
#######################################################
#                                                     #
#                        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      58_B - 109_B       4.89    23.24
  LONGEST_CONTINUOUS_SEGMENT:    52      59_B - 110_B       4.96    23.22
  LONGEST_CONTINUOUS_SEGMENT:    52      60_B - 111_B       4.99    23.23
  LONGEST_CONTINUOUS_SEGMENT:    52      61_B - 112_B       4.89    23.06
  LCS_AVERAGE:     18.46

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29     178_B - 206_B       1.77    29.62
  LCS_AVERAGE:      7.83

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26     178_B - 203_B       0.93    29.30
  LONGEST_CONTINUOUS_SEGMENT:    26     179_B - 204_B       0.94    29.41
  LCS_AVERAGE:      5.66

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    5   17      3    3    4    5    6    7   10   11   14   16   18   20   26   28   34   45   47   55   60   67 
LCS_GDT     D     5_B     D     5_B      3    5   17      3    3    4    5    6    7   10   11   14   16   18   21   26   30   41   45   47   55   60   67 
LCS_GDT     F     6_B     F     6_B      3    5   17      3    3    4    5    7    7    9   19   22   27   29   32   34   40   60   65   68   70   74   76 
LCS_GDT     T     7_B     T     7_B      3   12   17      3    3    4    5   10   12   18   22   26   33   37   44   50   52   60   65   68   71   74   76 
LCS_GDT     G     8_B     G     8_B      9   12   18      6    7    8    9   11   13   18   23   31   34   40   45   49   55   60   65   68   71   74   76 
LCS_GDT     A     9_B     A     9_B      9   12   18      6    7    8    9   11   12   13   16   23   29   35   40   45   52   57   62   65   69   70   73 
LCS_GDT     R    10_B     R    10_B      9   12   20      6    7    8    9   11   12   14   21   25   30   42   42   50   55   59   65   68   71   74   76 
LCS_GDT     E    11_B     E    11_B      9   12   20      6    7   12   13   15   19   24   30   38   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     R    12_B     R    12_B      9   12   20      6    7    8    9   11   17   23   30   36   40   44   47   50   56   59   65   68   70   74   76 
LCS_GDT     F    13_B     F    13_B      9   12   20      6    7    8    9   11   12   23   28   33   40   43   47   50   56   59   62   68   71   74   76 
LCS_GDT     L    14_B     L    14_B      9   12   20      4    7   15   16   16   17   24   33   42   47   49   55   58   60   62   66   68   71   74   78 
LCS_GDT     A    15_B     A    15_B      9   12   20      4    7    8    9   11   12   13   14   27   33   47   48   50   57   62   66   68   70   74   78 
LCS_GDT     G    16_B     G    16_B      9   12   20      4    7    8    9   11   12   16   20   33   40   44   47   50   56   59   62   65   69   74   76 
LCS_GDT     D    17_B     D    17_B      5   12   20      4    4    8    9   11   13   20   22   29   34   38   45   49   53   59   61   65   69   70   73 
LCS_GDT     V    18_B     V    18_B      5   12   20      4    4    8    9   11   12   15   21   25   34   37   42   47   52   57   61   65   68   70   73 
LCS_GDT     T    19_B     T    19_B      3   12   20      3    3    4    5   11   13   20   22   29   34   38   43   49   53   59   61   65   69   70   73 
LCS_GDT     I    20_B     I    20_B      3    4   20      0    3    4    7   14   18   24   26   30   35   44   46   50   55   59   62   65   69   70   73 
LCS_GDT     V    21_B     V    21_B      3    3   20      3    3    3    4    7   11   16   21   28   34   39   45   50   55   59   62   65   69   70   73 
LCS_GDT     L    22_B     L    22_B      3    3   20      3    3    3    7   12   18   20   27   36   40   44   46   50   55   59   62   65   69   70   73 
LCS_GDT     L    23_B     L    23_B      3    3   20      3    3    4    4    7   19   22   26   29   36   41   44   49   55   59   62   65   69   70   73 
LCS_GDT     I    24_B     I    24_B      3    3   20      3    3    4    4    4    6    8   11   14   17   20   27   42   49   54   58   61   68   70   71 
LCS_GDT     A    25_B     A    25_B      4    5   20      3    4    4    6    7   10   12   13   14   17   19   22   26   40   44   47   59   63   66   69 
LCS_GDT     E    26_B     E    26_B      4    5   20      3    4    4    5    6    7   12   13   13   15   16   19   22   44   51   58   60   64   68   70 
LCS_GDT     S    27_B     S    27_B      4    6   20      3    4    5    6    8   10   12   13   13   15   17   19   22   23   26   29   33   36   38   39 
LCS_GDT     H    28_B     H    28_B      4    6   20      3    4    5    5    7   10   12   13   14   17   19   22   24   27   32   40   47   52   56   63 
LCS_GDT     D    29_B     D    29_B      4    6   20      0    3    5    7    8   10   12   13   16   22   25   32   35   38   44   46   52   54   59   63 
LCS_GDT     A    30_B     A    30_B      4    6   18      3    3    5    7    8   10   13   13   15   16   17   26   34   37   41   45   48   51   53   59 
LCS_GDT     P    31_B     P    31_B      4    6   20      3    3    5    7    8   11   14   17   21   26   30   32   37   39   41   45   48   51   54   59 
LCS_GDT     Y    32_B     Y    32_B      4    7   20      3    3    5    7    8   11   14   17   21   25   30   32   37   39   41   45   48   51   57   62 
LCS_GDT     R    33_B     R    33_B      3    7   20      3    3    4    5    6    8   14   17   21   25   29   32   37   39   41   45   51   53   61   64 
LCS_GDT     L    34_B     L    34_B      3    7   20      3    3    4    7    8    8   10   11   13   16   21   25   27   32   39   44   48   51   57   59 
LCS_GDT     A    35_B     A    35_B      3    7   23      3    3    5    7    8    8    9   10   13   16   18   19   25   31   32   34   38   44   49   52 
LCS_GDT     N    36_B     N    36_B      4    7   25      3    5    5    7    8    8   10   11   14   16   18   23   27   31   32   32   34   39   44   47 
LCS_GDT     P    37_B     P    37_B      4    7   26      3    5    5    7    8   10   12   13   15   18   21   23   27   31   32   32   34   35   40   47 
LCS_GDT     E    38_B     E    38_B      4    7   26      3    5    5    7    8   10   12   13   14   16   18   21   27   31   32   32   34   35   39   44 
LCS_GDT     D    39_B     D    39_B      5    7   26      5    5    6    9   12   13   14   16   18   19   21   23   27   31   32   32   34   35   39   44 
LCS_GDT     P    40_B     P    40_B      5    7   26      5    5    5    5    6    6    8   13   18   19   21   23   25   31   32   32   34   35   39   41 
LCS_GDT     E    41_B     E    41_B      5   14   26      5    5    5    7    8    8    9   10   11   16   20   22   24   25   29   30   33   34   39   41 
LCS_GDT     A    42_B     A    42_B     13   14   26      5    8   12   12   13   13   13   15   18   19   21   23   27   31   32   32   34   35   39   41 
LCS_GDT     D    43_B     D    43_B     13   14   26      5   11   12   12   13   13   14   16   18   19   21   23   27   31   32   32   34   35   39   41 
LCS_GDT     L    44_B     L    44_B     13   14   26      6   11   12   12   13   13   14   16   18   19   21   23   27   31   32   32   34   35   39   42 
LCS_GDT     S    45_B     S    45_B     13   14   26      8   11   12   12   13   13   14   16   18   19   21   23   27   31   32   32   34   35   39   42 
LCS_GDT     D    46_B     D    46_B     13   14   26      8   11   12   12   13   13   14   16   18   19   21   23   27   31   32   33   34   41   42   45 
LCS_GDT     E    47_B     E    47_B     13   14   26      8   11   12   12   13   13   14   16   18   19   21   23   27   31   35   37   39   43   46   52 
LCS_GDT     Q    48_B     Q    48_B     13   14   26      8   11   12   12   13   13   14   16   18   19   21   23   27   31   32   33   36   40   45   52 
LCS_GDT     L    49_B     L    49_B     13   14   26      8   11   12   12   13   13   14   16   18   19   21   23   27   31   32   33   39   43   46   52 
LCS_GDT     E    50_B     E    50_B     13   14   26      8   11   12   12   13   13   14   16   18   19   21   25   27   31   35   37   42   45   50   54 
LCS_GDT     R    51_B     R    51_B     13   14   26      8   11   12   12   13   13   14   16   18   19   21   24   27   31   35   40   46   48   53   58 
LCS_GDT     A    52_B     A    52_B     13   14   26      8   11   12   12   13   13   13   16   18   19   21   24   27   31   34   40   46   48   53   58 
LCS_GDT     L    53_B     L    53_B     13   14   26      3   11   12   12   13   13   13   16   18   19   23   25   28   34   36   41   46   51   54   62 
LCS_GDT     A    54_B     A    54_B     13   14   26      3    6    8   12   13   13   14   16   21   26   30   32   37   39   41   45   49   58   64   67 
LCS_GDT     A    55_B     A    55_B      8    9   26      5    8    8    8   10   11   14   17   21   26   30   32   37   39   41   51   58   63   67   72 
LCS_GDT     Y    56_B     Y    56_B      8    9   26      5    8    8    8   10   11   14   17   21   26   30   32   37   39   41   45   48   52   54   63 
LCS_GDT     L    57_B     L    57_B      8    9   50      5    8    8    8   10   13   14   18   23   26   30   32   37   39   44   46   54   56   59   64 
LCS_GDT     T    58_B     T    58_B      8    9   52      5    8    8    8   10   13   14   18   23   27   36   41   48   55   59   62   65   69   70   73 
LCS_GDT     L    59_B     L    59_B      8    9   52      5    8    8    8   10   11   14   18   23   27   32   35   44   52   59   62   65   69   70   73 
LCS_GDT     V    60_B     V    60_B      8    9   52      4    8    8    8   10   11   14   18   23   26   30   33   38   47   54   58   64   68   70   72 
LCS_GDT     E    61_B     E    61_B      8    9   52      4    8    8    8   10   13   18   24   28   31   37   43   48   55   59   62   65   69   70   73 
LCS_GDT     T    62_B     T    62_B      8    9   52      3    8    8   12   17   22   27   34   39   42   44   48   51   56   59   62   65   71   73   76 
LCS_GDT     L    63_B     L    63_B      4   18   52      3    4    4    5    8   21   29   34   39   42   44   48   51   56   62   65   67   71   74   78 
LCS_GDT     F    64_B     F    64_B     16   19   52     11   15   16   19   23   28   31   35   39   42   44   48   50   56   59   62   65   69   72   78 
LCS_GDT     P    65_B     P    65_B     16   19   52     12   15   16   23   28   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     E    66_B     E    66_B     16   19   52     12   15   16   21   28   29   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     L    67_B     L    67_B     16   19   52     12   15   16   19   23   29   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     Y    68_B     Y    68_B     16   19   52     12   15   16   19   26   29   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     A    69_B     A    69_B     16   19   52     12   15   16   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     E    70_B     E    70_B     16   19   52     12   15   16   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     M    71_B     M    71_B     16   19   52     12   15   16   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   77 
LCS_GDT     K    72_B     K    72_B     16   19   52     12   15   16   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     A    73_B     A    73_B     16   19   52     12   15   16   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     A    74_B     A    74_B     16   19   52     12   15   16   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   77 
LCS_GDT     L    75_B     L    75_B     16   19   52     12   15   16   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     A    76_B     A    76_B     16   19   52     12   15   16   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     A    77_B     A    77_B     16   19   52     10   15   16   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     A    78_B     A    78_B     16   19   52     10   15   16   19   23   27   31   35   39   42   44   48   51   56   58   62   65   69   72   78 
LCS_GDT     K    79_B     K    79_B     16   19   52      6   10   16   18   23   27   31   33   38   40   44   48   51   56   58   62   65   69   72   78 
LCS_GDT     T    80_B     T    80_B      3   19   52      3    3    4   10   20   28   32   35   39   42   44   48   51   56   58   62   65   69   70   77 
LCS_GDT     P    81_B     P    81_B      3   19   52      3    3    4    7   11   25   26   31   33   39   44   48   51   54   57   61   62   64   72   78 
LCS_GDT     E    82_B     E    82_B      3   19   52      3    3   10   16   21   28   32   35   38   42   44   48   51   56   58   61   64   69   72   78 
LCS_GDT     E    83_B     E    83_B     16   17   52     10   14   15   16   20   27   29   35   39   42   44   48   51   56   59   62   65   69   70   73 
LCS_GDT     K    84_B     K    84_B     16   17   52     10   14   15   16   22   27   30   35   39   42   44   48   51   56   59   62   65   69   70   73 
LCS_GDT     I    85_B     I    85_B     16   17   52     10   14   15   17   22   28   32   35   39   42   44   48   51   56   59   62   65   69   70   77 
LCS_GDT     A    86_B     A    86_B     16   17   52     10   14   15   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     V    87_B     V    87_B     16   17   52     10   14   15   17   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     F    88_B     F    88_B     16   17   52     10   14   15   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     R    89_B     R    89_B     16   17   52     10   14   15   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     E    90_B     E    90_B     16   17   52     10   14   15   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     Y    91_B     Y    91_B     16   17   52     10   14   15   18   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     N    92_B     N    92_B     16   17   52     10   14   15   19   23   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     A    93_B     A    93_B     16   17   52     10   14   15   17   22   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     R    94_B     R    94_B     16   17   52      6   14   15   17   22   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     F    95_B     F    95_B     16   17   52      6   14   15   17   22   28   32   35   39   42   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     L    96_B     L    96_B     16   17   52     10   14   15   17   22   28   32   35   39   42   44   48   51   56   59   63   67   69   73   78 
LCS_GDT     A    97_B     A    97_B     16   17   52      6   14   15   17   22   27   32   35   39   42   44   48   51   58   62   66   67   69   73   78 
LCS_GDT     E    98_B     E    98_B     16   17   52      3    6   11   16   20   27   32   35   39   42   50   55   58   60   62   66   67   71   74   78 
LCS_GDT     F    99_B     F    99_B      9   17   52      4    9   15   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     D   100_B     D   100_B      9   14   52      4    9   15   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     A   101_B     A   101_B     10   14   52      4    6   13   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     L   102_B     L   102_B     10   14   52      5    9   15   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     I   103_B     I   103_B     10   14   52      6    9   11   16   23   34   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     D   104_B     D   104_B     10   14   52      6    9   11   19   30   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     Q   105_B     Q   105_B     10   14   52      6    9   15   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     A   106_B     A   106_B     10   14   52      6    9   14   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     F   107_B     F   107_B     10   14   52      6    9   14   19   30   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     A   108_B     A   108_B     10   14   52      6    9   15   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     R   109_B     R   109_B     10   14   52      6    9   15   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     L   110_B     L   110_B     10   14   52      6    9   14   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     K   111_B     K   111_B     10   14   52      4    9   14   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     A   112_B     A   112_B      3   14   52      3    3    7    9   15   26   31   36   43   47   49   55   58   60   62   66   68   71   74   78 
LCS_GDT     D   113_B     D   113_B      4    9   51      3    4    6    6    8    9   11   13   22   32   39   44   51   59   62   66   68   71   74   78 
LCS_GDT     S   114_B     S   114_B      4    9   33      3    4    6    6    8   13   20   31   36   40   49   55   58   60   62   66   68   71   74   78 
LCS_GDT     L   115_B     L   115_B      5    9   33      4    4    6   10   13   22   34   40   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     T   116_B     T   116_B      5    9   33      4    4    6   10   15   22   35   40   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     L   117_B     L   117_B      5    9   33      4    4    7    8   15   26   32   37   40   46   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     K   118_B     K   118_B      5    9   33      4    4    6   11   15   27   31   36   38   41   44   48   56   60   62   66   67   71   74   78 
LCS_GDT     I   119_B     I   119_B      5    9   33      3    4    7   11   15   21   31   36   38   40   44   48   55   60   62   66   67   71   74   78 
LCS_GDT     H   120_B     H   120_B      4    9   33      3    4    6    8   11   18   22   33   35   40   41   45   49   55   62   65   67   69   72   78 
LCS_GDT     L   121_B     L   121_B      4    8   33      3    4    4    6   10   16   19   24   29   36   40   44   49   52   59   62   66   68   72   78 
LCS_GDT     S   122_B     S   122_B      4    6   33      3    3    4    5    6    7   10   14   20   27   31   37   42   49   51   54   61   65   72   78 
LCS_GDT     Q   123_B     Q   123_B      4    6   33      3    3    4    5    6    7    7    8   13   21   22   22   29   35   45   52   54   58   67   78 
LCS_GDT     G   124_B     G   124_B      3    5   39      3    3    4    4   10   15   18   21   27   30   39   44   47   51   55   60   65   67   72   78 
LCS_GDT     K   125_B     K   125_B      3    5   43      3    3    4    4    5   10   16   25   31   37   41   45   49   55   61   65   67   69   72   78 
LCS_GDT     G   126_B     G   126_B      4    6   43      3    4    5   10   14   16   20   23   29   37   43   51   56   60   62   66   67   71   74   77 
LCS_GDT     S   127_B     S   127_B      4    6   43      3    4    4   10   14   17   21   25   28   38   48   55   58   60   62   66   67   71   74   76 
LCS_GDT     Y   128_B     Y   128_B      4    9   43      3    4    5    7   13   17   21   27   31   39   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     E   129_B     E   129_B      4    9   43      3    4    5    7   10   20   25   30   31   40   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     I   130_B     I   130_B      4    9   43      3    4    5   18   20   25   27   30   32   40   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     I   131_B     I   131_B      4    9   43      3    4    5    7   13   25   27   30   31   40   48   55   58   60   62   66   68   71   74   76 
LCS_GDT     F   132_B     F   132_B      4    9   43      3    4    5    6    8   12   17   22   27   32   39   49   57   60   62   66   68   71   74   76 
LCS_GDT     P   133_B     P   133_B      4    9   43      3    4    5    6    8    9   11   15   16   23   29   34   46   55   60   63   67   71   73   76 
LCS_GDT     P   134_B     P   134_B      4    9   43      3    4    5    6    8   10   11   15   29   32   41   52   58   60   62   66   68   71   74   76 
LCS_GDT     E   135_B     E   135_B      4    9   43      3    4    5    6    8   18   27   30   32   39   47   49   56   60   62   66   68   71   74   76 
LCS_GDT     V   136_B     V   136_B      4   16   43      3    3    5    9   21   32   38   43   44   46   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     Q   137_B     Q   137_B     11   25   43      3    3   10   11   27   33   41   43   44   47   49   55   58   60   62   66   68   71   74   76 
LCS_GDT     A   138_B     A   138_B     11   25   43      3    3   10   11   27   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     D   139_B     D   139_B     11   25   43      3    9   13   19   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     P   140_B     P   140_B     11   25   43      4    9   14   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     E   141_B     E   141_B     11   26   43      6    9   15   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     R   142_B     R   142_B     11   26   43      6    9   15   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     A   143_B     A   143_B     11   26   43      6    9   15   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     A   144_B     A   144_B     11   26   43      6    9   14   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     A   145_B     A   145_B     11   26   43      6    9   15   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     I   146_B     I   146_B     11   26   43      6    9   14   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     E   147_B     E   147_B     11   26   43      5    9   15   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     A   148_B     A   148_B     19   26   43      5   14   18   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     L   149_B     L   149_B     19   26   43      5    6   14   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     W   150_B     W   150_B     19   26   43      9   16   18   21   29   33   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     K   151_B     K   151_B     19   26   43     14   16   18   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     P   152_B     P   152_B     19   26   43      4   16   18   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     T   153_B     T   153_B     19   26   43     14   16   18   23   30   35   41   43   44   47   50   55   58   60   62   66   68   71   74   78 
LCS_GDT     L   154_B     L   154_B     19   26   43     14   16   18   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     D   155_B     D   155_B     19   26   43     14   16   18   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     Q   156_B     Q   156_B     19   26   43     14   16   18   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     L   157_B     L   157_B     19   26   43     14   16   18   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     L   158_B     L   158_B     19   26   43     14   16   18   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     A   159_B     A   159_B     19   26   43     14   16   18   22   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     V   160_B     V   160_B     19   26   43     14   16   18   23   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     L   161_B     L   161_B     19   26   43     14   16   18   22   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     Q   162_B     Q   162_B     19   26   43     14   16   18   20   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     E   163_B     E   163_B     19   26   43     14   16   18   21   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     K   164_B     K   164_B     19   26   43     14   16   18   22   31   36   41   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     H   165_B     H   165_B     19   26   43     14   16   18   20   28   34   40   43   44   47   50   55   58   60   62   66   68   71   74   76 
LCS_GDT     K   166_B     K   166_B     19   26   43      9   16   18   20   24   30   38   43   44   46   49   55   58   60   62   66   68   71   74   76 
LCS_GDT     G   167_B     G   167_B      3   23   43      3    3    4    9   15   20   22   25   27   30   36   44   50   52   60   65   68   70   74   76 
LCS_GDT     K   168_B     K   168_B      3    6   43      3    3    4    6    8   11   16   21   24   27   30   31   35   38   40   45   68   70   73   76 
LCS_GDT     P   169_B     P   169_B      3    6   43      3    3    4    5    7   10   12   14   18   20   25   30   32   36   39   43   45   47   52   72 
LCS_GDT     A   170_B     A   170_B      3    6   36      0    3    4    5    7   10   12   14   18   21   25   30   33   36   40   43   45   47   52   63 
LCS_GDT     T   171_B     T   171_B      4    6   36      2    4    4    4    5   10   12   14   18   19   22   25   29   30   33   36   43   46   50   63 
LCS_GDT     T   172_B     T   172_B      4    6   36      3    4    4    6    7   10   12   15   18   21   25   30   33   36   40   43   45   47   50   63 
LCS_GDT     V   173_B     V   173_B      4    6   36      3    4    4    5    7   10   12   15   20   26   30   32   33   36   40   43   45   48   65   70 
LCS_GDT     T   174_B     T   174_B      4    6   36      3    4    4    6    8   11   16   19   23   26   30   32   33   36   40   43   45   47   50   55 
LCS_GDT     Y   175_B     Y   175_B      4    6   36      3    4    5    6    8   11   16   21   24   26   30   32   33   36   39   43   44   47   50   52 
LCS_GDT     E   176_B     E   176_B      4    6   36      3    4    5    5    7    8   13   17   21   26   30   32   33   37   38   40   42   46   50   52 
LCS_GDT     I   177_B     I   177_B      4   28   36      3    4    5    6    8   11   16   24   27   32   35   36   38   39   39   40   41   44   48   52 
LCS_GDT     S   178_B     S   178_B     26   29   36      5   15   25   26   28   29   30   33   34   35   35   36   38   39   39   40   41   42   44   47 
LCS_GDT     A   179_B     A   179_B     26   29   36      5   13   20   26   28   29   30   33   34   35   35   36   38   39   39   40   41   42   44   46 
LCS_GDT     E   180_B     E   180_B     26   29   36     13   22   25   26   28   29   30   33   34   35   35   36   38   39   39   40   41   43   48   52 
LCS_GDT     T   181_B     T   181_B     26   29   36     13   22   25   26   28   29   30   33   34   35   35   36   38   39   39   41   43   47   50   52 
LCS_GDT     L   182_B     L   182_B     26   29   36     13   22   25   26   28   29   30   33   34   35   35   36   38   39   39   40   41   46   50   52 
LCS_GDT     R   183_B     R   183_B     26   29   36     13   22   25   26   28   29   30   33   34   35   35   36   38   39   39   40   41   42   45   47 
LCS_GDT     A   184_B     A   184_B     26   29   36     13   22   25   26   28   29   30   33   34   35   35   36   38   39   39   41   43   46   50   52 
LCS_GDT     A   185_B     A   185_B     26   29   36     13   22   25   26   28   29   30   33   34   35   35   36   38   39   40   50   56   65   72   78 
LCS_GDT     V   186_B     V   186_B     26   29   36     13   22   25   26   28   29   30   33   34   35   35   36   38   39   39   44   53   63   72   78 
LCS_GDT     A   187_B     A   187_B     26   29   36     13   22   25   26   28   29   30   33   34   35   35   36   38   39   46   49   54   61   68   72 
LCS_GDT     A   188_B     A   188_B     26   29   36     13   22   25   26   28   29   30   33   34   35   37   44   50   53   55   58   62   64   72   78 
LCS_GDT     L   189_B     L   189_B     26   29   36     13   22   25   26   28   29   30   33   34   40   44   48   51   56   57   61   62   66   72   78 
LCS_GDT     A   190_B     A   190_B     26   29   36     13   22   25   26   28   29   31   35   39   41   44   48   51   56   59   62   65   69   72   78 
LCS_GDT     R   191_B     R   191_B     26   29   36     13   22   25   26   28   29   30   34   39   41   44   48   51   56   59   62   65   69   70   73 
LCS_GDT     A   192_B     A   192_B     26   29   36     13   22   25   26   28   29   32   35   39   42   44   48   51   56   59   62   65   69   70   77 
LCS_GDT     A   193_B     A   193_B     26   29   36     13   22   25   26   28   29   30   34   39   42   44   47   51   56   59   62   65   69   70   73 
LCS_GDT     E   194_B     E   194_B     26   29   36     12   22   25   26   28   29   30   33   34   35   38   43   50   55   59   62   65   69   70   73 
LCS_GDT     A   195_B     A   195_B     26   29   36     12   22   25   26   28   29   30   33   34   35   37   42   47   52   56   61   65   68   70   72 
LCS_GDT     A   196_B     A   196_B     26   29   36     12   22   25   26   28   29   30   33   34   35   35   36   47   52   56   59   63   63   65   67 
LCS_GDT     L   197_B     L   197_B     26   29   36     12   22   25   26   28   29   30   33   34   35   35   36   38   42   50   52   56   61   64   67 
LCS_GDT     R   198_B     R   198_B     26   29   36     12   22   25   26   28   29   30   33   34   35   35   36   38   39   44   45   49   53   63   65 
LCS_GDT     R   199_B     R   199_B     26   29   36     12   22   25   26   28   29   30   33   34   35   35   36   38   39   44   44   49   59   63   65 
LCS_GDT     K   200_B     K   200_B     26   29   36     12   22   25   26   28   29   30   33   34   35   35   36   38   39   39   40   41   42   45   55 
LCS_GDT     V   201_B     V   201_B     26   29   36     12   22   25   26   28   29   30   33   34   35   35   36   38   39   39   40   41   42   45   47 
LCS_GDT     G   202_B     G   202_B     26   29   36     12   20   25   26   28   29   30   33   34   35   35   36   38   39   39   40   41   42   45   47 
LCS_GDT     S   203_B     S   203_B     26   29   36     10   20   25   26   28   29   30   33   34   35   35   36   38   39   39   40   41   42   45   47 
LCS_GDT     L   204_B     L   204_B     26   29   36      4    5   19   25   28   29   30   33   34   35   35   36   38   39   39   40   41   42   45   47 
LCS_GDT     E   205_B     E   205_B      5   29   36      4    4    5   25   28   29   30   33   34   35   35   36   38   39   39   40   41   42   45   47 
LCS_GDT     S   206_B     S   206_B      5   29   36      4    4    5    6   15   18   25   31   34   35   35   36   38   39   39   40   41   42   45   47 
LCS_GDT     S   207_B     S   207_B      5    6   36      3    4    5    6   10   15   23   33   34   35   35   36   38   39   39   40   41   42   45   47 
LCS_GDT     G   208_B     G   208_B      3    6   36      3    3    3    6   10   14   21   33   34   35   35   36   38   39   39   40   41   42   45   47 
LCS_GDT     L   209_B     L   209_B      3    6   36      3    3    3    6   12   18   29   33   34   35   35   36   38   39   39   40   41   42   44   46 
LCS_GDT     E   210_B     E   210_B      3    6   36      3    3    3    5   12   26   29   33   34   35   35   36   38   39   39   40   41   42   44   46 
LCS_AVERAGE  LCS_A:  10.65  (   5.66    7.83   18.46 )

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     22     25     26     31     36     41     43     44     47     50     55     58     60     62     66     68     71     74     78 
GDT PERCENT_AT   6.76  10.63  12.08  12.56  14.98  17.39  19.81  20.77  21.26  22.71  24.15  26.57  28.02  28.99  29.95  31.88  32.85  34.30  35.75  37.68
GDT RMS_LOCAL    0.27   0.65   0.85   0.93   1.71   1.93   2.15   2.29   2.37   2.79   3.45   3.72   4.06   4.35   4.44   4.77   5.31   5.52   5.69   7.78
GDT RMS_ALL_AT  24.91  29.48  29.40  29.30  24.30  24.38  24.37  24.37  24.38  24.19  23.91  23.87  23.70  23.54  23.59  23.48  23.69  23.14  23.38  22.38

# Checking swapping
#   possible swapping detected:  F    13_B      F    13_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  D    43_B      D    43_B
#   possible swapping detected:  D    46_B      D    46_B
#   possible swapping detected:  E    47_B      E    47_B
#   possible swapping detected:  F    64_B      F    64_B
#   possible swapping detected:  E    66_B      E    66_B
#   possible swapping detected:  Y    68_B      Y    68_B
#   possible swapping detected:  E    70_B      E    70_B
#   possible swapping detected:  F    88_B      F    88_B
#   possible swapping detected:  D   100_B      D   100_B
#   possible swapping detected:  D   104_B      D   104_B
#   possible swapping detected:  F   107_B      F   107_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  E   129_B      E   129_B
#   possible swapping detected:  D   139_B      D   139_B
#   possible swapping detected:  E   141_B      E   141_B
#   possible swapping detected:  D   155_B      D   155_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     4_B      P     4_B    16.327     0    0.386   0.739    17.027    0.000    0.000
LGA    D     5_B      D     5_B    15.323     3    0.602   0.593    17.400    0.000    0.000
LGA    F     6_B      F     6_B    12.610     0    0.611   1.241    19.668    0.000    0.000
LGA    T     7_B      T     7_B    11.049     0    0.134   1.003    12.198    0.000    0.000
LGA    G     8_B      G     8_B    11.364     0    0.283   0.283    12.047    0.000    0.000
LGA    A     9_B      A     9_B    15.048     0    0.077   0.074    17.245    0.000    0.000
LGA    R    10_B      R    10_B    10.940     6    0.040   0.042    11.896    1.429    0.519
LGA    E    11_B      E    11_B     5.717     0    0.163   1.302     7.236   13.690   36.402
LGA    R    12_B      R    12_B    11.103     0    0.060   1.179    21.338    0.357    0.130
LGA    F    13_B      F    13_B    11.855     0    0.179   1.374    19.159    0.119    0.043
LGA    L    14_B      L    14_B     6.123     3    0.094   0.090     7.931   17.976   12.262
LGA    A    15_B      A    15_B     7.461     0    0.162   0.154     9.308    8.690    7.238
LGA    G    16_B      G    16_B    10.721     0    0.087   0.087    14.311    0.357    0.357
LGA    D    17_B      D    17_B    16.171     0    0.226   1.378    18.666    0.000    0.000
LGA    V    18_B      V    18_B    18.797     0    0.253   1.322    22.452    0.000    0.000
LGA    T    19_B      T    19_B    19.966     0    0.461   1.160    22.470    0.000    0.000
LGA    I    20_B      I    20_B    18.500     0    0.617   0.739    19.633    0.000    0.000
LGA    V    21_B      V    21_B    20.934     0    0.575   0.720    24.071    0.000    0.000
LGA    L    22_B      L    22_B    23.496     0    0.584   1.143    24.922    0.000    0.000
LGA    L    23_B      L    23_B    26.536     0    0.613   0.647    30.292    0.000    0.000
LGA    I    24_B      I    24_B    29.953     0    0.326   1.023    33.740    0.000    0.000
LGA    A    25_B      A    25_B    33.997     0    0.528   0.556    35.632    0.000    0.000
LGA    E    26_B      E    26_B    36.146     0    0.179   1.213    39.352    0.000    0.000
LGA    S    27_B      S    27_B    41.222     0    0.674   0.703    42.331    0.000    0.000
LGA    H    28_B      H    28_B    42.701     0    0.461   0.498    44.336    0.000    0.000
LGA    D    29_B      D    29_B    44.133     0    0.339   1.413    47.902    0.000    0.000
LGA    A    30_B      A    30_B    44.760     0    0.266   0.348    44.760    0.000    0.000
LGA    P    31_B      P    31_B    43.346     0    0.131   0.208    46.900    0.000    0.000
LGA    Y    32_B      Y    32_B    37.507     0    0.375   1.174    39.149    0.000    0.000
LGA    R    33_B      R    33_B    37.025     0    0.426   1.242    38.278    0.000    0.000
LGA    L    34_B      L    34_B    39.103     0    0.155   1.370    41.037    0.000    0.000
LGA    A    35_B      A    35_B    44.101     0    0.065   0.067    45.942    0.000    0.000
LGA    N    36_B      N    36_B    46.669     3    0.049   0.066    49.469    0.000    0.000
LGA    P    37_B      P    37_B    41.053     0    0.101   0.532    42.674    0.000    0.000
LGA    E    38_B      E    38_B    45.387     4    0.072   0.071    47.421    0.000    0.000
LGA    D    39_B      D    39_B    46.324     0    0.099   0.624    46.469    0.000    0.000
LGA    P    40_B      P    40_B    46.543     0    0.117   0.153    47.432    0.000    0.000
LGA    E    41_B      E    41_B    45.953     0    0.047   0.764    46.719    0.000    0.000
LGA    A    42_B      A    42_B    47.513     0    0.679   0.612    51.120    0.000    0.000
LGA    D    43_B      D    43_B    49.357     0    0.223   1.084    50.671    0.000    0.000
LGA    L    44_B      L    44_B    47.593     0    0.036   0.068    50.180    0.000    0.000
LGA    S    45_B      S    45_B    52.054     0    0.084   0.129    53.277    0.000    0.000
LGA    D    46_B      D    46_B    50.829     0    0.073   0.462    55.616    0.000    0.000
LGA    E    47_B      E    47_B    47.838     0    0.024   0.854    50.713    0.000    0.000
LGA    Q    48_B      Q    48_B    43.167     0    0.010   0.281    48.535    0.000    0.000
LGA    L    49_B      L    49_B    41.318     0    0.035   0.216    46.368    0.000    0.000
LGA    E    50_B      E    50_B    40.830     4    0.042   0.039    43.022    0.000    0.000
LGA    R    51_B      R    51_B    36.422     0    0.020   0.815    45.076    0.000    0.000
LGA    A    52_B      A    52_B    31.948     0    0.089   0.085    34.054    0.000    0.000
LGA    L    53_B      L    53_B    32.762     0    0.653   1.194    34.459    0.000    0.000
LGA    A    54_B      A    54_B    32.876     0    0.052   0.055    32.876    0.000    0.000
LGA    A    55_B      A    55_B    30.990     0    0.561   0.574    31.659    0.000    0.000
LGA    Y    56_B      Y    56_B    31.241     0    0.079   1.014    36.072    0.000    0.000
LGA    L    57_B      L    57_B    30.405     0    0.024   0.416    36.776    0.000    0.000
LGA    T    58_B      T    58_B    24.466     0    0.054   0.168    27.051    0.000    0.000
LGA    L    59_B      L    59_B    21.758     0    0.055   0.945    24.831    0.000    0.000
LGA    V    60_B      V    60_B    21.191     0    0.027   1.182    23.821    0.000    0.000
LGA    E    61_B      E    61_B    19.491     0    0.526   1.152    25.253    0.000    0.000
LGA    T    62_B      T    62_B    13.161     0    0.665   1.445    15.196    0.119    0.068
LGA    L    63_B      L    63_B    10.196     0    0.313   1.337    11.452    0.000    3.452
LGA    F    64_B      F    64_B    15.586     0    0.492   1.027    20.353    0.000    0.000
LGA    P    65_B      P    65_B    16.687     0    0.114   0.107    17.533    0.000    0.000
LGA    E    66_B      E    66_B    16.347     0    0.043   1.451    17.660    0.000    0.000
LGA    L    67_B      L    67_B    17.609     0    0.046   1.351    19.332    0.000    0.000
LGA    Y    68_B      Y    68_B    19.452     0    0.040   1.286    24.458    0.000    0.000
LGA    A    69_B      A    69_B    19.478     0    0.040   0.045    20.822    0.000    0.000
LGA    E    70_B      E    70_B    20.129     0    0.026   0.381    21.818    0.000    0.000
LGA    M    71_B      M    71_B    22.211     0    0.071   1.032    23.499    0.000    0.000
LGA    K    72_B      K    72_B    22.965     0    0.042   0.410    24.308    0.000    0.000
LGA    A    73_B      A    73_B    23.329     0    0.068   0.074    24.548    0.000    0.000
LGA    A    74_B      A    74_B    24.472     0    0.053   0.050    25.918    0.000    0.000
LGA    L    75_B      L    75_B    25.795     0    0.048   0.476    26.902    0.000    0.000
LGA    A    76_B      A    76_B    26.778     0    0.029   0.033    28.091    0.000    0.000
LGA    A    77_B      A    77_B    27.145     0    0.064   0.068    28.142    0.000    0.000
LGA    A    78_B      A    78_B    27.708     0    0.113   0.133    28.863    0.000    0.000
LGA    K    79_B      K    79_B    28.970     0    0.648   1.632    29.995    0.000    0.000
LGA    T    80_B      T    80_B    32.149     0    0.618   0.758    35.214    0.000    0.000
LGA    P    81_B      P    81_B    28.211     0    0.083   0.606    29.681    0.000    0.000
LGA    E    82_B      E    82_B    29.048     4    0.577   0.578    31.254    0.000    0.000
LGA    E    83_B      E    83_B    33.420     4    0.608   0.588    34.849    0.000    0.000
LGA    K    84_B      K    84_B    31.632     0    0.051   0.858    37.815    0.000    0.000
LGA    I    85_B      I    85_B    29.676     0    0.019   1.082    31.070    0.000    0.000
LGA    A    86_B      A    86_B    28.216     0    0.002   0.007    29.102    0.000    0.000
LGA    V    87_B      V    87_B    27.338     0    0.021   0.196    29.460    0.000    0.000
LGA    F    88_B      F    88_B    25.504     0    0.082   1.465    26.512    0.000    0.000
LGA    R    89_B      R    89_B    23.728     0    0.069   1.536    24.805    0.000    0.000
LGA    E    90_B      E    90_B    22.814     0    0.030   0.142    25.208    0.000    0.000
LGA    Y    91_B      Y    91_B    21.248     0    0.124   1.278    31.697    0.000    0.000
LGA    N    92_B      N    92_B    19.726     0    0.043   0.378    21.289    0.000    0.000
LGA    A    93_B      A    93_B    17.544     0    0.067   0.067    18.775    0.000    0.000
LGA    R    94_B      R    94_B    15.941     0    0.069   1.107    21.237    0.000    0.000
LGA    F    95_B      F    95_B    14.214     0    0.042   1.214    19.564    0.000    0.000
LGA    L    96_B      L    96_B    12.790     0    0.025   1.340    15.221    0.000    0.000
LGA    A    97_B      A    97_B    11.022     0    0.624   0.610    12.177    0.119    0.095
LGA    E    98_B      E    98_B     7.313     0    0.649   1.350    12.390   17.619    8.624
LGA    F    99_B      F    99_B     0.813     0    0.657   1.334     6.103   82.143   56.623
LGA    D   100_B      D   100_B     0.710     0    0.109   0.413     1.966   86.190   86.131
LGA    A   101_B      A   101_B     1.830     0    0.079   0.089     2.659   71.071   69.810
LGA    L   102_B      L   102_B     1.527     0    0.198   1.226     2.766   72.976   71.131
LGA    I   103_B      I   103_B     3.451     0    0.060   0.167     4.573   51.786   43.036
LGA    D   104_B      D   104_B     3.192     0    0.036   0.390     4.306   55.476   49.464
LGA    Q   105_B      Q   105_B     1.476     0    0.064   0.943     4.014   77.262   67.513
LGA    A   106_B      A   106_B     1.990     0    0.039   0.042     2.499   70.833   69.619
LGA    F   107_B      F   107_B     2.851     0    0.113   0.358     6.714   62.976   39.307
LGA    A   108_B      A   108_B     1.617     0    0.084   0.083     1.828   79.405   78.095
LGA    R   109_B      R   109_B     0.388     0    0.094   1.249     4.769   92.857   72.727
LGA    L   110_B      L   110_B     1.455     3    0.038   0.036     1.863   79.286   48.750
LGA    K   111_B      K   111_B     0.955     2    0.221   1.229     4.453   75.357   46.561
LGA    A   112_B      A   112_B     6.675     0    0.601   0.573     8.692   15.119   12.667
LGA    D   113_B      D   113_B     9.943     0    0.318   1.156    14.464    1.429    0.714
LGA    S   114_B      S   114_B     8.134     0    0.037   0.092     9.121    6.905    5.317
LGA    L   115_B      L   115_B     5.684     0    0.162   0.612     6.399   20.357   27.321
LGA    T   116_B      T   116_B     5.974     0    0.133   0.166     6.483   19.286   18.367
LGA    L   117_B      L   117_B     7.267     0    0.145   1.384    10.738    9.405    8.333
LGA    K   118_B      K   118_B     8.916     0    0.630   0.507    12.608    3.810    1.905
LGA    I   119_B      I   119_B     9.719     0    0.406   0.648    10.515    0.238    1.190
LGA    H   120_B      H   120_B    12.149     0    0.039   1.333    13.893    0.000    0.000
LGA    L   121_B      L   121_B    14.788     0    0.135   0.284    16.613    0.000    0.000
LGA    S   122_B      S   122_B    18.697     0    0.696   0.894    21.109    0.000    0.000
LGA    Q   123_B      Q   123_B    19.790     4    0.110   0.118    19.790    0.000    0.000
LGA    G   124_B      G   124_B    15.381     0    0.306   0.306    16.892    0.000    0.000
LGA    K   125_B      K   125_B    13.396     4    0.548   0.554    13.396    0.000    0.000
LGA    G   126_B      G   126_B    11.184     0    0.542   0.542    11.577    1.905    1.905
LGA    S   127_B      S   127_B    10.445     0    0.106   0.192    11.877    0.000    0.000
LGA    Y   128_B      Y   128_B     9.110     0    0.519   1.154     9.469    6.190   11.667
LGA    E   129_B      E   129_B     9.582     0    0.375   0.887    15.732    0.952    0.423
LGA    I   130_B      I   130_B     8.568     0    0.283   1.493     9.588    1.905    7.560
LGA    I   131_B      I   131_B     9.820     0    0.241   1.140    10.384    0.714    0.655
LGA    F   132_B      F   132_B    10.866     0    0.083   1.375    12.587    0.000    0.000
LGA    P   133_B      P   133_B    13.728     0    0.120   0.589    15.729    0.119    0.068
LGA    P   134_B      P   134_B    10.585     0    0.621   1.031    14.655    0.714    0.408
LGA    E   135_B      E   135_B     8.883     4    0.061   0.063    11.594    7.262    3.228
LGA    V   136_B      V   136_B     4.209     0    0.135   0.314     6.850   40.952   37.755
LGA    Q   137_B      Q   137_B     3.373     4    0.631   0.611     5.652   49.405   24.339
LGA    A   138_B      A   138_B     2.965     0    0.240   0.250     3.275   55.357   55.714
LGA    D   139_B      D   139_B     2.610     0    0.162   1.099     3.980   57.262   53.750
LGA    P   140_B      P   140_B     2.802     0    0.153   0.228     4.132   61.190   51.769
LGA    E   141_B      E   141_B     1.646     0    0.052   0.678     2.810   75.119   69.418
LGA    R   142_B      R   142_B     1.373     0    0.087   1.994    11.681   81.548   46.061
LGA    A   143_B      A   143_B     1.298     0    0.020   0.025     1.796   77.143   76.286
LGA    A   144_B      A   144_B     2.010     0    0.030   0.031     2.651   64.881   64.857
LGA    A   145_B      A   145_B     2.347     0    0.076   0.080     2.821   64.881   64.857
LGA    I   146_B      I   146_B     2.247     0    0.233   1.053     3.527   64.762   63.155
LGA    E   147_B      E   147_B     2.290     0    0.052   0.782     7.318   66.786   45.926
LGA    A   148_B      A   148_B     1.475     0    0.053   0.053     2.351   75.119   74.667
LGA    L   149_B      L   149_B     2.461     0    0.037   1.135     5.840   59.524   51.429
LGA    W   150_B      W   150_B     3.585     0    0.068   1.141     9.710   46.786   23.231
LGA    K   151_B      K   151_B     2.726     4    0.037   0.037     3.058   59.167   32.646
LGA    P   152_B      P   152_B     2.289     0    0.087   0.637     2.873   60.952   60.408
LGA    T   153_B      T   153_B     3.534     0    0.026   1.167     6.538   51.905   44.218
LGA    L   154_B      L   154_B     2.664     0    0.065   1.135     5.753   65.000   48.750
LGA    D   155_B      D   155_B     0.879     0    0.043   0.226     1.939   88.214   87.143
LGA    Q   156_B      Q   156_B     1.902     0    0.019   0.962     3.640   72.857   61.005
LGA    L   157_B      L   157_B     1.900     0    0.018   1.157     2.920   77.143   72.143
LGA    L   158_B      L   158_B     1.459     0    0.035   1.236     5.696   79.286   65.714
LGA    A   159_B      A   159_B     1.217     0    0.019   0.017     1.653   85.952   83.333
LGA    V   160_B      V   160_B     0.658     0    0.085   0.207     1.725   90.476   85.374
LGA    L   161_B      L   161_B     1.786     0    0.051   0.297     3.514   70.952   61.429
LGA    Q   162_B      Q   162_B     2.663     0    0.042   0.977     6.085   57.262   44.868
LGA    E   163_B      E   163_B     2.237     3    0.097   0.220     3.179   66.786   42.434
LGA    K   164_B      K   164_B     1.755     4    0.068   0.081     2.971   65.000   36.984
LGA    H   165_B      H   165_B     3.655     0    0.400   0.716     5.895   40.952   32.714
LGA    K   166_B      K   166_B     4.948     2    0.200   0.828     7.017   23.690   27.566
LGA    G   167_B      G   167_B    11.318     0    0.206   0.206    15.149    0.714    0.714
LGA    K   168_B      K   168_B    15.362     0    0.108   1.135    20.754    0.000    0.000
LGA    P   169_B      P   169_B    17.986     0    0.246   0.335    20.367    0.000    0.000
LGA    A   170_B      A   170_B    18.605     0    0.237   0.283    20.940    0.000    0.000
LGA    T   171_B      T   171_B    19.051     0    0.468   1.110    20.868    0.000    0.000
LGA    T   172_B      T   172_B    19.043     0    0.235   0.943    21.703    0.000    0.000
LGA    V   173_B      V   173_B    17.977     0    0.087   1.203    19.310    0.000    0.000
LGA    T   174_B      T   174_B    20.955     0    0.300   0.949    24.644    0.000    0.000
LGA    Y   175_B      Y   175_B    21.838     0    0.397   1.133    24.923    0.000    0.000
LGA    E   176_B      E   176_B    26.796     0    0.218   1.229    33.488    0.000    0.000
LGA    I   177_B      I   177_B    25.977     0    0.267   1.119    27.574    0.000    0.000
LGA    S   178_B      S   178_B    28.529     0    0.673   0.588    29.776    0.000    0.000
LGA    A   179_B      A   179_B    29.050     0    0.137   0.135    30.759    0.000    0.000
LGA    E   180_B      E   180_B    29.890     0    0.082   0.838    31.798    0.000    0.000
LGA    T   181_B      T   181_B    24.782     0    0.076   1.146    26.717    0.000    0.000
LGA    L   182_B      L   182_B    22.643     0    0.045   0.297    23.774    0.000    0.000
LGA    R   183_B      R   183_B    25.843     0    0.066   1.238    33.952    0.000    0.000
LGA    A   184_B      A   184_B    24.683     0    0.036   0.036    25.204    0.000    0.000
LGA    A   185_B      A   185_B    19.223     0    0.044   0.041    21.243    0.000    0.000
LGA    V   186_B      V   186_B    20.299     0    0.056   1.144    22.208    0.000    0.000
LGA    A   187_B      A   187_B    24.524     0    0.045   0.042    26.291    0.000    0.000
LGA    A   188_B      A   188_B    21.328     0    0.042   0.041    22.213    0.000    0.000
LGA    L   189_B      L   189_B    18.012     0    0.074   0.646    19.486    0.000    0.000
LGA    A   190_B      A   190_B    22.313     0    0.052   0.062    24.439    0.000    0.000
LGA    R   191_B      R   191_B    25.694     0    0.037   1.205    29.346    0.000    0.000
LGA    A   192_B      A   192_B    22.311     0    0.054   0.056    23.503    0.000    0.000
LGA    A   193_B      A   193_B    22.069     0    0.013   0.017    25.251    0.000    0.000
LGA    E   194_B      E   194_B    28.092     0    0.025   0.968    33.405    0.000    0.000
LGA    A   195_B      A   195_B    29.636     0    0.032   0.034    31.202    0.000    0.000
LGA    A   196_B      A   196_B    27.429     0    0.022   0.024    30.222    0.000    0.000
LGA    L   197_B      L   197_B    30.073     0    0.028   1.322    33.862    0.000    0.000
LGA    R   198_B      R   198_B    35.602     0    0.025   1.020    38.819    0.000    0.000
LGA    R   199_B      R   199_B    35.770     0    0.031   0.888    37.943    0.000    0.000
LGA    K   200_B      K   200_B    35.212     0    0.036   0.760    38.603    0.000    0.000
LGA    V   201_B      V   201_B    39.419     0    0.073   1.295    43.074    0.000    0.000
LGA    G   202_B      G   202_B    43.579     0    0.221   0.221    46.143    0.000    0.000
LGA    S   203_B      S   203_B    43.699     1    0.222   0.333    43.699    0.000    0.000
LGA    L   204_B      L   204_B    44.446     3    0.227   0.240    46.244    0.000    0.000
LGA    E   205_B      E   205_B    40.395     4    0.385   0.364    41.840    0.000    0.000
LGA    S   206_B      S   206_B    38.846     1    0.677   0.612    40.786    0.000    0.000
LGA    S   207_B      S   207_B    35.755     0    0.045   0.622    37.137    0.000    0.000
LGA    G   208_B      G   208_B    32.317     0    0.587   0.587    33.435    0.000    0.000
LGA    L   209_B      L   209_B    28.347     3    0.250   0.252    29.703    0.000    0.000
LGA    E   210_B      E   210_B    27.622     4    0.521   0.485    28.886    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):    19.924         19.871                 20.028           15.031   12.852

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     43    2.29    18.961    16.491     1.802

LGA_LOCAL      RMSD:   2.286  Number of atoms:   43  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.373  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  19.924  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.188776 * X  +   0.806650 * Y  +  -0.560071 * Z  + -31.089708
  Y_new =   0.981735 * X  +   0.168761 * Y  +  -0.087841 * Z  + -17.713207
  Z_new =   0.023661 * X  +  -0.566423 * Y  +  -0.823775 * Z  +  52.656330 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.760766 -0.023663 -2.539241   [DEG:  100.8845   -1.3558 -145.4878 ]
ZXZ: -1.415224  2.538834  3.099844   [DEG:  -81.0864  145.4645  177.6080 ]
 
# END of job
