
#######################################################
#                                                     #
#                        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:    47      57_B - 103_B       4.99    23.76
  LONGEST_CONTINUOUS_SEGMENT:    47      58_B - 104_B       4.92    23.65
  LCS_AVERAGE:     15.70

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      72_B - 100_B       1.98    23.98
  LCS_AVERAGE:      7.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      76_B - 98_B        0.99    24.10
  LONGEST_CONTINUOUS_SEGMENT:    23      77_B - 99_B        0.97    24.20
  LCS_AVERAGE:      4.98

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   15      2    5    8   12   14   17   19   22   23   25   26   34   38   41   45   50   57   60   65   68 
LCS_GDT     D     5_B     D     5_B      4    5   16      3    3    4    9   13   15   19   22   28   33   35   39   44   51   55   59   62   69   73   75 
LCS_GDT     F     6_B     F     6_B      4    5   16      3    3    5    5    5   15   19   22   23   25   26   34   39   43   50   55   58   64   66   71 
LCS_GDT     T     7_B     T     7_B      4   10   18      3    3    5    7    9   10   11   13   19   27   34   39   44   51   53   59   64   69   73   75 
LCS_GDT     G     8_B     G     8_B      9   10   23      4    8    9    9    9   10   11   15   21   29   35   39   47   51   54   59   64   69   73   76 
LCS_GDT     A     9_B     A     9_B      9   10   23      6    8    9    9    9   10   11   12   13   21   29   37   42   51   53   59   64   69   73   76 
LCS_GDT     R    10_B     R    10_B      9   10   23      6    8    9    9    9   14   15   17   25   33   39   42   45   51   54   59   64   69   73   76 
LCS_GDT     E    11_B     E    11_B      9   10   23      6    8    9    9   10   13   18   23   34   39   41   46   49   52   57   59   64   69   73   76 
LCS_GDT     R    12_B     R    12_B      9   10   23      6    8    9    9   10   13   19   26   29   33   39   44   47   51   56   59   64   69   73   76 
LCS_GDT     F    13_B     F    13_B      9   10   23      6    8   11   11   12   14   15   23   28   33   41   44   49   51   56   59   64   69   73   76 
LCS_GDT     L    14_B     L    14_B      9   10   23      6    8    9    9    9   13   23   33   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     A    15_B     A    15_B      9   10   23      6    8    9    9    9   10   11   12   16   20   22   26   37   49   57   59   64   69   73   76 
LCS_GDT     G    16_B     G    16_B      9   10   23      3    7    9    9    9   10   11   12   13   14   25   27   34   38   57   59   64   69   73   75 
LCS_GDT     D    17_B     D    17_B      3   10   23      3    3    4   10   14   15   16   18   21   24   25   28   38   38   44   51   64   69   73   75 
LCS_GDT     V    18_B     V    18_B      3   11   23      3    4    7   12   13   17   19   22   26   30   31   35   42   51   56   59   64   69   73   76 
LCS_GDT     T    19_B     T    19_B      9   11   23      3    6   11   11   13   15   16   22   26   30   35   37   42   51   56   59   64   69   73   76 
LCS_GDT     I    20_B     I    20_B      9   11   23      5   12   21   24   25   26   28   30   32   37   39   44   47   51   56   59   64   69   73   76 
LCS_GDT     V    21_B     V    21_B      9   11   23      6    8   11   11   17   26   27   28   30   34   39   44   47   51   56   59   64   69   73   76 
LCS_GDT     L    22_B     L    22_B      9   11   23      6    8   11   11   12   14   15   17   19   25   28   35   39   46   51   58   64   69   73   76 
LCS_GDT     L    23_B     L    23_B      9   11   23      6    8   11   11   12   14   15   17   20   28   34   38   42   46   54   58   64   69   73   76 
LCS_GDT     I    24_B     I    24_B      9   11   23      6    8   11   15   17   17   22   26   31   34   37   38   47   51   56   59   64   69   73   76 
LCS_GDT     A    25_B     A    25_B      9   11   23      6    8   11   11   12   14   15   20   31   32   34   38   42   51   56   59   64   69   73   76 
LCS_GDT     E    26_B     E    26_B      9   11   23      6    8   11   11   12   14   15   17   20   25   28   32   37   44   51   55   58   67   70   76 
LCS_GDT     S    27_B     S    27_B      9   11   23      4    8   11   11   12   14   15   17   20   25   28   35   39   46   51   55   58   67   70   76 
LCS_GDT     H    28_B     H    28_B      5   11   23      5    5    5    8   10   12   15   16   25   26   31   35   42   46   51   55   58   68   72   76 
LCS_GDT     D    29_B     D    29_B      5    8   23      5    5    5    6    9   10   12   15   19   22   27   32   39   44   50   54   58   67   70   76 
LCS_GDT     A    30_B     A    30_B      5    8   23      5    5    5    6    9   10   11   14   17   22   27   32   35   39   41   45   49   54   66   72 
LCS_GDT     P    31_B     P    31_B      5    8   21      5    5    5    6    9   15   16   18   22   25   27   34   37   41   44   47   49   52   56   62 
LCS_GDT     Y    32_B     Y    32_B      5    8   21      5    5    5   13   14   17   19   22   23   25   26   34   37   41   43   47   49   51   56   59 
LCS_GDT     R    33_B     R    33_B      4    8   21      3    4    6   13   14   16   18   20   23   25   27   34   37   41   44   47   49   52   56   60 
LCS_GDT     L    34_B     L    34_B      4    8   21      3    4    4    6    7   10   13   16   19   22   27   34   37   41   44   47   49   52   56   58 
LCS_GDT     A    35_B     A    35_B      3    8   21      3    3    4    6    7   10   13   17   19   22   27   34   37   41   44   47   49   51   53   58 
LCS_GDT     N    36_B     N    36_B      3    5   21      3    3    3    5    7   11   12   15   17   20   25   30   37   40   42   45   48   51   53   58 
LCS_GDT     P    37_B     P    37_B      3    5   28      3    3    5    6    7    8   10   11   14   16   19   24   29   34   39   43   45   47   53   57 
LCS_GDT     E    38_B     E    38_B      6    6   30      3    4    6    6    7    8   10   12   15   18   21   25   29   33   38   43   45   47   51   54 
LCS_GDT     D    39_B     D    39_B      6    6   30      3    4    6    6    9   10   16   19   20   22   27   34   37   41   44   47   49   51   53   57 
LCS_GDT     P    40_B     P    40_B      6    6   30      3    4    6    6    8    8   13   19   20   22   26   34   37   41   44   47   49   51   53   57 
LCS_GDT     E    41_B     E    41_B      6   11   30      3    4    6    6    7   10   10   15   17   22   27   34   37   41   44   47   49   51   53   57 
LCS_GDT     A    42_B     A    42_B      9   11   30      3    5    8    9   10   11   13   15   16   18   22   28   32   39   43   46   49   51   53   57 
LCS_GDT     D    43_B     D    43_B      9   11   30      5    7    8   10   11   13   14   16   20   22   23   31   37   41   43   47   49   51   53   57 
LCS_GDT     L    44_B     L    44_B      9   11   30      4    7    8   10   11   13   16   19   20   22   23   29   36   39   40   43   46   50   52   57 
LCS_GDT     S    45_B     S    45_B      9   11   30      5    7    8   10   11   13   16   19   20   22   23   25   31   35   40   40   43   48   52   54 
LCS_GDT     D    46_B     D    46_B      9   11   30      5    7    8   10   11   13   16   19   20   22   23   24   25   29   30   32   36   43   46   49 
LCS_GDT     E    47_B     E    47_B      9   11   30      5    7    8   10   11   13   16   19   20   22   23   24   25   29   31   33   36   40   44   46 
LCS_GDT     Q    48_B     Q    48_B      9   11   30      5    7    8   10   11   13   16   19   20   22   23   24   25   29   32   35   36   43   46   51 
LCS_GDT     L    49_B     L    49_B      9   11   30      5    7    8   10   11   13   16   19   20   22   23   24   25   29   30   36   37   43   46   50 
LCS_GDT     E    50_B     E    50_B      9   14   30      5    7    8   10   11   13   16   19   20   22   23   24   28   30   32   34   36   39   40   42 
LCS_GDT     R    51_B     R    51_B     14   15   30      3    8   10   14   15   15   18   22   23   25   26   28   29   30   33   34   38   40   46   50 
LCS_GDT     A    52_B     A    52_B     14   15   30      4   11   13   14   15   17   19   22   23   25   26   28   29   31   35   38   40   46   49   55 
LCS_GDT     L    53_B     L    53_B     14   15   30      5   11   13   14   15   17   19   22   23   25   26   28   29   31   35   38   40   41   48   55 
LCS_GDT     A    54_B     A    54_B     14   15   30      8   11   13   14   15   17   19   22   23   25   26   28   29   31   35   40   42   46   50   57 
LCS_GDT     A    55_B     A    55_B     14   15   30      8   11   13   14   15   17   19   22   23   25   26   28   31   38   45   47   55   60   63   67 
LCS_GDT     Y    56_B     Y    56_B     14   15   41      8   11   13   14   15   17   19   22   23   25   26   28   31   39   45   50   58   61   66   69 
LCS_GDT     L    57_B     L    57_B     14   15   47      8   11   13   14   15   17   19   22   23   25   26   28   29   31   36   40   49   53   61   65 
LCS_GDT     T    58_B     T    58_B     14   15   47      8   11   13   14   15   17   19   22   23   25   26   34   42   51   53   59   64   69   73   75 
LCS_GDT     L    59_B     L    59_B     14   15   47      8   11   13   14   15   17   19   22   26   31   41   43   47   51   56   59   64   69   73   76 
LCS_GDT     V    60_B     V    60_B     14   15   47      8   11   13   14   15   17   19   22   25   34   41   43   46   51   54   59   64   69   73   76 
LCS_GDT     E    61_B     E    61_B     14   15   47      8   11   13   14   15   17   19   22   23   34   41   43   46   51   54   59   64   69   73   76 
LCS_GDT     T    62_B     T    62_B     14   15   47      8   11   13   15   19   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     L    63_B     L    63_B     14   28   47      6   11   13   15   22   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     F    64_B     F    64_B     17   28   47     11   16   19   22   24   27   29   31   33   34   44   47   49   52   57   57   64   67   70   76 
LCS_GDT     P    65_B     P    65_B     17   28   47     12   16   19   22   24   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     E    66_B     E    66_B     17   28   47     12   16   19   22   24   27   30   34   36   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     L    67_B     L    67_B     17   28   47     12   16   19   22   24   27   29   31   33   38   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     Y    68_B     Y    68_B     17   28   47     12   16   19   22   24   27   29   34   36   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     A    69_B     A    69_B     17   28   47     12   16   19   22   24   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     E    70_B     E    70_B     17   28   47     12   16   19   22   24   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     M    71_B     M    71_B     17   28   47     12   16   19   22   24   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     K    72_B     K    72_B     17   29   47     12   16   19   22   24   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     A    73_B     A    73_B     17   29   47     12   16   19   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     A    74_B     A    74_B     17   29   47     12   16   19   22   24   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     L    75_B     L    75_B     17   29   47     12   16   19   22   24   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     A    76_B     A    76_B     23   29   47     12   16   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     A    77_B     A    77_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     A    78_B     A    78_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     K    79_B     K    79_B     23   29   47      4   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   75 
LCS_GDT     T    80_B     T    80_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     P    81_B     P    81_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   75 
LCS_GDT     E    82_B     E    82_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     E    83_B     E    83_B     23   29   47     10   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     K    84_B     K    84_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     I    85_B     I    85_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     A    86_B     A    86_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     V    87_B     V    87_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     F    88_B     F    88_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     R    89_B     R    89_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     E    90_B     E    90_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     Y    91_B     Y    91_B     23   29   47     11   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     N    92_B     N    92_B     23   29   47      9   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     A    93_B     A    93_B     23   29   47      9   17   22   24   25   27   30   34   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     R    94_B     R    94_B     23   29   47      9   15   22   24   25   27   29   32   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     F    95_B     F    95_B     23   29   47      9   15   22   24   25   27   29   32   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     L    96_B     L    96_B     23   29   47      9   15   22   24   25   27   29   32   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     A    97_B     A    97_B     23   29   47      9   15   22   24   25   27   29   32   35   40   43   46   49   52   57   59   64   69   73   75 
LCS_GDT     E    98_B     E    98_B     23   29   47      9   15   22   24   25   27   29   31   34   37   42   46   49   52   57   59   64   69   73   75 
LCS_GDT     F    99_B     F    99_B     23   29   47      9   14   22   24   25   27   29   31   34   37   40   44   49   52   57   59   64   69   73   75 
LCS_GDT     D   100_B     D   100_B      5   29   47      3    4    5   12   17   22   28   31   37   42   44   47   49   52   57   59   64   69   73   76 
LCS_GDT     A   101_B     A   101_B      5    7   47      4    4    5    8   11   17   28   32   35   42   44   47   49   52   57   59   64   69   73   75 
LCS_GDT     L   102_B     L   102_B      5    7   47      4    4    5    7   11   18   22   29   34   36   42   46   49   52   57   59   63   67   69   74 
LCS_GDT     I   103_B     I   103_B      4    7   47      4    4    5    8   14   17   24   29   34   36   42   46   49   52   57   58   61   67   69   74 
LCS_GDT     D   104_B     D   104_B      4    8   47      4    4    4    5    8   11   13   17   25   36   39   43   46   48   50   53   55   58   61   65 
LCS_GDT     Q   105_B     Q   105_B      7    8   46      6    8    8    8    8   11   13   17   26   31   36   43   46   48   50   53   55   58   60   64 
LCS_GDT     A   106_B     A   106_B      7    8   46      6    8    8    9   15   17   24   29   34   36   39   43   46   48   50   53   57   60   62   67 
LCS_GDT     F   107_B     F   107_B      7    8   23      6    8    8    8    8   10   15   26   29   33   39   43   46   48   50   53   55   58   61   64 
LCS_GDT     A   108_B     A   108_B      7    8   23      6    8    8    8    8   11   13   17   26   31   37   43   46   48   50   53   55   58   59   62 
LCS_GDT     R   109_B     R   109_B      7    8   23      6    8    8    8   10   13   22   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     L   110_B     L   110_B      7    8   23      6    8    8    8    8   11   21   28   34   36   39   43   46   48   50   53   55   58   61   64 
LCS_GDT     K   111_B     K   111_B      7    8   23      6    8    8    8   13   18   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     A   112_B     A   112_B      4    8   23      3    4    4    5   11   18   24   29   34   36   39   43   46   48   50   53   55   58   60   64 
LCS_GDT     D   113_B     D   113_B      4    4   23      3    3    4    4    6    8   11   14   21   28   33   39   44   48   50   53   57   60   62   67 
LCS_GDT     S   114_B     S   114_B      3    4   23      3    4    4    5    7    7   11   14   15   20   26   37   43   47   50   53   57   60   62   67 
LCS_GDT     L   115_B     L   115_B      3    4   23      0    3    3    5    7   11   21   28   32   35   38   43   46   50   53   56   58   61   67   69 
LCS_GDT     T   116_B     T   116_B      3    5   23      3    3    3    4    8   11   12   30   35   42   44   47   49   52   57   59   64   67   69   74 
LCS_GDT     L   117_B     L   117_B      5    7   23      4    5    5    7    7    9    9   16   30   36   44   47   49   52   57   59   64   67   69   74 
LCS_GDT     K   118_B     K   118_B      5    7   23      4    5    5    7    8    9   11   15   28   34   40   43   49   51   57   59   64   67   70   74 
LCS_GDT     I   119_B     I   119_B      5    7   23      4    5    5    7    8   26   28   30   31   37   39   44   47   51   56   59   64   69   73   76 
LCS_GDT     H   120_B     H   120_B      5    7   23      4    5    5    7    8    9   24   30   31   34   39   44   47   51   56   59   64   69   73   76 
LCS_GDT     L   121_B     L   121_B      5    7   21      3    5    5    7    8    9   14   22   31   32   34   38   42   46   54   59   64   69   73   76 
LCS_GDT     S   122_B     S   122_B      3    7   21      0    3    4    6    8    9    9   10   13   25   30   35   42   46   54   58   64   68   72   76 
LCS_GDT     Q   123_B     Q   123_B      3    7   21      3    3    4    6    8    9    9   10   25   30   31   35   42   46   51   55   58   67   70   76 
LCS_GDT     G   124_B     G   124_B      3    7   21      3    3    3    6    7    7    9   16   18   22   26   34   42   46   51   55   58   67   70   76 
LCS_GDT     K   125_B     K   125_B      3    6   21      3    3    3    6    7   11   13   17   19   22   26   34   37   41   51   55   58   67   70   76 
LCS_GDT     G   126_B     G   126_B      4    6   21      3    4    4    6    7   11   13   17   19   22   30   35   42   46   56   59   64   69   73   76 
LCS_GDT     S   127_B     S   127_B      4    6   21      3    4    4    6    6    9   12   17   31   37   38   44   47   51   56   59   64   69   73   76 
LCS_GDT     Y   128_B     Y   128_B      4    8   21      3    4    4    6    9   10   11   14   16   22   33   41   47   50   54   59   64   67   70   74 
LCS_GDT     E   129_B     E   129_B      4    8   21      3    4   18   20   24   27   30   34   37   42   44   47   49   52   57   59   64   67   69   74 
LCS_GDT     I   130_B     I   130_B      6    8   21      5    6   17   18   24   27   30   34   37   42   44   47   49   52   57   59   64   67   69   74 
LCS_GDT     I   131_B     I   131_B      6    8   21      5    6    6    6    8    9   15   20   35   42   44   47   49   52   57   59   64   67   69   72 
LCS_GDT     F   132_B     F   132_B      6    8   26      5    6    6    6    8    9   11   16   16   22   26   38   41   49   50   53   57   60   62   67 
LCS_GDT     P   133_B     P   133_B      6    8   29      5    6    6    6    8   11   12   17   19   22   26   34   37   41   44   47   50   53   61   64 
LCS_GDT     P   134_B     P   134_B      6    8   31      5    6    6    6   10   12   14   18   20   23   27   33   37   41   46   52   55   58   59   62 
LCS_GDT     E   135_B     E   135_B      6    8   34      4    6    6    6   10   12   16   18   20   23   24   33   37   40   46   52   55   58   59   62 
LCS_GDT     V   136_B     V   136_B      4    5   36      3    4    5   10   12   15   19   20   22   23   27   33   39   43   49   53   55   58   59   62 
LCS_GDT     Q   137_B     Q   137_B      4    5   36      3    4    5    6    8    9   13   16   18   20   24   30   35   40   42   44   46   53   59   62 
LCS_GDT     A   138_B     A   138_B      4    5   36      3    4    5    6    8   11   13   17   19   23   30   37   42   46   50   53   55   58   59   62 
LCS_GDT     D   139_B     D   139_B      4   18   36      3    4    5   10   12   16   19   23   28   34   38   42   46   48   50   53   55   58   59   62 
LCS_GDT     P   140_B     P   140_B     13   20   36      3   10   12   16   17   20   22   25   29   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     E   141_B     E   141_B     13   20   36      3   10   12   16   17   20   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     R   142_B     R   142_B     13   20   36      7   10   12   16   17   20   22   25   32   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     A   143_B     A   143_B     13   20   36      8   10   12   16   17   20   22   25   28   34   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     A   144_B     A   144_B     13   22   36      8   10   12   16   18   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     A   145_B     A   145_B     13   22   36      8   10   12   16   18   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     I   146_B     I   146_B     13   22   36      8   10   12   16   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     E   147_B     E   147_B     13   22   36      8   10   12   16   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     A   148_B     A   148_B     13   22   36      8   10   13   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     L   149_B     L   149_B     13   22   36      8   10   12   16   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     W   150_B     W   150_B     16   22   36      8   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     K   151_B     K   151_B     16   22   36      5   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     P   152_B     P   152_B     16   22   36      4   15   16   17   19   21   23   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     T   153_B     T   153_B     16   22   36     11   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     L   154_B     L   154_B     16   22   36     11   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     D   155_B     D   155_B     16   22   36     11   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     Q   156_B     Q   156_B     16   22   36     11   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     L   157_B     L   157_B     16   22   36     11   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     L   158_B     L   158_B     16   22   36     11   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     A   159_B     A   159_B     16   22   36     11   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     V   160_B     V   160_B     16   22   36     11   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     L   161_B     L   161_B     16   22   36     11   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     Q   162_B     Q   162_B     16   22   36     11   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     E   163_B     E   163_B     16   22   36     11   15   16   17   19   21   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     K   164_B     K   164_B     16   22   36     11   15   16   17   19   21   22   25   29   34   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     H   165_B     H   165_B     16   22   36      5   15   16   17   19   20   24   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     K   166_B     K   166_B      5   20   36      3    4    5    5    6    7   10   21   26   28   37   41   46   48   50   53   54   58   59   62 
LCS_GDT     G   167_B     G   167_B      5    7   36      3    4    5    5    7    7    8   10   14   17   27   30   32   34   42   52   53   56   59   61 
LCS_GDT     K   168_B     K   168_B      5    7   36      3    3    5    6    7   12   21   28   30   33   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     P   169_B     P   169_B      5    7   36      4    4    5    6    7    7    8   10   12   30   37   41   43   47   50   53   55   58   59   62 
LCS_GDT     A   170_B     A   170_B      5    7   36      4    4    5    6   15   19   24   28   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     T   171_B     T   171_B      5    7   36      4    4    5    7   11   18   22   29   34   36   39   43   46   48   50   53   55   58   59   62 
LCS_GDT     T   172_B     T   172_B      5    7   35      4    4    5    6    7    7    8   10   28   33   38   43   46   48   50   53   55   58   59   62 
LCS_GDT     V   173_B     V   173_B      5    7   35      3    4    5    6    7    7    9   13   17   20   24   26   30   34   40   42   47   52   55   57 
LCS_GDT     T   174_B     T   174_B      4    6   30      3    4    4    5    7   10   12   15   19   24   25   27   30   34   37   41   44   46   50   53 
LCS_GDT     Y   175_B     Y   175_B      4    6   30      3    4    4    5    6    8   10   12   17   24   25   27   30   34   37   41   44   46   50   53 
LCS_GDT     E   176_B     E   176_B      4    6   30      3    4    4    5    6    8   10   12   17   20   22   24   30   30   34   41   44   45   49   53 
LCS_GDT     I   177_B     I   177_B      4    6   30      3    4    4    5    9   12   16   22   23   24   27   28   30   32   37   41   44   45   50   53 
LCS_GDT     S   178_B     S   178_B     10   15   30      6    9   10   12   15   17   19   22   24   26   27   28   30   30   32   35   35   40   45   51 
LCS_GDT     A   179_B     A   179_B     10   15   30      6    9   10   11   15   17   19   22   24   26   27   28   30   30   32   35   35   38   40   42 
LCS_GDT     E   180_B     E   180_B     10   15   30      6    9   10   11   15   17   19   22   24   26   27   28   30   30   32   35   36   40   46   51 
LCS_GDT     T   181_B     T   181_B     10   15   30      6    9   10   12   15   17   19   22   24   26   27   28   30   34   37   41   44   46   50   53 
LCS_GDT     L   182_B     L   182_B     10   15   30      6    9   10   11   15   17   19   22   24   26   27   28   30   30   32   35   43   45   48   53 
LCS_GDT     R   183_B     R   183_B     10   15   30      6    9   10   11   15   17   19   22   24   26   27   28   30   30   32   35   43   45   47   52 
LCS_GDT     A   184_B     A   184_B     10   15   30      6    9   10   12   15   17   19   22   24   26   27   28   30   34   37   41   49   53   58   62 
LCS_GDT     A   185_B     A   185_B     10   15   30      5    9   10   12   15   17   19   22   24   26   27   28   30   34   40   50   54   57   61   64 
LCS_GDT     V   186_B     V   186_B     10   15   30      4    9   10   12   15   17   19   22   24   26   27   28   41   47   49   53   57   59   61   67 
LCS_GDT     A   187_B     A   187_B     10   15   30      4    7   10   12   15   17   20   28   32   35   37   45   47   52   55   58   61   65   69   71 
LCS_GDT     A   188_B     A   188_B      7   15   30      5    6    7   12   15   17   27   32   35   38   42   46   49   52   57   58   64   67   69   74 
LCS_GDT     L   189_B     L   189_B      7   15   30      5    6    7   12   15   25   28   32   35   40   44   47   49   52   57   59   64   69   73   75 
LCS_GDT     A   190_B     A   190_B      7   15   30      5    6    7   13   24   27   30   34   37   42   44   47   49   52   57   59   64   69   73   75 
LCS_GDT     R   191_B     R   191_B      7   15   30      5    6   10   12   15   17   30   34   37   42   44   47   49   52   57   59   64   69   73   75 
LCS_GDT     A   192_B     A   192_B      7   15   30      5    6    7   12   15   18   21   27   37   40   44   47   49   51   57   59   64   69   73   76 
LCS_GDT     A   193_B     A   193_B      7   14   30      5    6    7   10   13   17   19   22   26   28   34   37   43   50   56   59   64   69   73   76 
LCS_GDT     E   194_B     E   194_B      7   14   30      5    6    7   10   13   16   19   22   24   26   27   29   37   42   49   54   58   67   70   76 
LCS_GDT     A   195_B     A   195_B      7   14   30      5    6    7   10   13   16   19   22   26   30   34   37   42   47   51   55   61   67   71   76 
LCS_GDT     A   196_B     A   196_B      7   14   30      5    6    7   10   13   16   19   22   24   26   27   33   40   46   51   55   58   67   70   76 
LCS_GDT     L   197_B     L   197_B      7   14   30      5    6    7   10   13   16   18   22   24   26   27   29   30   34   38   44   47   60   66   72 
LCS_GDT     R   198_B     R   198_B      7   14   30      5    6    7   10   13   16   19   22   24   26   27   29   30   34   38   44   47   60   66   72 
LCS_GDT     R   199_B     R   199_B      7   14   30      3    6    7   10   14   17   19   22   24   26   27   28   32   35   41   46   53   60   66   74 
LCS_GDT     K   200_B     K   200_B      5    6   30      4    4    6    9   14   17   19   22   24   26   27   28   32   35   40   44   50   57   60   63 
LCS_GDT     V   201_B     V   201_B      5    6   30      4    4    5    5    6    6   10   15   19   24   25   28   32   35   40   44   50   57   60   63 
LCS_GDT     G   202_B     G   202_B      5    6   29      4    4    5    5    6    7    8   10   15   18   21   28   32   39   41   45   50   59   69   76 
LCS_GDT     S   203_B     S   203_B      5    6   28      4    4    5    5    5    7    8   10   14   17   21   28   32   39   41   45   50   57   66   76 
LCS_GDT     L   204_B     L   204_B      5    6   17      3    4    5    5    6    6    7    8    9   11   12   18   25   31   39   44   48   53   58   63 
LCS_GDT     E   205_B     E   205_B      4    6   17      4    4    4    4    6    6    7    8   10   15   28   28   35   39   40   45   50   57   60   63 
LCS_GDT     S   206_B     S   206_B      4    6   17      4    4    4    4    6    7    8   10   14   25   28   28   35   39   41   49   54   61   69   76 
LCS_GDT     S   207_B     S   207_B      4    6   17      4    4    4    4    6    6    7   10   14   18   28   28   35   39   41   49   53   60   68   76 
LCS_GDT     G   208_B     G   208_B      4    5   17      4    4    4    4    6    6    7   10   13   17   21   28   35   39   43   51   54   67   70   76 
LCS_GDT     L   209_B     L   209_B      3    4   17      3    3    3    3    4    5    7   10   12   17   21   26   30   39   40   49   53   61   68   75 
LCS_GDT     E   210_B     E   210_B      3    4   11      3    3    3    3    4    5    5    8    8   13   17   22   26   28   33   37   40   47   52   59 
LCS_AVERAGE  LCS_A:   9.25  (   4.98    7.09   15.70 )

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     17     22     24     25     27     30     34     37     42     44     47     49     52     57     59     64     69     73     76 
GDT PERCENT_AT   5.80   8.21  10.63  11.59  12.08  13.04  14.49  16.43  17.87  20.29  21.26  22.71  23.67  25.12  27.54  28.50  30.92  33.33  35.27  36.71
GDT RMS_LOCAL    0.25   0.62   0.91   1.02   1.12   1.53   2.11   2.48   2.82   3.18   3.40   3.63   3.91   4.18   4.65   4.94   5.22   5.83   6.07   6.74
GDT RMS_ALL_AT  29.12  23.75  24.23  24.17  24.30  24.18  23.47  23.46  23.34  23.30  23.23  23.22  23.26  23.34  23.20  23.54  23.32  24.45  24.52  25.33

# 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:  E    26_B      E    26_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  D    43_B      D    43_B
#   possible swapping detected:  D    46_B      D    46_B
#   possible swapping detected:  E    70_B      E    70_B
#   possible swapping detected:  E    90_B      E    90_B
#   possible swapping detected:  F    95_B      F    95_B
#   possible swapping detected:  F    99_B      F    99_B
#   possible swapping detected:  D   100_B      D   100_B
#   possible swapping detected:  D   113_B      D   113_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  F   132_B      F   132_B
#   possible swapping detected:  D   139_B      D   139_B
#   possible swapping detected:  E   141_B      E   141_B
#   possible swapping detected:  E   147_B      E   147_B
#   possible swapping detected:  E   176_B      E   176_B
#   possible swapping detected:  E   180_B      E   180_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    21.304     0    0.213   0.241    25.174    0.000    0.000
LGA    D     5_B      D     5_B    15.657     3    0.593   0.570    17.403    0.000    0.000
LGA    F     6_B      F     6_B    16.161     0    0.287   1.270    23.732    0.000    0.000
LGA    T     7_B      T     7_B    15.187     0    0.196   1.298    17.514    0.000    0.000
LGA    G     8_B      G     8_B    13.509     0    0.279   0.279    14.305    0.000    0.000
LGA    A     9_B      A     9_B    13.998     0    0.052   0.054    15.646    0.000    0.000
LGA    R    10_B      R    10_B     9.034     6    0.058   0.059    10.720    5.476    2.251
LGA    E    11_B      E    11_B     7.523     0    0.053   1.432    11.152    5.000    3.651
LGA    R    12_B      R    12_B    11.768     0    0.026   1.370    22.068    0.000    0.000
LGA    F    13_B      F    13_B     8.935     0    0.045   1.392    10.453    5.833    2.641
LGA    L    14_B      L    14_B     5.549     3    0.123   0.159     8.077   13.333    9.940
LGA    A    15_B      A    15_B    10.867     0    0.182   0.179    13.488    0.714    0.571
LGA    G    16_B      G    16_B    11.547     0    0.189   0.189    13.770    0.000    0.000
LGA    D    17_B      D    17_B    16.404     0    0.494   0.530    22.055    0.000    0.000
LGA    V    18_B      V    18_B    16.116     0    0.062   1.079    18.398    0.000    0.000
LGA    T    19_B      T    19_B    16.137     0    0.462   1.128    17.698    0.000    0.000
LGA    I    20_B      I    20_B    11.795     0    0.049   1.487    12.877    0.000    0.417
LGA    V    21_B      V    21_B    11.289     0    0.042   0.208    13.171    0.000    0.000
LGA    L    22_B      L    22_B    17.052     0    0.046   1.014    21.815    0.000    0.000
LGA    L    23_B      L    23_B    18.140     0    0.074   0.148    22.081    0.000    0.000
LGA    I    24_B      I    24_B    14.370     0    0.074   1.427    15.456    0.000    0.893
LGA    A    25_B      A    25_B    14.930     0    0.071   0.089    17.375    0.000    0.000
LGA    E    26_B      E    26_B    20.504     0    0.072   1.289    24.969    0.000    0.000
LGA    S    27_B      S    27_B    20.578     0    0.708   0.849    21.712    0.000    0.000
LGA    H    28_B      H    28_B    19.803     0    0.120   1.024    22.530    0.000    0.000
LGA    D    29_B      D    29_B    23.624     0    0.230   0.795    28.920    0.000    0.000
LGA    A    30_B      A    30_B    23.695     0    0.064   0.096    24.451    0.000    0.000
LGA    P    31_B      P    31_B    27.059     0    0.090   0.156    29.809    0.000    0.000
LGA    Y    32_B      Y    32_B    25.819     0    0.172   1.307    26.797    0.000    0.000
LGA    R    33_B      R    33_B    29.148     0    0.082   1.202    31.390    0.000    0.000
LGA    L    34_B      L    34_B    31.415     0    0.606   1.111    33.288    0.000    0.000
LGA    A    35_B      A    35_B    37.637     0    0.042   0.060    40.053    0.000    0.000
LGA    N    36_B      N    36_B    38.151     3    0.416   0.503    39.886    0.000    0.000
LGA    P    37_B      P    37_B    38.730     0    0.615   0.575    39.270    0.000    0.000
LGA    E    38_B      E    38_B    42.818     4    0.538   0.497    44.572    0.000    0.000
LGA    D    39_B      D    39_B    43.843     0    0.327   0.582    46.171    0.000    0.000
LGA    P    40_B      P    40_B    42.329     0    0.201   0.367    42.690    0.000    0.000
LGA    E    41_B      E    41_B    41.924     0    0.137   1.104    42.411    0.000    0.000
LGA    A    42_B      A    42_B    42.256     0    0.189   0.188    43.914    0.000    0.000
LGA    D    43_B      D    43_B    44.494     0    0.531   1.307    46.047    0.000    0.000
LGA    L    44_B      L    44_B    44.552     0    0.152   0.257    45.196    0.000    0.000
LGA    S    45_B      S    45_B    47.309     0    0.039   0.780    49.305    0.000    0.000
LGA    D    46_B      D    46_B    44.982     0    0.049   0.781    48.279    0.000    0.000
LGA    E    47_B      E    47_B    43.570     0    0.039   0.996    47.634    0.000    0.000
LGA    Q    48_B      Q    48_B    39.164     0    0.040   1.688    41.239    0.000    0.000
LGA    L    49_B      L    49_B    36.143     0    0.134   0.880    40.521    0.000    0.000
LGA    E    50_B      E    50_B    36.016     4    0.029   0.055    38.070    0.000    0.000
LGA    R    51_B      R    51_B    29.816     0    0.598   1.047    32.927    0.000    0.000
LGA    A    52_B      A    52_B    25.131     0    0.348   0.355    26.867    0.000    0.000
LGA    L    53_B      L    53_B    22.986     0    0.072   0.945    28.533    0.000    0.000
LGA    A    54_B      A    54_B    21.228     0    0.064   0.078    22.635    0.000    0.000
LGA    A    55_B      A    55_B    18.225     0    0.042   0.057    19.707    0.000    0.000
LGA    Y    56_B      Y    56_B    14.991     0    0.041   1.205    19.054    0.000    0.000
LGA    L    57_B      L    57_B    14.844     0    0.053   0.234    21.135    0.000    0.000
LGA    T    58_B      T    58_B    12.104     0    0.045   1.227    15.179    0.714    0.408
LGA    L    59_B      L    59_B     8.811     0    0.046   0.232    10.445    9.762    7.381
LGA    V    60_B      V    60_B     7.148     0    0.036   1.130    10.420   12.976    8.027
LGA    E    61_B      E    61_B     6.827     0    0.073   0.382    11.147   24.524   12.011
LGA    T    62_B      T    62_B     3.526     0    0.046   0.790     7.141   50.595   37.891
LGA    L    63_B      L    63_B     2.374     0    0.124   1.332     5.277   49.762   46.964
LGA    F    64_B      F    64_B     6.325     0    0.516   0.909    14.034   25.238    9.437
LGA    P    65_B      P    65_B     3.856     0    0.040   0.389     5.976   45.476   38.299
LGA    E    66_B      E    66_B     3.862     0    0.049   0.908     4.760   41.786   44.444
LGA    L    67_B      L    67_B     5.760     0    0.041   1.147    10.206   27.619   16.548
LGA    Y    68_B      Y    68_B     4.236     0    0.059   1.077     5.192   47.619   37.857
LGA    A    69_B      A    69_B     1.093     0    0.039   0.062     2.176   75.119   76.381
LGA    E    70_B      E    70_B     3.542     0    0.039   0.477     7.964   51.905   31.164
LGA    M    71_B      M    71_B     3.315     0    0.025   1.070     6.002   59.405   47.321
LGA    K    72_B      K    72_B     1.408     0    0.029   0.663     7.036   81.548   55.608
LGA    A    73_B      A    73_B     1.515     0    0.066   0.087     2.461   79.405   76.476
LGA    A    74_B      A    74_B     1.819     0    0.051   0.052     3.005   84.048   77.238
LGA    L    75_B      L    75_B     1.769     0    0.052   1.304     6.432   73.333   51.905
LGA    A    76_B      A    76_B     2.992     0    0.024   0.037     3.759   53.810   53.048
LGA    A    77_B      A    77_B     2.965     0    0.027   0.038     3.357   55.357   55.714
LGA    A    78_B      A    78_B     1.908     0    0.085   0.127     2.041   72.857   71.238
LGA    K    79_B      K    79_B     2.398     0    0.019   1.038     4.512   62.857   55.450
LGA    T    80_B      T    80_B     2.091     0    0.040   1.202     3.510   66.786   65.170
LGA    P    81_B      P    81_B     2.458     0    0.026   0.104     3.641   68.810   59.796
LGA    E    82_B      E    82_B     1.588     4    0.046   0.055     1.798   79.405   43.386
LGA    E    83_B      E    83_B     0.369     4    0.047   0.075     1.022   97.619   52.434
LGA    K    84_B      K    84_B     1.103     0    0.042   0.797     4.408   88.214   67.619
LGA    I    85_B      I    85_B     0.748     0    0.049   1.158     3.685   95.238   77.500
LGA    A    86_B      A    86_B     0.922     0    0.027   0.043     1.395   88.333   86.952
LGA    V    87_B      V    87_B     1.519     0    0.055   1.326     3.924   79.405   72.381
LGA    F    88_B      F    88_B     1.051     0    0.023   0.128     2.318   83.690   80.087
LGA    R    89_B      R    89_B     0.830     0    0.042   0.902     5.207   85.952   66.320
LGA    E    90_B      E    90_B     1.889     0    0.035   0.834     4.259   70.952   58.201
LGA    Y    91_B      Y    91_B     2.150     0    0.146   1.405     7.878   61.190   48.214
LGA    N    92_B      N    92_B     2.489     0    0.023   1.223     3.556   57.500   61.310
LGA    A    93_B      A    93_B     3.442     0    0.063   0.061     4.751   43.929   45.143
LGA    R    94_B      R    94_B     5.268     0    0.058   0.958     9.661   25.476   19.221
LGA    F    95_B      F    95_B     5.667     0    0.037   0.675     7.270   21.548   18.701
LGA    L    96_B      L    96_B     5.347     0    0.058   1.004     6.927   22.738   21.310
LGA    A    97_B      A    97_B     6.930     0    0.047   0.073     8.254   10.595   11.143
LGA    E    98_B      E    98_B     8.103     0    0.044   0.776     9.153    5.238   13.651
LGA    F    99_B      F    99_B     8.104     0    0.254   1.464    12.195    9.643    3.723
LGA    D   100_B      D   100_B     5.480     0    0.068   1.128     9.191   30.476   19.345
LGA    A   101_B      A   101_B     5.367     0    0.592   0.587     9.712   18.452   19.048
LGA    L   102_B      L   102_B     9.578     0    0.076   1.444    13.589    2.619    1.369
LGA    I   103_B      I   103_B     9.168     0    0.587   0.805    10.586    1.548    4.643
LGA    D   104_B      D   104_B    13.467     0    0.056   0.377    16.292    0.000    0.000
LGA    Q   105_B      Q   105_B    15.866     0    0.572   1.306    19.985    0.000    0.000
LGA    A   106_B      A   106_B    12.027     0    0.064   0.066    13.724    0.000    0.000
LGA    F   107_B      F   107_B    16.110     0    0.109   1.099    18.861    0.000    0.000
LGA    A   108_B      A   108_B    20.578     0    0.045   0.048    21.498    0.000    0.000
LGA    R   109_B      R   109_B    18.106     0    0.122   1.114    20.324    0.000    0.000
LGA    L   110_B      L   110_B    15.808     3    0.063   0.061    18.135    0.000    0.000
LGA    K   111_B      K   111_B    21.980     2    0.320   0.636    28.444    0.000    0.000
LGA    A   112_B      A   112_B    19.181     0    0.601   0.575    19.720    0.000    0.000
LGA    D   113_B      D   113_B    14.373     0    0.451   1.243    16.021    0.000    0.000
LGA    S   114_B      S   114_B    13.999     0    0.526   0.578    16.139    0.000    0.000
LGA    L   115_B      L   115_B    10.128     0    0.591   1.345    12.721    5.119    2.560
LGA    T   116_B      T   116_B     5.621     0    0.642   0.574     7.298   17.500   14.286
LGA    L   117_B      L   117_B     6.765     0    0.056   1.024     9.158   15.238   13.512
LGA    K   118_B      K   118_B     9.620     0    0.073   1.681    10.190    1.429    2.063
LGA    I   119_B      I   119_B    13.479     0    0.048   0.473    16.962    0.000    0.000
LGA    H   120_B      H   120_B    17.709     0    0.178   1.288    20.005    0.000    0.000
LGA    L   121_B      L   121_B    24.168     0    0.107   0.304    26.960    0.000    0.000
LGA    S   122_B      S   122_B    26.007     0    0.190   0.572    29.680    0.000    0.000
LGA    Q   123_B      Q   123_B    31.578     4    0.524   0.528    33.284    0.000    0.000
LGA    G   124_B      G   124_B    30.763     0    0.235   0.235    31.085    0.000    0.000
LGA    K   125_B      K   125_B    26.635     4    0.535   0.553    27.897    0.000    0.000
LGA    G   126_B      G   126_B    21.787     0    0.070   0.070    23.436    0.000    0.000
LGA    S   127_B      S   127_B    14.907     0    0.128   0.687    17.523    0.000    0.000
LGA    Y   128_B      Y   128_B     9.858     0    0.578   1.439    17.823    5.119    1.706
LGA    E   129_B      E   129_B     2.891     0    0.204   1.149     5.539   40.000   51.746
LGA    I   130_B      I   130_B     2.743     0    0.564   0.867     5.661   50.833   47.262
LGA    I   131_B      I   131_B     5.565     0    0.063   1.210     8.119   19.881   21.250
LGA    F   132_B      F   132_B    11.225     0    0.059   1.247    13.627    0.357    5.022
LGA    P   133_B      P   133_B    17.664     0    0.084   0.276    19.157    0.000    0.000
LGA    P   134_B      P   134_B    22.850     0    0.638   0.541    25.347    0.000    0.000
LGA    E   135_B      E   135_B    23.799     4    0.050   0.074    25.218    0.000    0.000
LGA    V   136_B      V   136_B    22.847     0    0.521   1.133    25.075    0.000    0.000
LGA    Q   137_B      Q   137_B    28.020     4    0.431   0.432    29.991    0.000    0.000
LGA    A   138_B      A   138_B    31.363     0    0.759   0.704    33.674    0.000    0.000
LGA    D   139_B      D   139_B    27.013     0    0.563   1.198    28.277    0.000    0.000
LGA    P   140_B      P   140_B    27.224     0    0.133   0.176    29.728    0.000    0.000
LGA    E   141_B      E   141_B    29.078     0    0.085   0.577    32.944    0.000    0.000
LGA    R   142_B      R   142_B    25.444     0    0.064   1.506    27.327    0.000    0.000
LGA    A   143_B      A   143_B    24.660     0    0.032   0.064    25.490    0.000    0.000
LGA    A   144_B      A   144_B    27.419     0    0.036   0.050    28.673    0.000    0.000
LGA    A   145_B      A   145_B    26.989     0    0.036   0.044    27.028    0.000    0.000
LGA    I   146_B      I   146_B    24.779     0    0.030   0.812    25.592    0.000    0.000
LGA    E   147_B      E   147_B    26.871     0    0.047   0.910    28.870    0.000    0.000
LGA    A   148_B      A   148_B    28.538     0    0.066   0.064    29.137    0.000    0.000
LGA    L   149_B      L   149_B    26.482     0    0.031   0.929    26.989    0.000    0.000
LGA    W   150_B      W   150_B    25.808     0    0.030   1.192    28.187    0.000    0.000
LGA    K   151_B      K   151_B    28.999     4    0.072   0.073    29.889    0.000    0.000
LGA    P   152_B      P   152_B    28.104     0    0.592   0.534    28.155    0.000    0.000
LGA    T   153_B      T   153_B    26.522     0    0.202   1.166    28.341    0.000    0.000
LGA    L   154_B      L   154_B    29.606     0    0.048   0.433    31.609    0.000    0.000
LGA    D   155_B      D   155_B    31.608     0    0.040   0.906    34.963    0.000    0.000
LGA    Q   156_B      Q   156_B    29.704     0    0.026   1.179    31.010    0.000    0.000
LGA    L   157_B      L   157_B    31.013     0    0.048   1.145    33.364    0.000    0.000
LGA    L   158_B      L   158_B    34.821     0    0.019   0.948    36.594    0.000    0.000
LGA    A   159_B      A   159_B    34.509     0    0.030   0.046    35.389    0.000    0.000
LGA    V   160_B      V   160_B    33.441     0    0.062   0.284    35.572    0.000    0.000
LGA    L   161_B      L   161_B    36.248     0    0.070   0.834    38.771    0.000    0.000
LGA    Q   162_B      Q   162_B    39.315     0    0.026   0.691    40.668    0.000    0.000
LGA    E   163_B      E   163_B    37.987     3    0.108   0.180    39.128    0.000    0.000
LGA    K   164_B      K   164_B    38.848     4    0.051   0.052    41.152    0.000    0.000
LGA    H   165_B      H   165_B    42.140     0    0.065   1.025    45.597    0.000    0.000
LGA    K   166_B      K   166_B    43.929     2    0.622   0.504    44.189    0.000    0.000
LGA    G   167_B      G   167_B    44.190     0    0.617   0.617    44.190    0.000    0.000
LGA    K   168_B      K   168_B    42.032     0    0.204   1.435    42.829    0.000    0.000
LGA    P   169_B      P   169_B    40.827     0    0.036   0.113    41.033    0.000    0.000
LGA    A   170_B      A   170_B    40.558     0    0.108   0.106    41.899    0.000    0.000
LGA    T   171_B      T   171_B    35.733     0    0.101   1.330    37.798    0.000    0.000
LGA    T   172_B      T   172_B    35.992     0    0.590   1.397    36.767    0.000    0.000
LGA    V   173_B      V   173_B    35.024     0    0.065   0.997    37.052    0.000    0.000
LGA    T   174_B      T   174_B    39.602     0    0.029   1.011    43.708    0.000    0.000
LGA    Y   175_B      Y   175_B    37.446     0    0.188   1.137    40.164    0.000    0.000
LGA    E   176_B      E   176_B    40.996     0    0.597   0.747    47.149    0.000    0.000
LGA    I   177_B      I   177_B    37.385     0    0.147   1.137    38.870    0.000    0.000
LGA    S   178_B      S   178_B    37.597     0    0.660   0.576    39.079    0.000    0.000
LGA    A   179_B      A   179_B    34.490     0    0.089   0.109    36.254    0.000    0.000
LGA    E   180_B      E   180_B    31.181     0    0.044   0.659    34.362    0.000    0.000
LGA    T   181_B      T   181_B    27.902     0    0.044   0.047    31.214    0.000    0.000
LGA    L   182_B      L   182_B    26.179     0    0.041   0.256    31.563    0.000    0.000
LGA    R   183_B      R   183_B    22.745     0    0.057   1.654    24.526    0.000    0.000
LGA    A   184_B      A   184_B    19.508     0    0.037   0.047    21.318    0.000    0.000
LGA    A   185_B      A   185_B    17.137     0    0.075   0.085    19.298    0.000    0.000
LGA    V   186_B      V   186_B    14.075     0    0.145   0.949    15.715    0.119    0.068
LGA    A   187_B      A   187_B    10.341     0    0.101   0.124    12.075    5.476    4.381
LGA    A   188_B      A   188_B     7.792     0    0.090   0.104    10.117   12.976   10.381
LGA    L   189_B      L   189_B     6.563     0    0.066   1.246    10.931   22.976   12.738
LGA    A   190_B      A   190_B     2.650     0    0.039   0.059     5.022   45.833   42.952
LGA    R   191_B      R   191_B     3.511     0    0.152   1.013    10.750   36.310   26.061
LGA    A   192_B      A   192_B     7.151     0    0.100   0.124    11.151   10.714    9.524
LGA    A   193_B      A   193_B    10.879     0    0.111   0.133    14.857    0.714    0.571
LGA    E   194_B      E   194_B    13.317     0    0.072   1.038    16.456    0.000    0.000
LGA    A   195_B      A   195_B    14.666     0    0.043   0.048    19.386    0.000    0.000
LGA    A   196_B      A   196_B    19.831     0    0.018   0.040    23.808    0.000    0.000
LGA    L   197_B      L   197_B    22.381     0    0.141   0.731    25.868    0.000    0.000
LGA    R   198_B      R   198_B    23.063     0    0.065   1.382    26.747    0.000    0.000
LGA    R   199_B      R   199_B    25.283     0    0.617   1.198    27.636    0.000    0.000
LGA    K   200_B      K   200_B    26.732     0    0.574   0.830    33.369    0.000    0.000
LGA    V   201_B      V   201_B    24.241     0    0.039   1.218    24.937    0.000    0.000
LGA    G   202_B      G   202_B    22.770     0    0.174   0.174    23.283    0.000    0.000
LGA    S   203_B      S   203_B    24.756     1    0.539   0.560    25.275    0.000    0.000
LGA    L   204_B      L   204_B    25.780     3    0.279   0.279    27.385    0.000    0.000
LGA    E   205_B      E   205_B    22.846     4    0.410   0.398    23.817    0.000    0.000
LGA    S   206_B      S   206_B    22.180     1    0.085   0.081    23.832    0.000    0.000
LGA    S   207_B      S   207_B    22.772     0    0.171   0.787    25.470    0.000    0.000
LGA    G   208_B      G   208_B    19.411     0    0.626   0.626    20.420    0.000    0.000
LGA    L   209_B      L   209_B    18.257     3    0.243   0.247    19.558    0.000    0.000
LGA    E   210_B      E   210_B    19.440     4    0.509   0.465    21.521    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    1517   1517  100.00               207
SUMMARY(RMSD_GDC):    20.937         20.806                 21.134           12.667   10.695

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     34    2.48    16.184    14.046     1.316

LGA_LOCAL      RMSD:   2.483  Number of atoms:   34  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.463  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  20.937  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.410999 * X  +   0.381279 * Y  +  -0.828074 * Z  +  -1.958309
  Y_new =  -0.879263 * X  +  -0.074123 * Y  +  -0.470534 * Z  +  15.880229
  Z_new =  -0.240784 * X  +   0.921484 * Y  +   0.304780 * Z  + -25.089941 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.133538  0.243173  1.251373   [DEG:  -64.9470   13.9328   71.6984 ]
ZXZ: -1.054067  1.261088 -0.255586   [DEG:  -60.3936   72.2551  -14.6440 ]
 
# END of job
