT     G    16_B     G    16_B      9   12   28      7   10   10   15   18   21   24   28   34   38   41   47   52   56   59   62   66   69   73   77 
LCS_GDT     D    17_B     D    17_B      3   10   28      3    3    6   17   22   24   26   29   34   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     V    18_B     V    18_B      3    5   28      3    3    4    8   12   18   22   31   34   38   44   48   52   56   59   63   67   72   78   82 
LCS_GDT     T    19_B     T    19_B      3    5   28      3    3    4    5   11   17   23   31   34   38   41   47   49   54   59   62   65   71   78   82 
LCS_GDT     I    20_B     I    20_B      3    5   28      3    3    4    7    9   12   16   19   28   32   36   42   47   54   58   63   67   73   78   82 
LCS_GDT     V    21_B     V    21_B      3    5   28      3    3    4   11   13   16   23   26   34   37   39   45   48   53   57   60   64   71   78   82 
LCS_GDT     L    22_B     L    22_B      3    3   28      3    3    4   11   13   16   16   18   21   27   28   30   39   46   47   55   56   61   67   79 
LCS_GDT     L    23_B     L    23_B      3    5   28      3    5    7   11   13   16   16   18   21   24   25   28   30   33   37   38   46   48   61   70 
LCS_GDT     I    24_B     I    24_B      4    5   28      0   10   10   11   11   12   13   17   21   24   25   28   30   34   40   48   54   59   64   70 
LCS_GDT     A    25_B     A    25_B      4    5   28      3    4    4    5   10   12   12   14   15   21   24   28   30   33   37   38   40   43   48   56 
LCS_GDT     E    26_B     E    26_B      4    5   28      3    4    6    7   10   11   16   18   21   24   25   28   30   33   37   38   40   43   47   53 
LCS_GDT     S    27_B     S    27_B      4    5   28      3    5    6   11   13   16   16   18   21   24   25   28   30   33   37   38   40   42   43   48 
LCS_GDT     H    28_B     H    28_B      3    6   28      3    3    6    7   13   16   16   18   21   24   25   28   30   33   37   38   40   42   43   48 
LCS_GDT     D    29_B     D    29_B      4    6   28      3    4    4    5    8    9   12   17   21   24   25   28   30   33   37   38   40   42   43   46 
LCS_GDT     A    30_B     A    30_B      4    6   28      3    4    4    5    8    9   12   17   21   24   25   28   30   33   37   38   40   43   47   53 
LCS_GDT     P    31_B     P    31_B      4    6   28      3    4    4    5    8    9   12   17   21   24   25   28   30   33   37   38   42   48   52   56 
LCS_GDT     Y    32_B     Y    32_B      4    6   29      3    4    4    5    8    9   12   17   22   27   29   32   40   46   49   52   55   61   63   68 
LCS_GDT     R    33_B     R    33_B      4    6   47      3    3    4    5    9   12   17   20   24   33   39   42   45   47   50   53   56   61   63   68 
LCS_GDT     L    34_B     L    34_B      4    6   47      3    3    6    8   10   12   13   16   20   20   38   42   45   47   50   53   56   61   63   68 
LCS_GDT     A    35_B     A    35_B      3    6   47      3    6    7    9   10   12   13   15   20   28   39   42   45   47   50   53   56   61   63   68 
LCS_GDT     N    36_B     N    36_B      3    5   47      3    3    3    8   11   12   24   31   36   38   39   42   45   47   49   53   56   61   63   68 
LCS_GDT     P    37_B     P    37_B      3    5   47      3    3    6   12   15   22   28   33   36   38   39   41   44   47   49   53   56   61   63   68 
LCS_GDT     E    38_B     E    38_B      5    9   47      3    3    6    8   11   13   23   28   34   38   39   40   43   45   47   51   54   59   63   66 
LCS_GDT     D    39_B     D    39_B      7    9   47      6    6    7    9   11   14   21   27   31   35   38   40   43   45   46   49   52   56   58   61 
LCS_GDT     P    40_B     P    40_B      7    9   47      6    6    7    9   11   12   13   15   26   33   38   40   43   45   46   51   54   59   62   66 
LCS_GDT     E    41_B     E    41_B      7    9   47      6    6    7    9   11   12   13   15   17   19   26   35   39   40   43   47   49   51   56   61 
LCS_GDT     A    42_B     A    42_B      7    9   47      6    6    7    9   11   12   13   15   17   23   26   36   39   41   46   47   50   53   58   61 
LCS_GDT     D    43_B     D    43_B      7    9   47      6    6    7    9   11   12   13   16   34   38   39   41   45   46   49   53   55   59   62   66 
LCS_GDT     L    44_B     L    44_B      7    9   47      6    6    7   12   15   22   29   33   36   38   39   42   45   47   49   53   56   61   63   68 
LCS_GDT     S    45_B     S    45_B      7    9   47      3    5    7    9   11   17   23   27   34   38   39   40   45   46   49   53   55   59   62   66 
LCS_GDT     D    46_B     D    46_B      3   18   47      3    3    6    9   11   13   18   20   24   30   36   39   43   46   48   51   54   59   61   66 
LCS_GDT     E    47_B     E    47_B     17   19   47      9   15   17   17   19   22   29   33   36   38   39   42   45   47   50   53   56   61   63   68 
LCS_GDT     Q    48_B     Q    48_B     17   19   47      9   15   17   17   21   26   29   33   36   38   39   42   45   47   50   55   56   61   63   68 
LCS_GDT     L    49_B     L    49_B     17   19   47      9   15   17   17   20   25   29   33   36   38   39   42   45   48   52   55   58   61   65   70 
LCS_GDT     E    50_B     E    50_B     17   19   47      8   15   17   17   19   22   29   33   36   38   39   42   45   47   50   53   56   61   64   70 
LCS_GDT     R    51_B     R    51_B     17   19   47      9   15   17   17   19   25   29   33   36   38   39   42   45   47   50   55   56   61   63   70 
LCS_GDT     A    52_B     A    52_B     17   19   47      9   15   17   17   21   26   29   33   36   38   39   45   48   51   54   57   62   65   68   73 
LCS_GDT     L    53_B     L    53_B     17   19   47      9   15   17   17   21   26   29   33   36   38   39   45   48   52   57   60   64   68   76   82 
LCS_GDT     A    54_B     A    54_B     17   19   47      9   15   17   17   21   26   29   33   36   38   39   42   46   51   54   60   63   68   76   82 
LCS_GDT     A    55_B     A    55_B     17   19   47      9   15   17   17   21   26   29   33   36   38   39   45   48   51   56   60   65   71   78   82 
LCS_GDT     Y    56_B     Y    56_B     17   19   47      9   15   17   17   21   26   29   33   36   38   43   48   51   56   59   63   67   73   78   82 
LCS_GDT     L    57_B     L    57_B     17   19   47      9   15   17   18   21   26   29   33   36   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     T    58_B     T    58_B     17   19   47      8   15   17   17   21   26   29   33   36   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     L    59_B     L    59_B     17   20   47      8   15   17   17   21   26   29   33   36   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     V    60_B     V    60_B     17   20   47      8   15   17   17   21   25   29   33   36   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     E    61_B     E    61_B     17   20   47      8   15   17   17   21   26   29   33   36   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     T    62_B     T    62_B     17   20   47      8   12   17   17   21   26   29   33   36   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     L    63_B     L    63_B     17   20   47      7   12   17   17   20   25   29   33   36   38   41   47   49   53   59   62   65   69   73   77 
LCS_GDT     F    64_B     F    64_B     16   20   47      3    4   15   15   16   17   18   30   36   38   39   42   46   49   53   58   62   65   68   71 
LCS_GDT     P    65_B     P    65_B     16   20   51     12   14   15   17   21   26   29   33   36   38   41   47   49   53   59   62   65   68   73   77 
LCS_GDT     E    66_B     E    66_B     16   20   52     10   14   15   17   21   26   29   33   36   38   43   47   51   56   59   62   66   69   74   78 
LCS_GDT     L    67_B     L    67_B     16   20   52     11   14   15   17   21   26   29   33   36   38   43   47   51   56   59   63   66   69   75   81 
LCS_GDT     Y    68_B     Y    68_B     16   20   52     12   14   15   17   21   26   29   33   36   38   43   48   52   56   59   63   67   73   78   82 
LCS_GDT     A    69_B     A    69_B     16   20   52     12   14   15   17   21   26   29   33   36   38   43   48   52   56   59   63   66   72   78   82 
LCS_GDT     E    70_B     E    70_B     16   20   52     12   14   15   17   21   26   29   33   36   38   43   48   52   56   59   63   67   73   78   82 
LCS_GDT     M    71_B     M    71_B     16   20   52     12   14   15   17   21   26   29   33   38   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     K    72_B     K    72_B     16   20   52     12   14   15   17   21   26   29   35   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     A    73_B     A    73_B     16   20   52     12   14   15   17   21   26   29   35   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     A    74_B     A    74_B     16   20   52     12   14   15   17   22   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     L    75_B     L    75_B     16   20   52     12   14   15   17   22   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     A    76_B     A    76_B     16   20   52     12   14   15   17   22   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     A    77_B     A    77_B     16   20   52     12   14   15   17   21   26   29   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     A    78_B     A    78_B     16   20   52     12   14   15   17   21   26   29   33   38   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     K    79_B     K    79_B     16   20   52      3    4    6   16   21   26   29   31   36   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     T    80_B     T    80_B      4   25   52      3    4    9   12   18   24   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     P    81_B     P    81_B     20   26   52     12   17   20   21   23   26   31   36   39   40   41   46   52   56   59   63   67   73   78   82 
LCS_GDT     E    82_B     E    82_B     20   26   52     12   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     E    83_B     E    83_B     20   26   52     12   17   20   21   23   24   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     K    84_B     K    84_B     20   26   52     12   17   20   21   23   26   30   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     I    85_B     I    85_B     20   26   52      9   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     A    86_B     A    86_B     20   26   52     12   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     V    87_B     V    87_B     20   26   52     12   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     F    88_B     F    88_B     20   26   52     12   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     R    89_B     R    89_B     20   26   52     12   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     E    90_B     E    90_B     20   26   52      9   16   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     Y    91_B     Y    91_B     20   26   52      8   16   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     N    92_B     N    92_B     20   26   52     12   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     A    93_B     A    93_B     20   26   52     12   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     R    94_B     R    94_B     20   26   52     12   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     F    95_B     F    95_B     20   26   52     12   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     L    96_B     L    96_B     20   26   52     12   17   20   21   23   24   29   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     A    97_B     A    97_B     20   26   52      6   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     E    98_B     E    98_B     20   26   52      6   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     F    99_B     F    99_B     20   26   52      6   17   20   21   23   26   31   36   39   40   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     D   100_B     D   100_B     20   26   52      4   13   20   21   23   26   31   36   39   40   43   47   52   54   58   63   67   73   78   82 
LCS_GDT     A   101_B     A   101_B     16   26   52      8   12   17   21   23   26   31   36   39   40   41   44   48   54   58   63   67   73   78   82 
LCS_GDT     L   102_B     L   102_B     16   26   52      8   12   17   20   23   26   31   36   39   40   41   42   48   54   58   63   67   73   78   82 
LCS_GDT     I   103_B     I   103_B     16   26   52      8   12   17   20   23   26   31   36   39   40   41   42   48   54   58   63   67   73   78   82 
LCS_GDT     D   104_B     D   104_B     16   26   52      8   12   17   19   23   26   31   36   39   40   41   42   46   53   58   63   67   73   78   82 
LCS_GDT     Q   105_B     Q   105_B     16   26   52      8   12   17   19   23   26   31   36   39   40   41   42   46   53   57   63   67   73   78   82 
LCS_GDT     A   106_B     A   106_B     16   26   52      6   12   17   19   23   26   31   36   39   40   41   42   46   53   57   62   67   73   78   82 
LCS_GDT     F   107_B     F   107_B     16   25   52      5   11   17   19   23   26   31   36   39   40   41   42   46   53   57   62   67   73   78   82 
LCS_GDT     A   108_B     A   108_B     16   25   52      8   12   17   19   23   26   30   36   39   40   41   42   46   53   57   62   67   73   78   82 
LCS_GDT     R   109_B     R   109_B     16   25   52      8   12   17   19   23   26   30   36   39   40   41   42   46   53   57   62   65   73   78   82 
LCS_GDT     L   110_B     L   110_B     16   25   52      8   12   17   19   23   26   31   36   39   40   41   42   45   53   57   62   65   73   78   82 
LCS_GDT     K   111_B     K   111_B     16   25   52      8   12   17   19   23   26   30   36   39   40   41   42   45   53   57   62   65   70   78   82 
LCS_GDT     A   112_B     A   112_B      4   22   52      3    4    4   10   19   26   31   36   39   40   41   42   46   53   57   63   67   73   78   82 
LCS_GDT     D   113_B     D   113_B      4    5   52      3    4    4    5    5    6    7   10   10   18   25   39   45   53   58   63   67   73   78   82 
LCS_GDT     S   114_B     S   114_B      3   10   52      3    3    4    6    8    9   11   13   18   22   22   32   45   48   55   62   67   73   78   82 
LCS_GDT     L   115_B     L   115_B      8   10   52      3    6    8   10   10   12   21   29   33   37   40   42   46   53   57   62   67   73   78   82 
LCS_GDT     T   116_B     T   116_B      8   10   52      4    7    8   10   10   12   18   25   29   33   37   41   46   53   58   63   67   73   78   82 
LCS_GDT     L   117_B     L   117_B      8   10   52      4    7    8   10   10   16   20   23   28   32   37   41   45   53   58   63   67   73   78   82 
LCS_GDT     K   118_B     K   118_B      8   10   52      4    7    8   10   14   18   23   27   33   36   42   46   51   56   59   63   67   73   78   82 
LCS_GDT     I   119_B     I   119_B      8   10   50      4    7    8   10   13   17   21   27   33   37   40   45   51   55   59   63   67   73   78   82 
LCS_GDT     H   120_B     H   120_B      8   10   46      3    7    8   10   10   10   12   24   32   37   41   46   49   54   59   62   67   73   78   82 
LCS_GDT     L   121_B     L   121_B      8   10   42      3    7    8   10   10   10   11   16   20   22   24   26   31   49   52   56   61   65   71   79 
LCS_GDT     S   122_B     S   122_B      8   10   40      3    7    8   10   10   10   12   15   20   22   24   27   29   33   41   50   56   60   65   70 
LCS_GDT     Q   123_B     Q   123_B      8   10   31      0    3    8   10   10   10   11   15   20   22   24   27   29   32   34   35   36   50   61   70 
LCS_GDT     G   124_B     G   124_B      3   10   31      0    3    5   10   10   10   11   15   19   22   24   27   29   32   34   36   42   54   58   62 
LCS_GDT     K   125_B     K   125_B      3   10   31      3    3    5    7   11   12   14   16   20   22   24   27   31   40   49   50   59   67   75   82 
LCS_GDT     G   126_B     G   126_B      6   11   31      4    5    7    9   11   12   20   23   26   30   36   41   48   53   58   63   67   73   78   82 
LCS_GDT     S   127_B     S   127_B      7   11   31      4    5    7    9   11   12   16   23   26   30   36   41   51   56   59   63   67   73   78   82 
LCS_GDT     Y   128_B     Y   128_B      7   11   31      4    5    7    9   11   12   16   27   28   30   34   41   51   56   59   63   67   73   78   82 
LCS_GDT     E   129_B     E   129_B      7   11   31      4    5    7    9   11   12   19   27   28   30   35   41   48   54   58   63   67   73   78   82 
LCS_GDT     I   130_B     I   130_B      7   11   31      3    5    7    9   11   12   18   27   29   33   35   41   46   53   57   63   67   73   78   82 
LCS_GDT     I   131_B     I   131_B      7   11   31      3    5    7    9   11   12   18   27   29   33   36   41   46   53   57   63   67   73   78   82 
LCS_GDT     F   132_B     F   132_B      7   11   31      3    5    7    9   11   12   14   16   21   30   33   39   43   49   56   62   65   73   78   82 
LCS_GDT     P   133_B     P   133_B      7   11   31      3    5    7    9   11   12   20   27   29   32   36   41   45   53   57   62   67   73   78   82 
LCS_GDT     P   134_B     P   134_B      4   11   31      4    5    6    9   11   12   14   16   21   24   27   31   35   40   44   50   58   64   68   72 
LCS_GDT     E   135_B     E   135_B      4   11   31      4    4    5    6    9   11   13   17   21   24   25   28   30   33   37   42   45   50   56   61 
LCS_GDT     V   136_B     V   136_B      4   11   31      4    5    6    9   11   12   14   17   21   24   25   28   30   33   37   39   43   49   54   61 
LCS_GDT     Q   137_B     Q   137_B      5    6   33      4    5    5    6    7   10   13   17   21   24   25   28   30   33   37   38   43   45   51   57 
LCS_GDT     A   138_B     A   138_B      5    6   34      4    5    6    8   11   12   14   16   20   24   25   28   30   33   37   38   40   43   47   54 
LCS_GDT     D   139_B     D   139_B      5    6   34      4    5    5    7    9   12   14   19   20   28   29   29   31   33   34   37   40   43   47   53 
LCS_GDT     P   140_B     P   140_B      5   18   34      4    5    5    8    9   12   19   23   27   28   29   30   32   33   37   38   40   43   47   53 
LCS_GDT     E   141_B     E   141_B     16   26   34      8   13   16   20   23   25   26   27   27   28   29   30   32   33   34   36   40   42   46   49 
LCS_GDT     R   142_B     R   142_B     16   26   34      8   13   16   20   23   25   26   27   27   28   29   30   32   33   34   37   40   42   46   53 
LCS_GDT     A   143_B     A   143_B     16   26   34      8   13   16   20   23   25   26   27   27   28   29   30   32   33   34   36   40   42   46   53 
LCS_GDT     A   144_B     A   144_B     16   26   34      8   13   16   20   23   25   26   27   27   28   29   30   32   33   37   38   40   42   46   53 
LCS_GDT     A   145_B     A   145_B     16   26   34      8   13   16   20   23   25   26   27   27   28   29   30   32   33   37   38   40   43   47   53 
LCS_GDT     I   146_B     I   146_B     16   26   34      8   13   16   20   23   25   26   27   27   28   29   30   32   33   37   38   40   43   47   53 
LCS_GDT     E   147_B     E   147_B     16   26   34      8   13   16   20   23   25   26   27   27   28   29   30   32   33   37   38   40   43   47   53 
LCS_GDT     A   148_B     A   148_B     16   26   34      8   13   16   20   23   25   26   27   27   28   29   30   32   33   37   38   40   43   47   53 
LCS_GDT     L   149_B     L   149_B     17   26   34      8   13   16   20   23   25   26   27   27   28   29   30   32   33   37   38   40   43   47   53 
LCS_GDT     W   150_B     W   150_B     17   26   34      5   13   16   20   23   25   26   27   27   28   29   30   32   33   37   38   40   43   47   53 
LCS_GDT     K   151_B     K   151_B     17   26   34      8   14   16   18   22   25   26   27   27   28   29   30   32   33   37   38   40   43   47   53 
LCS_GDT     P   152_B     P   152_B     17   26   34      4   13   16   18   22   25   26   27   27   28   29   30   32   33   37   38   39   43   47   53 
LCS_GDT     T   153_B     T   153_B     17   26   34      8   14   16   20   23   25   26   27   27   28   29   30   32   33   36   43   47   51   55   58 
LCS_GDT     L   154_B     L   154_B     17   26   34      8   14   16   20   23   25   26   27   27   28   29   30   32   38   40   45   49   52   55   59 
LCS_GDT     D   155_B     D   155_B     17   26   34      8   14   16   18   22   25   26   27   27   28   29   30   32   33   34   41   45   47   49   55 
LCS_GDT     Q   156_B     Q   156_B     17   26   34      8   14   16   20   23   25   26   27   27   28   29   30   32   33   34   45   51   53   57   61 
LCS_GDT     L   157_B     L   157_B     17   26   34      8   14   16   20   23   25   26   27   27   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     L   158_B     L   158_B     17   26   34      8   14   16   20   23   25   26   27   27   28   30   37   40   44   45   48   54   57   62   64 
LCS_GDT     A   159_B     A   159_B     17   26   34      8   14   16   20   23   25   26   27   27   28   29   30   38   43   45   48   54   57   62   64 
LCS_GDT     V   160_B     V   160_B     17   26   34      8   14   16   20   23   25   26   27   27   29   31   36   40   44   45   48   54   57   62   64 
LCS_GDT     L   161_B     L   161_B     17   26   34      8   14   16   20   23   25   26   27   27   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     Q   162_B     Q   162_B     17   26   34      8   14   16   20   23   25   26   27   27   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     E   163_B     E   163_B     17   26   34      8   14   16   20   23   25   26   27   27   28   29   36   37   44   45   47   54   56   61   64 
LCS_GDT     K   164_B     K   164_B     17   26   34      8   14   16   19   23   25   26   27   27   28   29   30   32   33   41   44   51   55   59   61 
LCS_GDT     H   165_B     H   165_B     17   26   34      8   14   16   19   23   25   26   27   27   28   29   34   39   44   45   47   54   57   62   64 
LCS_GDT     K   166_B     K   166_B     17   26   34      3   12   15   18   23   25   26   27   27   29   31   36   40   44   45   48   54   57   62   64 
LCS_GDT     G   167_B     G   167_B      4   21   34      3    3    4    6    9   10   14   24   25   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     K   168_B     K   168_B      4    6   34      3    3    4    5    6   10   13   21   24   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     P   169_B     P   169_B      4    6   34      3    3    4    5    5    5    7    9   13   17   21   30   36   39   43   48   54   57   62   64 
LCS_GDT     A   170_B     A   170_B      6    9   34      3    6    7   11   11   12   13   14   16   17   19   22   29   31   36   43   51   56   62   64 
LCS_GDT     T   171_B     T   171_B      7    9   34      3    6    7    9    9   10   13   14   19   21   22   26   29   34   43   47   53   56   62   64 
LCS_GDT     T   172_B     T   172_B      7    9   34      3    6    7    9    9   10   12   16   19   21   25   28   36   40   45   48   54   57   62   64 
LCS_GDT     V   173_B     V   173_B      7    9   33      3    6    7    9    9   10   13   16   19   21   24   30   36   41   45   48   54   57   62   64 
LCS_GDT     T   174_B     T   174_B      7    9   33      3    6    7    9    9   10   13   14   17   21   24   30   38   43   45   48   54   57   62   64 
LCS_GDT     Y   175_B     Y   175_B      7    9   36      3    6    7    9    9   10   13   14   17   20   23   30   38   43   45   48   54   57   62   67 
LCS_GDT     E   176_B     E   176_B      7    9   36      3    4    7    9    9   10   13   14   18   24   29   37   40   44   45   48   54   57   62   64 
LCS_GDT     I   177_B     I   177_B      7    9   36      3    6    7    9    9   10   13   14   16   25   31   35   40   43   45   48   60   62   64   67 
LCS_GDT     S   178_B     S   178_B      5    9   36      3    4    6    8    9   11   18   21   24   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     A   179_B     A   179_B      3   23   36      3    3    4    5   11   17   21   25   26   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     E   180_B     E   180_B     22   23   36      5   18   21   21   22   22   23   25   26   28   30   32   40   44   45   48   54   56   62   64 
LCS_GDT     T   181_B     T   181_B     22   23   36     10   20   21   21   22   22   23   25   26   28   30   37   40   44   45   48   54   57   62   64 
LCS_GDT     L   182_B     L   182_B     22   23   36     14   20   21   21   22   22   23   25   26   28   30   37   40   44   45   48   60   62   64   67 
LCS_GDT     R   183_B     R   183_B     22   23   36     14   20   21   21   22   22   23   25   26   28   31   37   40   44   51   57   60   62   64   67 
LCS_GDT     A   184_B     A   184_B     22   23   36     14   20   21   21   22   22   23   25   26   29   31   37   40   44   45   57   60   62   64   64 
LCS_GDT     A   185_B     A   185_B     22   23   36     14   20   21   21   22   22   23   25   26   32   36   40   45   50   53   57   63   71   77   82 
LCS_GDT     V   186_B     V   186_B     22   23   36     12   20   21   21   22   22   23   25   32   35   40   43   52   54   55   60   67   71   78   82 
LCS_GDT     A   187_B     A   187_B     22   23   36     14   20   21   21   22   22   23   25   26   29   31   37   40   44   51   57   62   62   64   67 
LCS_GDT     A   188_B     A   188_B     22   23   36     14   20   21   21   22   22   23   25   26   29   35   40   45   50   52   57   62   71   78   82 
LCS_GDT     L   189_B     L   189_B     22   23   36     11   20   21   21   22   22   23   25   30   38   44   48   52   56   59   63   67   73   78   82 
LCS_GDT     A   190_B     A   190_B     22   23   36     14   20   21   21   22   22   23   25   26   29   31   37   40   44   47   54   62   63   69   79 
LCS_GDT     R   191_B     R   191_B     22   23   36     14   20   21   21   22   22   23   25   26   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     A   192_B     A   192_B     22   23   36     14   20   21   21   22   22   23   25   26   29   31   37   40   47   55   56   63   68   75   80 
LCS_GDT     A   193_B     A   193_B     22   23   36     14   20   21   21   22   22   23   25   26   29   31   37   40   44   45   48   54   62   67   72 
LCS_GDT     E   194_B     E   194_B     22   23   36     14   20   21   21   22   22   23   25   26   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     A   195_B     A   195_B     22   23   36     14   20   21   21   22   22   23   25   26   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     A   196_B     A   196_B     22   23   36     14   20   21   21   22   22   23   25   26   29   31   37   40   44   45   48   54   58   63   69 
LCS_GDT     L   197_B     L   197_B     22   23   36     14   20   21   21   22   22   23   25   26   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     R   198_B     R   198_B     22   23   36     14   20   21   21   22   22   23   25   26   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     R   199_B     R   199_B     22   23   36     12   20   21   21   22   22   23   25   26   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     K   200_B     K   200_B     22   23   36     12   20   21   21   22   22   23   25   26   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     V   201_B     V   201_B     22   23   36      1    4   11   17   22   22   23   25   26   29   31   37   40   44   45   48   54   57   62   64 
LCS_GDT     G   202_B     G   202_B      3   23   36      1    3    5    6    8   13   15   22   24   29   31   37   40   44   46   51   54   59   62   66 
LCS_GDT     S   203_B     S   203_B      3    5   36      0    3    4    4    8    9   11   17   21   31   36   39   43   47   49   53   56   61   63   68 
LCS_GDT     L   204_B     L   204_B      3    5   36      3    3    4    4    8   22   29   33   36   38   39   41   45   47   50   53   56   61   63   68 
LCS_GDT     E   205_B     E   205_B      3    5   36      3    3    4    6    8   10   13   17   21   25   35   39   43   47   50   55   56   61   63   69 
LCS_GDT     S   206_B     S   206_B      3    4   36      3    3    3    3    5    6   11   13   15   18   22   26   34   47   49   55   56   61   63   69 
LCS_GDT     S   207_B     S   207_B      3    4   36      3    3    3    5    7    9   13   15   20   26   33   39   43   47   49   53   56   61   63   69 
LCS_GDT     G   208_B     G   208_B      3    4   36      2    3    3    5    7    9   13   15   20   25   27   29   33   41   49   55   56   61   64   69 
LCS_GDT     L   209_B     L   209_B      3    4   36      2    3    3    4    5    5    9   12   18   21   25   29   30   32   35   38   44   52   61   64 
LCS_GDT     E   210_B     E   210_B      3    4   36      0    3    5    6    8   12   15   18   21   25   27   29   33   41   45   55   56   59   64   69 
LCS_AVERAGE  LCS_A:  11.18  (   5.94    8.19   19.42 )

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     14     20     21     21     23     26     31     36     39     40     44     48     52     56     59     63     67     73     78     82 
GDT PERCENT_AT   6.76   9.66  10.14  10.14  11.11  12.56  14.98  17.39  18.84  19.32  21.26  23.19  25.12  27.05  28.50  30.43  32.37  35.27  37.68  39.61
GDT RMS_LOCAL    0.32   0.48   0.55   0.55   1.43   1.88   2.35   2.56   2.79   2.88   3.95   4.14   4.42   4.65   4.83   5.36   5.84   6.31   6.50   6.78
GDT RMS_ALL_AT  25.61  25.61  25.63  25.63  18.86  21.89  22.82  23.17  23.12  23.23  19.06  19.13  19.10  19.00  19.12  18.88  18.85  19.00  18.91  18.96

# Checking swapping
#   possible swapping detected:  F     6_B      F     6_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  F    13_B      F    13_B
#   possible swapping detected:  D    29_B      D    29_B
#   possible swapping detected:  Y    56_B      Y    56_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  F    64_B      F    64_B
#   possible swapping detected:  E    70_B      E    70_B
#   possible swapping detected:  E    90_B      E    90_B
#   possible swapping detected:  Y    91_B      Y    91_B
#   possible swapping detected:  E    98_B      E    98_B
#   possible swapping detected:  F    99_B      F    99_B
#   possible swapping detected:  D   100_B      D   100_B
#   possible swapping detected:  D   104_B      D   104_B
#   possible swapping detected:  E   129_B      E   129_B
#   possible swapping detected:  Y   175_B      Y   175_B
#   possible swapping detected:  E   194_B      E   194_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     4_B      P     4_B    37.292     0    0.581   0.609    39.774    0.000    0.000
LGA    D     5_B      D     5_B    32.455     3    0.232   0.313    34.675    0.000    0.000
LGA    F     6_B      F     6_B    27.311     0    0.097   0.372    32.304    0.000    0.000
LGA    T     7_B      T     7_B    25.327     0    0.585   1.287    29.605    0.000    0.000
LGA    G     8_B      G     8_B    21.629     0    0.293   0.293    22.744    0.000    0.000
LGA    A     9_B      A     9_B    20.406     0    0.025   0.025    21.023    0.000    0.000
LGA    R    10_B      R    10_B    18.246     6    0.069   0.069    19.050    0.000    0.000
LGA    E    11_B      E    11_B    18.281     0    0.045   0.932    20.960    0.000    0.000
LGA    R    12_B      R    12_B    19.614     0    0.061   0.765    23.214    0.000    0.000
LGA    F    13_B      F    13_B    17.579     0    0.082   1.109    18.271    0.000    0.000
LGA    L    14_B      L    14_B    16.761     3    0.073   0.075    17.117    0.000    0.000
LGA    A    15_B      A    15_B    18.066     0    0.141   0.147    18.900    0.000    0.000
LGA    G    16_B      G    16_B    18.857     0    0.121   0.121    18.857    0.000    0.000
LGA    D    17_B      D    17_B    18.419     0    0.512   1.423    19.217    0.000    0.000
LGA    V    18_B      V    18_B    19.510     0    0.652   0.559    20.264    0.000    0.000
LGA    T    19_B      T    19_B    23.352     0    0.452   1.300    26.524    0.000    0.000
LGA    I    20_B      I    20_B    18.900     0    0.578   0.826    19.759    0.000    0.000
LGA    V    21_B      V    21_B    20.760     0    0.573   0.694    23.338    0.000    0.000
LGA    L    22_B      L    22_B    22.096     0    0.617   1.006    23.190    0.000    0.000
LGA    L    23_B      L    23_B    24.438     0    0.567   1.052    28.763    0.000    0.000
LGA    I    24_B      I    24_B    21.813     0    0.526   1.274    24.898    0.000    0.000
LGA    A    25_B      A    25_B    25.193     0    0.257   0.278    27.268    0.000    0.000
LGA    E    26_B      E    26_B    31.559     0    0.070   1.039    36.298    0.000    0.000
LGA    S    27_B      S    27_B    30.541     0    0.214   0.364    32.222    0.000    0.000
LGA    H    28_B      H    28_B    32.861     0    0.228   0.256    35.490    0.000    0.000
LGA    D    29_B      D    29_B    36.432     0    0.278   1.264    39.762    0.000    0.000
LGA    A    30_B      A    30_B    32.394     0    0.054   0.055    33.115    0.000    0.000
LGA    P    31_B      P    31_B    34.055     0    0.135   0.798    35.022    0.000    0.000
LGA    Y    32_B      Y    32_B    30.034     0    0.079   1.039    35.007    0.000    0.000
LGA    R    33_B      R    33_B    32.593     0    0.494   1.245    37.137    0.000    0.000
LGA    L    34_B      L    34_B    30.991     0    0.594   1.453    31.363    0.000    0.000
LGA    A    35_B      A    35_B    33.525     0    0.076   0.080    34.822    0.000    0.000
LGA    N    36_B      N    36_B    35.765     3    0.590   0.552    37.419    0.000    0.000
LGA    P    37_B      P    37_B    34.834     0    0.303   0.888    35.929    0.000    0.000
LGA    E    38_B      E    38_B    33.530     4    0.295   0.292    35.772    0.000    0.000
LGA    D    39_B      D    39_B    38.122     0    0.341   1.227    43.411    0.000    0.000
LGA    P    40_B      P    40_B    35.043     0    0.073   0.098    36.800    0.000    0.000
LGA    E    41_B      E    41_B    40.495     0    0.042   0.756    45.979    0.000    0.000
LGA    A    42_B      A    42_B    41.866     0    0.099   0.094    42.006    0.000    0.000
LGA    D    43_B      D    43_B    37.671     0    0.086   1.021    38.814    0.000    0.000
LGA    L    44_B      L    44_B    35.390     0    0.248   1.063    38.843    0.000    0.000
LGA    S    45_B      S    45_B    38.684     0    0.555   0.575    40.714    0.000    0.000
LGA    D    46_B      D    46_B    36.383     0    0.667   0.706    40.423    0.000    0.000
LGA    E    47_B      E    47_B    30.868     0    0.122   1.157    33.302    0.000    0.000
LGA    Q    48_B      Q    48_B    28.673     0    0.156   1.389    30.072    0.000    0.000
LGA    L    49_B      L    49_B    24.094     0    0.047   0.114    26.111    0.000    0.000
LGA    E    50_B      E    50_B    24.883     4    0.037   0.037    26.800    0.000    0.000
LGA    R    51_B      R    51_B    25.540     0    0.060   1.347    35.502    0.000    0.000
LGA    A    52_B      A    52_B    20.808     0    0.043   0.043    22.584    0.000    0.000
LGA    L    53_B      L    53_B    17.877     0    0.070   0.184    19.245    0.000    0.000
LGA    A    54_B      A    54_B    19.557     0    0.044   0.055    21.512    0.000    0.000
LGA    A    55_B      A    55_B    19.858     0    0.018   0.019    21.113    0.000    0.000
LGA    Y    56_B      Y    56_B    15.444     0    0.032   1.349    17.030    0.000    0.000
LGA    L    57_B      L    57_B    13.510     0    0.056   0.572    14.389    0.000    0.000
LGA    T    58_B      T    58_B    16.108     0    0.033   0.157    18.788    0.000    0.000
LGA    L    59_B      L    59_B    16.983     0    0.054   0.827    19.094    0.000    0.000
LGA    V    60_B      V    60_B    13.387     0    0.090   1.074    14.316    0.000    0.000
LGA    E    61_B      E    61_B    12.853     0    0.067   0.583    14.178    0.000    0.000
LGA    T    62_B      T    62_B    16.794     0    0.104   1.276    18.006    0.000    0.000
LGA    L    63_B      L    63_B    18.164     0    0.059   0.779    22.114    0.000    0.000
LGA    F    64_B      F    64_B    17.005     0    0.477   1.544    26.117    0.000    0.000
LGA    P    65_B      P    65_B    15.385     0    0.099   0.123    18.218    0.000    0.000
LGA    E    66_B      E    66_B    13.028     0    0.043   1.177    19.348    0.000    0.000
LGA    L    67_B      L    67_B    10.757     0    0.185   0.305    11.627    0.714    0.536
LGA    Y    68_B      Y    68_B    10.391     0    0.034   0.360    11.669    1.548    0.714
LGA    A    69_B      A    69_B     9.729     0    0.018   0.024    11.054    3.095    2.476
LGA    E    70_B      E    70_B     7.276     0    0.050   0.383     8.353   16.905   12.910
LGA    M    71_B      M    71_B     5.100     0    0.021   1.019     8.648   32.619   20.952
LGA    K    72_B      K    72_B     4.884     0    0.020   0.841     9.777   36.190   21.376
LGA    A    73_B      A    73_B     4.918     0    0.070   0.085     6.070   37.381   33.333
LGA    A    74_B      A    74_B     2.065     0    0.028   0.026     2.989   64.881   66.476
LGA    L    75_B      L    75_B     1.788     0    0.036   0.362     4.847   70.833   57.500
LGA    A    76_B      A    76_B     2.931     0    0.026   0.028     4.440   50.595   49.143
LGA    A    77_B      A    77_B     5.012     0    0.019   0.019     6.446   28.214   27.810
LGA    A    78_B      A    78_B     5.399     0    0.585   0.580     6.877   23.095   24.762
LGA    K    79_B      K    79_B     6.843     0    0.014   1.374    10.496   20.714    9.735
LGA    T    80_B      T    80_B     3.760     0    0.614   0.708     7.055   49.405   37.891
LGA    P    81_B      P    81_B     2.242     0    0.670   0.677     5.364   77.262   59.524
LGA    E    82_B      E    82_B     1.348     4    0.063   0.058     2.717   77.381   40.741
LGA    E    83_B      E    83_B     3.984     4    0.056   0.059     5.286   48.452   24.444
LGA    K    84_B      K    84_B     3.346     0    0.052   0.757    11.355   57.381   35.238
LGA    I    85_B      I    85_B     0.886     0    0.052   1.075     4.408   90.595   71.786
LGA    A    86_B      A    86_B     2.049     0    0.032   0.035     3.105   72.976   68.381
LGA    V    87_B      V    87_B     2.614     0    0.031   0.108     4.784   66.905   53.401
LGA    F    88_B      F    88_B     2.195     0    0.056   0.068     6.490   68.810   43.247
LGA    R    89_B      R    89_B     2.275     0    0.032   1.610    11.773   68.810   36.753
LGA    E    90_B      E    90_B     1.672     0    0.060   0.149     5.999   83.810   57.937
LGA    Y    91_B      Y    91_B     1.531     0    0.113   0.169     4.539   75.238   58.175
LGA    N    92_B      N    92_B     3.108     0    0.029   0.966     7.758   55.476   40.000
LGA    A    93_B      A    93_B     2.307     0    0.041   0.041     2.789   70.952   68.190
LGA    R    94_B      R    94_B     0.768     0    0.042   1.286     5.123   88.333   65.931
LGA    F    95_B      F    95_B     3.402     0    0.052   1.240     5.770   52.024   37.619
LGA    L    96_B      L    96_B     4.035     0    0.051   1.083     4.899   46.786   45.595
LGA    A    97_B      A    97_B     1.630     0    0.045   0.058     2.063   84.048   80.190
LGA    E    98_B      E    98_B     1.796     0    0.033   0.756     3.349   71.310   62.646
LGA    F    99_B      F    99_B     3.863     0    0.026   1.635    11.788   50.119   22.597
LGA    D   100_B      D   100_B     2.965     0    0.124   0.397     6.401   62.976   45.298
LGA    A   101_B      A   101_B     1.039     0    0.057   0.056     1.989   85.952   83.333
LGA    L   102_B      L   102_B     2.148     0    0.022   1.175     6.645   72.976   56.190
LGA    I   103_B      I   103_B     2.060     0    0.046   0.853     4.495   75.119   57.738
LGA    D   104_B      D   104_B     1.998     0    0.029   0.376     5.012   72.976   55.476
LGA    Q   105_B      Q   105_B     2.356     0    0.062   1.289     6.785   66.786   46.825
LGA    A   106_B      A   106_B     1.209     0    0.047   0.043     1.567   79.286   79.714
LGA    F   107_B      F   107_B     1.925     0    0.041   0.719     5.617   65.357   54.329
LGA    A   108_B      A   108_B     3.516     0    0.084   0.086     4.515   48.452   45.048
LGA    R   109_B      R   109_B     2.871     0    0.124   0.965     9.272   65.000   35.844
LGA    L   110_B      L   110_B     0.573     3    0.095   0.107     1.289   85.952   54.286
LGA    K   111_B      K   111_B     3.129     2    0.316   0.499     9.803   71.667   35.608
LGA    A   112_B      A   112_B     4.092     0    0.209   0.261     6.600   35.119   32.381
LGA    D   113_B      D   113_B    10.636     0    0.351   1.233    13.001    1.190    0.595
LGA    S   114_B      S   114_B    11.144     0    0.252   0.961    13.891    1.905    1.270
LGA    L   115_B      L   115_B     9.826     0    0.146   1.365    12.511    0.119    8.988
LGA    T   116_B      T   116_B    14.102     0    0.682   0.982    17.879    0.000    0.000
LGA    L   117_B      L   117_B    16.083     0    0.130   1.421    17.839    0.000    0.000
LGA    K   118_B      K   118_B    20.521     0    0.190   0.367    24.223    0.000    0.000
LGA    I   119_B      I   119_B    23.608     0    0.083   1.358    25.483    0.000    0.000
LGA    H   120_B      H   120_B    28.660     0    0.126   1.189    30.539    0.000    0.000
LGA    L   121_B      L   121_B    32.573     0    0.090   1.445    34.963    0.000    0.000
LGA    S   122_B      S   122_B    38.051     0    0.582   0.636    39.460    0.000    0.000
LGA    Q   123_B      Q   123_B    40.765     4    0.438   0.461    41.889    0.000    0.000
LGA    G   124_B      G   124_B    36.687     0    0.044   0.044    38.775    0.000    0.000
LGA    K   125_B      K   125_B    33.226     4    0.315   0.378    34.074    0.000    0.000
LGA    G   126_B      G   126_B    31.117     0    0.088   0.088    31.651    0.000    0.000
LGA    S   127_B      S   127_B    27.316     0    0.125   0.488    28.759    0.000    0.000
LGA    Y   128_B      Y   128_B    22.790     0    0.115   1.274    24.450    0.000    0.000
LGA    E   129_B      E   129_B    20.637     0    0.104   0.216    25.376    0.000    0.000
LGA    I   130_B      I   130_B    15.473     0    0.217   1.014    17.254    0.000    0.000
LGA    I   131_B      I   131_B    14.904     0    0.099   1.164    17.352    0.000    0.000
LGA    F   132_B      F   132_B    12.313     0    0.398   1.230    14.893    0.000    0.000
LGA    P   133_B      P   133_B    11.388     0    0.144   0.574    12.409    0.000    0.000
LGA    P   134_B      P   134_B    13.388     0    0.253   0.547    15.768    0.000    0.000
LGA    E   135_B      E   135_B    16.715     4    0.023   0.024    18.336    0.000    0.000
LGA    V   136_B      V   136_B    15.297     0    0.096   0.983    17.136    0.000    0.000
LGA    Q   137_B      Q   137_B    15.682     4    0.590   0.580    19.312    0.000    0.000
LGA    A   138_B      A   138_B    18.121     0    0.331   0.346    20.835    0.000    0.000
LGA    D   139_B      D   139_B    21.653     0    0.171   1.201    24.283    0.000    0.000
LGA    P   140_B      P   140_B    23.123     0    0.679   0.679    24.203    0.000    0.000
LGA    E   141_B      E   141_B    26.530     0    0.583   0.612    33.267    0.000    0.000
LGA    R   142_B      R   142_B    22.107     0    0.101   1.027    23.688    0.000    0.000
LGA    A   143_B      A   143_B    25.701     0    0.036   0.058    27.814    0.000    0.000
LGA    A   144_B      A   144_B    26.579     0    0.036   0.036    27.736    0.000    0.000
LGA    A   145_B      A   145_B    21.205     0    0.019   0.018    23.142    0.000    0.000
LGA    I   146_B      I   146_B    20.077     0    0.060   1.492    21.583    0.000    0.000
LGA    E   147_B      E   147_B    24.671     0    0.082   0.617    30.364    0.000    0.000
LGA    A   148_B      A   148_B    22.601     0    0.051   0.051    23.302    0.000    0.000
LGA    L   149_B      L   149_B    18.413     0    0.047   1.358    19.916    0.000    0.000
LGA    W   150_B      W   150_B    21.031     0    0.115   1.157    25.205    0.000    0.000
LGA    K   151_B      K   151_B    24.283     4    0.049   0.052    25.228    0.000    0.000
LGA    P   152_B      P   152_B    20.381     0    0.058   0.147    21.369    0.000    0.000
LGA    T   153_B      T   153_B    19.242     0    0.033   0.051    22.288    0.000    0.000
LGA    L   154_B      L   154_B    25.358     0    0.026   0.338    28.300    0.000    0.000
LGA    D   155_B      D   155_B    26.001     0    0.056   1.396    28.670    0.000    0.000
LGA    Q   156_B      Q   156_B    22.369     0    0.077   0.850    24.319    0.000    0.000
LGA    L   157_B      L   157_B    26.412     0    0.068   1.414    29.206    0.000    0.000
LGA    L   158_B      L   158_B    30.337     0    0.106   0.986    34.534    0.000    0.000
LGA    A   159_B      A   159_B    27.618     0    0.035   0.034    28.795    0.000    0.000
LGA    V   160_B      V   160_B    27.872     0    0.034   0.241    30.869    0.000    0.000
LGA    L   161_B      L   161_B    32.857     0    0.034   1.348    36.353    0.000    0.000
LGA    Q   162_B      Q   162_B    33.929     0    0.000   0.724    37.727    0.000    0.000
LGA    E   163_B      E   163_B    31.742     3    0.089   0.561    33.638    0.000    0.000
LGA    K   164_B      K   164_B    35.227     4    0.050   0.049    38.205    0.000    0.000
LGA    H   165_B      H   165_B    38.956     0    0.209   0.508    41.576    0.000    0.000
LGA    K   166_B      K   166_B    37.377     2    0.513   0.449    37.918    0.000    0.000
LGA    G   167_B      G   167_B    37.768     0    0.593   0.593    38.040    0.000    0.000
LGA    K   168_B      K   168_B    35.069     0    0.134   0.631    36.078    0.000    0.000
LGA    P   169_B      P   169_B    36.180     0    0.423   0.806    36.853    0.000    0.000
LGA    A   170_B      A   170_B    36.068     0    0.618   0.581    38.298    0.000    0.000
LGA    T   171_B      T   171_B    31.204     0    0.107   0.359    32.627    0.000    0.000
LGA    T   172_B      T   172_B    32.961     0    0.087   0.233    37.192    0.000    0.000
LGA    V   173_B      V   173_B    28.074     0    0.048   0.242    30.001    0.000    0.000
LGA    T   174_B      T   174_B    30.457     0    0.067   0.162    34.782    0.000    0.000
LGA    Y   175_B      Y   175_B    26.884     0    0.036   1.268    29.017    0.000    0.000
LGA    E   176_B      E   176_B    31.781     0    0.134   0.553    40.027    0.000    0.000
LGA    I   177_B      I   177_B    29.094     0    0.206   0.319    31.775    0.000    0.000
LGA    S   178_B      S   178_B    33.203     0    0.594   0.577    35.460    0.000    0.000
LGA    A   179_B      A   179_B    29.738     0    0.321   0.340    31.332    0.000    0.000
LGA    E   180_B      E   180_B    32.841     0    0.620   1.174    38.416    0.000    0.000
LGA    T   181_B      T   181_B    30.622     0    0.081   1.173    32.451    0.000    0.000
LGA    L   182_B      L   182_B    24.657     0    0.057   0.341    27.353    0.000    0.000
LGA    R   183_B      R   183_B    24.430     0    0.033   1.449    28.475    0.000    0.000
LGA    A   184_B      A   184_B    27.243     0    0.047   0.046    29.635    0.000    0.000
LGA    A   185_B      A   185_B    22.182     0    0.064   0.062    24.159    0.000    0.000
LGA    V   186_B      V   186_B    17.766     0    0.050   0.124    19.640    0.000    0.000
LGA    A   187_B      A   187_B    22.390     0    0.034   0.037    25.023    0.000    0.000
LGA    A   188_B      A   188_B    22.158     0    0.065   0.073    22.716    0.000    0.000
LGA    L   189_B      L   189_B    15.850     0    0.077   0.696    18.008    0.000    0.000
LGA    A   190_B      A   190_B    17.472     0    0.031   0.032    19.574    0.000    0.000
LGA    R   191_B      R   191_B    23.078     0    0.043   1.143    30.598    0.000    0.000
LGA    A   192_B      A   192_B    19.466     0    0.059   0.056    20.481    0.000    0.000
LGA    A   193_B      A   193_B    16.324     0    0.037   0.035    19.353    0.000    0.000
LGA    E   194_B      E   194_B    22.938     0    0.027   1.181    26.446    0.000    0.000
LGA    A   195_B      A   195_B    25.437     0    0.027   0.027    25.917    0.000    0.000
LGA    A   196_B      A   196_B    21.025     0    0.042   0.053    23.359    0.000    0.000
LGA    L   197_B      L   197_B    23.917     0    0.040   0.287    27.992    0.000    0.000
LGA    R   198_B      R   198_B    30.289     0    0.047   0.997    35.144    0.000    0.000
LGA    R   199_B      R   199_B    29.317     0    0.042   0.937    30.743    0.000    0.000
LGA    K   200_B      K   200_B    28.073     0    0.560   1.217    32.528    0.000    0.000
LGA    V   201_B      V   201_B    31.981     0    0.523   1.224    33.990    0.000    0.000
LGA    G   202_B      G   202_B    30.484     0    0.626   0.626    32.359    0.000    0.000
LGA    S   203_B      S   203_B    29.021     1    0.401   0.438    29.386    0.000    0.000
LGA    L   204_B      L   204_B    28.421     3    0.611   0.613    28.806    0.000    0.000
LGA    E   205_B      E   205_B    23.204     4    0.623   0.634    24.756    0.000    0.000
LGA    S   206_B      S   206_B    21.751     1    0.214   0.238    22.194    0.000    0.000
LGA    S   207_B      S   207_B    20.331     0    0.651   0.542    20.743    0.000    0.000
LGA    G   208_B      G   208_B    15.920     0    0.392   0.392    18.553    0.000    0.000
LGA    L   209_B      L   209_B    17.916     3    0.157   0.149    19.534    0.000    0.000
LGA    E   210_B      E   210_B    11.300     4    0.532   0.510    13.357    0.000    0.317

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1517   1517  100.00               207
SUMMARY(RMSD_GDC):    18.124         18.106                 18.198           12.723    9.813

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     36    2.56    16.908    14.501     1.353

LGA_LOCAL      RMSD:   2.561  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.173  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  18.124  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.400965 * X  +  -0.161286 * Y  +  -0.901784 * Z  +  34.879669
  Y_new =   0.569644 * X  +   0.814825 * Y  +   0.107550 * Z  + -38.193325
  Z_new =   0.717449 * X  +  -0.556819 * Y  +   0.418592 * Z  + -45.110405 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.957466 -0.800133 -0.926173   [DEG:   54.8588  -45.8443  -53.0658 ]
ZXZ: -1.689499  1.138902  2.230799   [DEG:  -96.8012   65.2543  127.8154 ]
 
# END of job
