
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  214 ( 1657),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1517),  selected  207 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52      66_B - 117_B       4.95    20.93
  LCS_AVERAGE:     19.53

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28     140_B - 167_B       1.94    27.81
  LONGEST_CONTINUOUS_SEGMENT:    28     174_B - 201_B       1.67    25.17
  LONGEST_CONTINUOUS_SEGMENT:    28     175_B - 202_B       1.86    25.10
  LCS_AVERAGE:      8.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26     176_B - 201_B       0.80    25.24
  LCS_AVERAGE:      6.52

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      0    3    3   19   21   21   22   23   24   25   27   29   34   36   41   45   51   61   65   67 
LCS_GDT     D     5_B     D     5_B      3    5   22      1    3    4   19   21   21   22   23   24   25   27   30   36   38   41   45   52   61   68   71 
LCS_GDT     F     6_B     F     6_B      3    5   25      3    3    4   12   21   21   22   23   25   28   31   39   42   49   52   57   64   74   78   83 
LCS_GDT     T     7_B     T     7_B      3   10   25      3    3    4    7   14   18   28   29   33   35   38   43   47   51   56   62   69   74   78   83 
LCS_GDT     G     8_B     G     8_B      8   10   25      5    7   18   22   25   27   28   29   35   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     A     9_B     A     9_B      8   10   25      5    7    9   22   25   27   28   29   35   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     R    10_B     R    10_B      8   10   25      3    7    9   22   25   27   28   29   35   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     E    11_B     E    11_B      8   10   25      5   14   19   22   25   27   28   29   35   40   44   47   51   55   58   61   69   74   78   83 
LCS_GDT     R    12_B     R    12_B      8   10   25      5   14   19   22   25   27   28   29   35   40   44   47   51   55   58   60   68   74   78   83 
LCS_GDT     F    13_B     F    13_B      8   10   25      5    7   19   22   25   27   28   29   35   40   44   47   51   55   58   61   69   74   78   83 
LCS_GDT     L    14_B     L    14_B      8   10   25      4   13   19   22   25   27   28   29   34   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     A    15_B     A    15_B      8   10   25      4    5    9   11   14   22   24   29   35   40   44   47   51   55   58   60   68   73   77   83 
LCS_GDT     G    16_B     G    16_B      5   10   25      4    5    9   14   18   22   24   29   35   40   44   47   51   55   58   60   64   69   77   82 
LCS_GDT     D    17_B     D    17_B      4    4   25      4    4    4    8   10   16   20   26   32   37   41   45   51   55   58   60   68   74   78   83 
LCS_GDT     V    18_B     V    18_B      4    4   25      4    4    5    9   13   21   24   29   35   40   44   47   51   55   58   60   68   74   78   83 
LCS_GDT     T    19_B     T    19_B      4    4   25      4    4    4    5    8   11   14   25   26   30   36   42   45   48   52   56   60   65   70   75 
LCS_GDT     I    20_B     I    20_B      3    4   25      3    3    4    5    8   11   20   25   28   29   34   35   45   47   52   57   64   74   78   83 
LCS_GDT     V    21_B     V    21_B      3    4   25      3    3    4    5    8   11   14   17   23   29   34   42   45   46   52   56   59   63   72   76 
LCS_GDT     L    22_B     L    22_B      3    4   25      3    6    6    7    8   10   11   25   28   29   29   31   36   40   47   51   56   61   65   71 
LCS_GDT     L    23_B     L    23_B      3    4   25      3    3    3    5    7    7    9   20   28   29   29   31   32   33   36   38   42   45   51   56 
LCS_GDT     I    24_B     I    24_B      3    4   25      1    6    6    7    8   10   11   14   16   19   21   23   29   30   36   38   44   49   55   59 
LCS_GDT     A    25_B     A    25_B      3    4   25      3    3    4    4    8    8    9   13   15   19   21   23   29   30   32   38   44   47   51   55 
LCS_GDT     E    26_B     E    26_B      3    4   25      3    3    4    4    8    8    9   14   16   19   21   23   29   30   32   36   39   39   42   45 
LCS_GDT     S    27_B     S    27_B      5    7   25      3    4    5    5    8   10   11   13   16   19   21   23   29   30   32   36   39   39   42   45 
LCS_GDT     H    28_B     H    28_B      5    7   25      3    6    6    7    8   10   11   14   16   19   21   23   29   30   32   35   38   39   42   45 
LCS_GDT     D    29_B     D    29_B      5    7   25      4    6    6    7    8   10   11   14   16   19   21   23   29   30   32   35   38   39   42   45 
LCS_GDT     A    30_B     A    30_B      5    7   25      4    6    6    7    8   10   11   14   16   19   21   23   29   30   32   35   38   39   44   49 
LCS_GDT     P    31_B     P    31_B      5    7   42      4    6    6    7    8   10   11   14   16   19   21   23   29   30   32   35   38   43   49   55 
LCS_GDT     Y    32_B     Y    32_B      4    7   48      4    4    4    5    6   10   11   14   16   23   28   38   43   48   52   56   58   59   63   67 
LCS_GDT     R    33_B     R    33_B      4    7   48      4    4    6   10   14   17   22   25   28   35   40   46   49   50   52   56   58   62   64   67 
LCS_GDT     L    34_B     L    34_B      4    8   48      4    4    4    5   10   10   12   17   21   25   29   32   43   50   52   56   58   60   63   66 
LCS_GDT     A    35_B     A    35_B      4    8   48      3    4    5    6   10   10   12   15   16   18   19   20   21   24   30   33   40   46   61   62 
LCS_GDT     N    36_B     N    36_B      4    8   48      3    4    5    6   10   10   12   19   35   38   43   46   49   50   53   56   58   60   63   67 
LCS_GDT     P    37_B     P    37_B      4    8   48      3    4    6   12   20   24   27   31   35   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     E    38_B     E    38_B      4    8   48      3    4    7   12   18   23   30   34   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     D    39_B     D    39_B      4    8   48      3    3    7   12   18   24   30   34   36   38   43   45   49   50   53   56   58   62   64   67 
LCS_GDT     P    40_B     P    40_B      4    8   48      4    4    7   12   18   24   30   34   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     E    41_B     E    41_B      4    8   48      4    4    5    6    8   10   12   20   22   24   35   39   42   44   50   51   53   57   59   62 
LCS_GDT     A    42_B     A    42_B      5    5   48      4    5    5    5    7    9   14   21   23   33   36   39   42   44   50   51   53   57   59   62 
LCS_GDT     D    43_B     D    43_B      5   21   48      4    5    8   14   18   24   30   34   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     L    44_B     L    44_B      5   21   48      4    5    5    8   18   24   30   34   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     S    45_B     S    45_B     18   21   48      7   17   18   19   21   24   30   34   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     D    46_B     D    46_B     18   21   48     14   17   18   19   21   23   29   33   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     E    47_B     E    47_B     18   21   48     14   17   18   19   21   23   29   33   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     Q    48_B     Q    48_B     18   21   48     14   17   18   19   21   24   30   34   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     L    49_B     L    49_B     18   21   48     14   17   18   19   21   24   30   34   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     E    50_B     E    50_B     18   21   48     14   17   18   19   21   24   30   34   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     R    51_B     R    51_B     18   21   48     14   17   18   19   21   24   30   34   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     A    52_B     A    52_B     18   21   48     14   17   18   19   21   24   30   34   36   38   43   46   49   50   53   56   59   63   66   70 
LCS_GDT     L    53_B     L    53_B     18   21   48     14   17   18   19   21   24   30   34   36   38   43   46   49   50   53   57   60   65   71   75 
LCS_GDT     A    54_B     A    54_B     18   21   48     14   17   18   19   21   24   30   34   36   38   43   46   49   50   53   57   61   66   71   79 
LCS_GDT     A    55_B     A    55_B     18   21   48     14   17   18   19   21   24   30   34   36   38   43   46   49   50   53   57   61   72   77   83 
LCS_GDT     Y    56_B     Y    56_B     18   21   48     14   17   18   19   21   24   28   34   36   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     L    57_B     L    57_B     18   21   48     14   17   18   19   21   24   30   34   36   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     T    58_B     T    58_B     18   21   48     14   17   18   19   21   24   30   34   36   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     L    59_B     L    59_B     18   21   48     14   17   18   20   23   27   28   30   35   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     V    60_B     V    60_B     18   21   48     12   17   18   19   21   23   26   29   35   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     E    61_B     E    61_B     18   21   48      9   17   18   18   21   24   30   34   36   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     T    62_B     T    62_B     18   21   48      4    8   18   18   21   24   30   34   36   40   44   47   51   55   58   60   69   74   78   83 
LCS_GDT     L    63_B     L    63_B      4   21   48      3    4    6   12   20   24   30   34   36   38   44   47   50   53   58   59   62   66   72   80 
LCS_GDT     F    64_B     F    64_B     16   20   48      4    7   12   16   21   24   30   34   36   38   43   46   49   50   53   56   59   65   68   69 
LCS_GDT     P    65_B     P    65_B     16   20   51     11   14   14   19   21   24   30   34   36   38   43   47   49   53   56   59   62   66   71   76 
LCS_GDT     E    66_B     E    66_B     16   20   52     11   14   14   16   21   24   30   34   36   38   43   47   49   53   58   59   62   66   70   76 
LCS_GDT     L    67_B     L    67_B     16   20   52     11   14   14   16   21   24   30   34   36   38   43   47   51   55   58   59   63   69   74   80 
LCS_GDT     Y    68_B     Y    68_B     16   20   52     11   14   14   16   21   24   30   34   36   38   44   47   51   55   58   60   67   73   78   83 
LCS_GDT     A    69_B     A    69_B     16   20   52     11   14   14   16   21   24   30   34   36   40   44   47   51   55   58   60   65   73   77   82 
LCS_GDT     E    70_B     E    70_B     16   20   52     11   14   14   16   21   24   30   34   36   40   44   47   51   55   58   61   69   74   78   83 
LCS_GDT     M    71_B     M    71_B     16   20   52     11   14   14   16   21   24   30   34   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     K    72_B     K    72_B     16   20   52     11   14   14   16   21   24   30   35   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     A    73_B     A    73_B     16   20   52     11   14   14   16   21   24   30   35   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     A    74_B     A    74_B     16   20   52     11   14   14   17   22   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     L    75_B     L    75_B     16   20   52     11   14   14   17   22   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     A    76_B     A    76_B     16   20   52     11   14   14   16   21   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     A    77_B     A    77_B     16   20   52     11   14   14   16   21   24   27   34   38   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     A    78_B     A    78_B     16   20   52     11   14   14   16   21   24   30   34   36   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     K    79_B     K    79_B     16   20   52      3    4    6   15   20   24   27   30   35   40   44   47   51   55   58   60   66   71   77   83 
LCS_GDT     T    80_B     T    80_B      3   24   52      3    4    6   10   16   21   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     P    81_B     P    81_B     20   26   52     12   16   19   22   25   27   32   36   39   40   41   44   49   55   58   62   69   74   78   83 
LCS_GDT     E    82_B     E    82_B     20   26   52     12   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     E    83_B     E    83_B     20   26   52     12   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     K    84_B     K    84_B     20   26   52     12   16   19   22   25   27   31   36   39   40   43   47   51   55   58   62   69   74   78   83 
LCS_GDT     I    85_B     I    85_B     20   27   52     12   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     A    86_B     A    86_B     20   27   52     12   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     V    87_B     V    87_B     20   27   52     12   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     F    88_B     F    88_B     20   27   52     12   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     R    89_B     R    89_B     20   27   52     12   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     E    90_B     E    90_B     20   27   52     12   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     Y    91_B     Y    91_B     20   27   52     12   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     N    92_B     N    92_B     20   27   52     12   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     A    93_B     A    93_B     20   27   52      7   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     R    94_B     R    94_B     20   27   52     12   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     F    95_B     F    95_B     20   27   52      8   16   19   22   25   27   32   36   39   40   44   47   51   55   58   62   69   74   78   83 
LCS_GDT     L    96_B     L    96_B     20   27   52      7   16   19   22   25   27   32   36   39   40   43   47   51   55   58   62   69   74   78   83 
LCS_GDT     A    97_B     A    97_B     20   27   52      7   16   19   21   25   27   32   36   39   40   43   46   50   55   58   62   69   74   78   83 
LCS_GDT     E    98_B     E    98_B     20   27   52      7   16   19   21   25   27   32   36   39   40   43   46   49   55   58   62   69   74   78   83 
LCS_GDT     F    99_B     F    99_B     20   27   52      7   16   19   21   23   27   32   36   39   40   43   46   51   55   58   62   69   74   78   83 
LCS_GDT     D   100_B     D   100_B     20   27   52      5   13   18   21   23   27   32   36   39   40   41   43   48   52   56   62   69   74   78   83 
LCS_GDT     A   101_B     A   101_B     18   27   52      8   14   18   21   23   27   32   36   39   40   41   43   47   52   56   62   69   74   78   83 
LCS_GDT     L   102_B     L   102_B     18   27   52      8   14   18   20   23   27   32   36   39   40   41   43   46   52   56   62   69   74   78   83 
LCS_GDT     I   103_B     I   103_B     18   27   52      8   14   18   20   23   27   32   36   39   40   41   43   46   52   56   62   69   74   78   83 
LCS_GDT     D   104_B     D   104_B     18   27   52      8   14   18   20   23   27   32   36   39   40   41   43   45   50   56   62   69   74   78   83 
LCS_GDT     Q   105_B     Q   105_B     18   27   52      8   14   18   20   23   27   32   36   39   40   41   43   45   49   56   62   69   74   78   83 
LCS_GDT     A   106_B     A   106_B     18   27   52      5   14   18   20   23   27   32   36   39   40   41   43   45   48   56   62   69   74   78   83 
LCS_GDT     F   107_B     F   107_B     18   27   52      6   14   18   20   23   27   32   36   39   40   41   43   45   47   56   62   69   74   78   83 
LCS_GDT     A   108_B     A   108_B     18   27   52      8   14   18   20   23   26   31   36   39   40   41   43   45   47   56   62   69   74   78   83 
LCS_GDT     R   109_B     R   109_B     18   27   52      8   14   18   20   23   26   31   36   39   40   41   43   45   47   53   62   69   74   78   83 
LCS_GDT     L   110_B     L   110_B     18   27   52      8   14   18   20   23   27   32   36   39   40   41   43   45   47   51   62   69   74   78   83 
LCS_GDT     K   111_B     K   111_B     18   27   52      8   14   18   20   22   26   31   36   39   40   41   42   45   47   51   62   68   74   78   83 
LCS_GDT     A   112_B     A   112_B      3   25   52      3    3    4    6   13   22   32   36   39   40   41   43   45   48   56   62   69   74   78   83 
LCS_GDT     D   113_B     D   113_B      3    4   52      3    4    5    5    5    5    7   13   32   36   40   43   46   52   56   62   69   74   78   83 
LCS_GDT     S   114_B     S   114_B      3   10   52      3    4    5    7    9   12   13   14   20   34   41   43   45   48   56   62   68   74   78   83 
LCS_GDT     L   115_B     L   115_B      3   10   52      3    3    5    8   13   21   26   31   34   39   41   43   45   49   56   62   69   74   78   83 
LCS_GDT     T   116_B     T   116_B      6   10   52      3    3    7   10   13   19   22   25   28   31   37   41   47   55   58   62   69   74   78   83 
LCS_GDT     L   117_B     L   117_B      6   10   52      3    3    7    8   11   19   21   22   27   31   37   44   51   55   58   62   69   74   78   83 
LCS_GDT     K   118_B     K   118_B      6   10   51      4    6    7    8   12   16   24   29   34   38   41   45   51   55   58   60   69   74   78   83 
LCS_GDT     I   119_B     I   119_B      6   10   50      4    6    7    8    9   15   20   25   32   38   41   45   51   55   58   60   64   69   77   83 
LCS_GDT     H   120_B     H   120_B      6   10   44      4    6    7    8    9   12   13   14   18   24   39   42   45   52   58   59   63   66   72   83 
LCS_GDT     L   121_B     L   121_B      6   10   43      4    6    7    8    9   12   13   14   16   16   23   25   31   39   52   55   59   65   68   74 
LCS_GDT     S   122_B     S   122_B      6   10   43      3    6    7    8    9   12   13   14   16   16   17   20   26   33   41   47   57   62   65   69 
LCS_GDT     Q   123_B     Q   123_B      6   10   20      3    6    6    8    9   12   13   14   16   16   16   18   23   28   31   34   35   36   54   63 
LCS_GDT     G   124_B     G   124_B      4   10   22      3    4    4    6    9   12   13   14   16   16   18   21   28   39   46   50   55   60   68   75 
LCS_GDT     K   125_B     K   125_B      4    5   22      3    4    4    4    5    9   13   14   17   18   20   33   39   43   49   58   69   74   78   83 
LCS_GDT     G   126_B     G   126_B      4    7   22      3    4    4    6   10   10   11   13   22   28   35   39   43   45   49   58   66   74   78   83 
LCS_GDT     S   127_B     S   127_B      4    8   22      1    4    4    6   10   10   18   27   29   32   35   39   43   46   56   61   69   74   78   83 
LCS_GDT     Y   128_B     Y   128_B      4    8   22      1    4    4    6   10   10   18   27   29   32   35   39   43   50   56   62   69   74   78   83 
LCS_GDT     E   129_B     E   129_B      6    8   22      3    6    6    6   10   10   18   27   29   32   35   39   43   49   56   62   69   74   78   83 
LCS_GDT     I   130_B     I   130_B      6    8   27      3    6    6    6   22   24   25   27   29   33   36   41   45   51   56   62   69   74   78   83 
LCS_GDT     I   131_B     I   131_B      6    8   27      3    6    6    6   10   10   15   27   29   32   35   39   43   47   56   62   69   74   78   83 
LCS_GDT     F   132_B     F   132_B      6    8   27      3    6    6    6   10   10   16   27   29   32   35   39   43   47   56   62   69   74   78   83 
LCS_GDT     P   133_B     P   133_B      6    8   28      4    6    6    6    8   11   14   16   29   32   35   38   43   45   52   59   69   74   78   83 
LCS_GDT     P   134_B     P   134_B      6    8   28      4    6    6    6    8   11   14   16   17   30   35   36   40   45   48   51   66   74   78   83 
LCS_GDT     E   135_B     E   135_B      4    7   28      4    4    4    6    8   11   14   16   17   19   22   24   29   35   43   49   52   57   61   67 
LCS_GDT     V   136_B     V   136_B      4    7   35      4    4    4    6    8   11   14   16   17   19   22   24   29   33   41   49   52   57   61   69 
LCS_GDT     Q   137_B     Q   137_B      4    7   36      3    4    5    6    8   11   14   16   17   19   22   24   29   30   34   38   44   47   51   55 
LCS_GDT     A   138_B     A   138_B      4    7   36      3    4    5    6    8   11   14   16   17   20   25   27   32   34   38   40   44   47   51   55 
LCS_GDT     D   139_B     D   139_B      4    7   36      3    4    5    6    9   12   16   22   27   30   30   33   33   35   39   41   44   47   51   55 
LCS_GDT     P   140_B     P   140_B      4   28   36      3    4    5    7   14   20   27   28   31   32   33   34   35   35   39   41   44   47   51   55 
LCS_GDT     E   141_B     E   141_B     19   28   36      8   15   20   26   26   26   27   28   31   32   33   34   35   35   38   41   42   44   46   51 
LCS_GDT     R   142_B     R   142_B     19   28   36      8   15   20   26   26   26   27   28   31   32   33   34   35   35   39   41   42   45   49   55 
LCS_GDT     A   143_B     A   143_B     19   28   36      8   15   20   26   26   26   27   28   31   32   33   34   35   35   39   41   42   44   49   55 
LCS_GDT     A   144_B     A   144_B     19   28   36      8   15   20   26   26   26   27   28   31   32   33   34   35   35   39   41   42   44   46   55 
LCS_GDT     A   145_B     A   145_B     19   28   36      8   15   20   26   26   26   27   28   31   32   33   34   35   35   39   41   44   47   51   55 
LCS_GDT     I   146_B     I   146_B     19   28   36      8   15   19   26   26   26   27   28   31   32   33   34   35   35   39   41   44   47   51   55 
LCS_GDT     E   147_B     E   147_B     20   28   36      8   15   20   26   26   26   27   28   31   32   33   34   35   35   39   41   44   47   51   55 
LCS_GDT     A   148_B     A   148_B     20   28   36      8   15   20   26   26   26   27   28   31   32   33   34   35   35   39   41   44   47   51   55 
LCS_GDT     L   149_B     L   149_B     20   28   36      3   15   20   26   26   26   27   28   31   32   33   34   35   35   39   41   44   47   51   55 
LCS_GDT     W   150_B     W   150_B     20   28   36      6   16   20   26   26   26   27   28   31   32   33   34   35   35   39   41   44   47   51   55 
LCS_GDT     K   151_B     K   151_B     20   28   36      8   16   20   26   26   26   27   28   31   32   33   34   35   35   39   41   44   47   51   55 
LCS_GDT     P   152_B     P   152_B     20   28   36      8   16   20   26   26   26   27   28   31   32   33   34   35   35   39   41   44   47   51   55 
LCS_GDT     T   153_B     T   153_B     20   28   36      8   16   20   26   26   26   27   28   31   32   33   34   35   35   39   42   44   47   53   55 
LCS_GDT     L   154_B     L   154_B     20   28   36      8   16   20   26   26   26   27   28   31   32   33   34   36   37   39   42   44   47   51   55 
LCS_GDT     D   155_B     D   155_B     20   28   36      8   16   20   26   26   26   27   28   31   32   33   34   35   35   39   41   44   47   51   55 
LCS_GDT     Q   156_B     Q   156_B     20   28   36     10   16   20   26   26   26   27   28   31   32   33   34   35   35   39   41   44   47   51   55 
LCS_GDT     L   157_B     L   157_B     20   28   36     10   16   20   26   26   26   30   31   32   33   36   38   40   41   42   44   47   49   51   55 
LCS_GDT     L   158_B     L   158_B     20   28   36     10   16   20   26   26   26   28   28   32   33   34   36   39   41   42   44   47   49   51   55 
LCS_GDT     A   159_B     A   159_B     20   28   36     10   16   20   26   26   26   27   28   31   32   33   34   37   38   41   43   47   48   51   55 
LCS_GDT     V   160_B     V   160_B     20   28   36     10   16   20   26   26   26   27   28   31   32   35   38   40   41   42   44   47   49   51   55 
LCS_GDT     L   161_B     L   161_B     20   28   36     10   16   20   26   26   26   30   31   32   33   36   38   40   41   42   44   47   49   51   55 
LCS_GDT     Q   162_B     Q   162_B     20   28   36     10   16   20   26   26   26   30   31   32   33   36   38   40   41   42   44   47   49   51   55 
LCS_GDT     E   163_B     E   163_B     20   28   36     10   16   20   26   26   26   27   28   31   32   33   36   38   40   42   44   47   49   51   55 
LCS_GDT     K   164_B     K   164_B     20   28   36     10   16   20   26   26   26   27   28   31   32   33   34   35   35   42   44   47   49   51   55 
LCS_GDT     H   165_B     H   165_B     20   28   38     10   16   20   26   26   26   27   28   31   32   36   38   40   41   42   44   47   49   51   55 
LCS_GDT     K   166_B     K   166_B     20   28   38      3   11   20   26   26   26   27   28   31   32   35   38   40   41   42   44   47   49   51   55 
LCS_GDT     G   167_B     G   167_B      4   28   38      3    3    5    6   12   19   27   30   32   33   36   38   40   41   42   44   47   49   51   55 
LCS_GDT     K   168_B     K   168_B      4    7   38      3    3    5    6    9   28   30   31   32   33   36   38   40   41   42   44   47   49   51   55 
LCS_GDT     P   169_B     P   169_B      4    7   38      3    3    4    6    7    7   11   13   16   20   32   35   39   39   40   43   46   47   51   55 
LCS_GDT     A   170_B     A   170_B      4    9   38      3    3    5    6    7    9   11   14   16   18   23   27   33   35   39   42   44   47   51   55 
LCS_GDT     T   171_B     T   171_B      5   12   38      3    4    5    8   10   12   13   15   16   18   21   25   28   33   39   42   43   47   51   55 
LCS_GDT     T   172_B     T   172_B      7   12   38      3    4    7    8   11   12   13   15   17   20   23   27   34   36   39   42   43   47   50   55 
LCS_GDT     V   173_B     V   173_B      7   12   38      3    4    7    8   11   12   13   15   17   20   25   28   34   39   40   42   46   51   58   61 
LCS_GDT     T   174_B     T   174_B      7   28   38      3    4    7    8   11   12   14   18   23   30   34   36   39   39   40   43   47   49   51   53 
LCS_GDT     Y   175_B     Y   175_B      7   28   38      3    4    7    8   25   28   30   31   32   33   36   38   40   41   42   44   47   49   51   54 
LCS_GDT     E   176_B     E   176_B     26   28   38      5   21   25   26   26   28   30   31   32   33   36   38   39   41   42   44   47   49   51   54 
LCS_GDT     I   177_B     I   177_B     26   28   38      3   17   25   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   51   54 
LCS_GDT     S   178_B     S   178_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   51   54 
LCS_GDT     A   179_B     A   179_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   51   54 
LCS_GDT     E   180_B     E   180_B     26   28   38     11   22   25   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   51   54 
LCS_GDT     T   181_B     T   181_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   54   59 
LCS_GDT     L   182_B     L   182_B     26   28   38     11   22   25   26   26   28   30   31   32   33   36   38   40   42   45   51   54   56   62   64 
LCS_GDT     R   183_B     R   183_B     26   28   38     11   22   25   26   26   28   30   31   32   33   36   38   40   41   42   51   54   56   62   64 
LCS_GDT     A   184_B     A   184_B     26   28   38      7   22   25   26   26   28   30   31   32   33   36   38   40   42   45   51   54   56   62   64 
LCS_GDT     A   185_B     A   185_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   40   46   51   55   57   63   72   77   83 
LCS_GDT     V   186_B     V   186_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   42   47   51   55   57   64   73   78   83 
LCS_GDT     A   187_B     A   187_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   38   40   44   48   51   56   58   62   64 
LCS_GDT     A   188_B     A   188_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   41   46   51   55   56   59   63   68   78 
LCS_GDT     L   189_B     L   189_B     26   28   38     14   22   25   26   26   28   30   31   34   37   39   45   50   53   56   61   69   74   78   83 
LCS_GDT     A   190_B     A   190_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   38   42   44   50   53   56   61   64   75 
LCS_GDT     R   191_B     R   191_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   38   40   44   47   50   51   58   60   63 
LCS_GDT     A   192_B     A   192_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   38   42   45   50   53   58   65   70   75 
LCS_GDT     A   193_B     A   193_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   38   40   41   42   44   50   56   60   66 
LCS_GDT     E   194_B     E   194_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   51   54 
LCS_GDT     A   195_B     A   195_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   51   54 
LCS_GDT     A   196_B     A   196_B     26   28   38     14   22   25   26   26   28   30   31   32   33   36   38   40   41   42   44   48   51   60   65 
LCS_GDT     L   197_B     L   197_B     26   28   38      9   22   25   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   51   65 
LCS_GDT     R   198_B     R   198_B     26   28   38     13   22   25   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   51   54 
LCS_GDT     R   199_B     R   199_B     26   28   38      7   22   25   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   51   65 
LCS_GDT     K   200_B     K   200_B     26   28   38      4   20   25   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   51   54 
LCS_GDT     V   201_B     V   201_B     26   28   38      2   15   24   26   26   28   30   31   32   33   36   38   40   41   42   44   47   49   51   54 
LCS_GDT     G   202_B     G   202_B      3   28   38      2    3    3    4    6    9   14   21   25   32   36   38   40   41   46   51   56   62   64   67 
LCS_GDT     S   203_B     S   203_B      5    6   38      3    5    5    5    6    9   13   20   27   32   42   43   47   50   53   55   58   62   64   67 
LCS_GDT     L   204_B     L   204_B      5    6   36      3    5    5   11   18   24   30   34   36   38   43   46   49   50   53   56   58   62   64   67 
LCS_GDT     E   205_B     E   205_B      5    6   36      3    5    5    5    6    9   10   14   16   37   42   44   47   50   53   56   58   62   64   67 
LCS_GDT     S   206_B     S   206_B      5    6   36      3    5    5    5    6    6    8   13   18   23   31   38   41   50   53   54   57   62   64   67 
LCS_GDT     S   207_B     S   207_B      5    6   36      3    5    5    5    8    8   11   15   18   23   26   29   41   45   53   54   56   62   64   67 
LCS_GDT     G   208_B     G   208_B      3    6   36      3    3    3    4    8    9   13   16   21   25   28   30   31   44   48   54   56   62   64   67 
LCS_GDT     L   209_B     L   209_B      3    4   36      3    3    3    4    8    8   11   15   19   23   28   30   31   33   37   43   55   62   64   67 
LCS_GDT     E   210_B     E   210_B      3    4   36      3    3    3    3    4    8   12   16   21   26   28   30   31   39   41   48   49   55   57   66 
LCS_AVERAGE  LCS_A:  11.67  (   6.52    8.96   19.53 )

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     26     28     32     36     39     40     44     47     51     55     58     62     69     74     78     83 
GDT PERCENT_AT   6.76  10.63  12.08  12.56  12.56  13.53  15.46  17.39  18.84  19.32  21.26  22.71  24.64  26.57  28.02  29.95  33.33  35.75  37.68  40.10
GDT RMS_LOCAL    0.30   0.54   0.69   0.80   0.80   1.34   2.36   2.52   2.76   2.84   3.74   3.93   4.17   4.48   4.67   5.76   6.13   6.35   6.64   6.92
GDT RMS_ALL_AT  27.23  25.28  25.30  25.24  25.24  25.20  22.89  23.19  22.96  23.08  19.46  19.38  19.37  19.18  19.22  19.16  19.03  18.99  18.95  18.97

# Checking swapping
#   possible swapping detected:  D    17_B      D    17_B
#   possible swapping detected:  D    29_B      D    29_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    61_B      E    61_B
#   possible swapping detected:  E    70_B      E    70_B
#   possible swapping detected:  Y    91_B      Y    91_B
#   possible swapping detected:  E    98_B      E    98_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:  F   132_B      F   132_B
#   possible swapping detected:  E   141_B      E   141_B
#   possible swapping detected:  D   155_B      D   155_B
#   possible swapping detected:  Y   175_B      Y   175_B
#   possible swapping detected:  E   176_B      E   176_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    35.475     0    0.622   0.637    38.603    0.000    0.000
LGA    D     5_B      D     5_B    33.466     3    0.565   0.550    35.209    0.000    0.000
LGA    F     6_B      F     6_B    27.230     0    0.182   1.586    29.178    0.000    0.000
LGA    T     7_B      T     7_B    25.970     0    0.377   1.078    30.042    0.000    0.000
LGA    G     8_B      G     8_B    21.139     0    0.684   0.684    22.276    0.000    0.000
LGA    A     9_B      A     9_B    19.329     0    0.123   0.123    19.871    0.000    0.000
LGA    R    10_B      R    10_B    16.097     6    0.284   0.305    17.566    0.000    0.000
LGA    E    11_B      E    11_B    18.628     0    0.056   1.495    22.259    0.000    0.000
LGA    R    12_B      R    12_B    20.333     0    0.085   1.246    21.542    0.000    0.000
LGA    F    13_B      F    13_B    17.348     0    0.608   1.505    19.222    0.000    0.000
LGA    L    14_B      L    14_B    14.622     3    0.117   0.120    16.338    0.000    0.000
LGA    A    15_B      A    15_B    19.771     0    0.052   0.050    21.991    0.000    0.000
LGA    G    16_B      G    16_B    21.419     0    0.175   0.175    23.224    0.000    0.000
LGA    D    17_B      D    17_B    21.699     0    0.106   0.240    25.223    0.000    0.000
LGA    V    18_B      V    18_B    18.981     0    0.130   1.145    21.060    0.000    0.000
LGA    T    19_B      T    19_B    23.142     0    0.349   1.145    24.849    0.000    0.000
LGA    I    20_B      I    20_B    19.506     0    0.582   0.707    21.581    0.000    0.000
LGA    V    21_B      V    21_B    18.219     0    0.464   1.306    19.419    0.000    0.000
LGA    L    22_B      L    22_B    21.942     0    0.454   1.197    25.682    0.000    0.000
LGA    L    23_B      L    23_B    25.140     0    0.604   1.066    29.984    0.000    0.000
LGA    I    24_B      I    24_B    22.336     0    0.547   0.599    25.399    0.000    0.000
LGA    A    25_B      A    25_B    24.359     0    0.546   0.554    26.926    0.000    0.000
LGA    E    26_B      E    26_B    29.697     0    0.615   1.282    33.015    0.000    0.000
LGA    S    27_B      S    27_B    31.458     0    0.285   0.525    33.670    0.000    0.000
LGA    H    28_B      H    28_B    31.003     0    0.099   1.374    33.280    0.000    0.000
LGA    D    29_B      D    29_B    35.061     0    0.084   0.793    41.050    0.000    0.000
LGA    A    30_B      A    30_B    32.610     0    0.632   0.617    35.630    0.000    0.000
LGA    P    31_B      P    31_B    36.331     0    0.654   0.540    37.034    0.000    0.000
LGA    Y    32_B      Y    32_B    33.035     0    0.270   1.211    36.091    0.000    0.000
LGA    R    33_B      R    33_B    34.716     0    0.456   1.127    35.982    0.000    0.000
LGA    L    34_B      L    34_B    33.667     0    0.598   1.444    33.860    0.000    0.000
LGA    A    35_B      A    35_B    33.783     0    0.533   0.516    34.949    0.000    0.000
LGA    N    36_B      N    36_B    33.188     3    0.133   0.131    35.234    0.000    0.000
LGA    P    37_B      P    37_B    27.489     0    0.347   0.540    30.561    0.000    0.000
LGA    E    38_B      E    38_B    27.868     4    0.319   0.343    29.267    0.000    0.000
LGA    D    39_B      D    39_B    32.931     0    0.311   1.252    37.034    0.000    0.000
LGA    P    40_B      P    40_B    32.537     0    0.102   0.128    36.739    0.000    0.000
LGA    E    41_B      E    41_B    38.766     0    0.142   0.609    42.018    0.000    0.000
LGA    A    42_B      A    42_B    41.987     0    0.523   0.483    42.565    0.000    0.000
LGA    D    43_B      D    43_B    38.563     0    0.615   0.584    39.638    0.000    0.000
LGA    L    44_B      L    44_B    36.087     0    0.109   0.189    37.147    0.000    0.000
LGA    S    45_B      S    45_B    34.639     0    0.558   0.670    35.132    0.000    0.000
LGA    D    46_B      D    46_B    33.839     0    0.056   0.958    36.131    0.000    0.000
LGA    E    47_B      E    47_B    34.647     0    0.061   1.064    40.647    0.000    0.000
LGA    Q    48_B      Q    48_B    31.679     0    0.066   1.310    36.899    0.000    0.000
LGA    L    49_B      L    49_B    26.984     0    0.067   0.944    29.648    0.000    0.000
LGA    E    50_B      E    50_B    27.026     4    0.051   0.052    28.977    0.000    0.000
LGA    R    51_B      R    51_B    27.690     0    0.042   1.396    36.780    0.000    0.000
LGA    A    52_B      A    52_B    22.789     0    0.073   0.072    24.815    0.000    0.000
LGA    L    53_B      L    53_B    19.479     0    0.033   1.333    21.006    0.000    0.000
LGA    A    54_B      A    54_B    20.975     0    0.034   0.035    23.122    0.000    0.000
LGA    A    55_B      A    55_B    21.192     0    0.051   0.047    22.605    0.000    0.000
LGA    Y    56_B      Y    56_B    15.869     0    0.017   0.054    17.902    0.000    0.119
LGA    L    57_B      L    57_B    13.931     0    0.022   0.450    15.575    0.000    0.000
LGA    T    58_B      T    58_B    16.834     0    0.042   0.136    20.118    0.000    0.000
LGA    L    59_B      L    59_B    16.765     0    0.078   0.906    20.616    0.000    0.000
LGA    V    60_B      V    60_B    12.254     0    0.054   1.191    13.616    0.000    0.204
LGA    E    61_B      E    61_B    12.158     0    0.061   0.592    13.709    0.000    0.000
LGA    T    62_B      T    62_B    16.782     0    0.578   0.679    20.756    0.000    0.000
LGA    L    63_B      L    63_B    17.822     0    0.102   1.282    21.326    0.000    0.000
LGA    F    64_B      F    64_B    17.577     0    0.217   1.258    26.354    0.000    0.000
LGA    P    65_B      P    65_B    15.003     0    0.044   0.687    16.667    0.000    0.000
LGA    E    66_B      E    66_B    13.630     0    0.052   1.189    20.774    0.000    0.000
LGA    L    67_B      L    67_B    11.012     0    0.035   1.031    12.209    0.714    0.714
LGA    Y    68_B      Y    68_B    10.345     0    0.025   0.081    11.578    1.548    0.833
LGA    A    69_B      A    69_B     9.607     0    0.033   0.039    10.997    3.095    2.476
LGA    E    70_B      E    70_B     7.160     0    0.034   0.378     8.276   16.905   12.910
LGA    M    71_B      M    71_B     4.996     0    0.021   1.225     7.209   35.000   23.810
LGA    K    72_B      K    72_B     4.852     0    0.019   0.749     9.433   36.190   21.693
LGA    A    73_B      A    73_B     4.974     0    0.053   0.063     6.110   37.381   33.333
LGA    A    74_B      A    74_B     1.890     0    0.032   0.032     2.858   66.905   69.810
LGA    L    75_B      L    75_B     1.383     0    0.023   1.300     5.743   75.119   64.702
LGA    A    76_B      A    76_B     2.938     0    0.024   0.028     4.685   51.190   49.619
LGA    A    77_B      A    77_B     5.294     0    0.017   0.017     6.889   24.524   24.857
LGA    A    78_B      A    78_B     5.680     0    0.594   0.589     7.300   20.000   21.238
LGA    K    79_B      K    79_B     7.254     0    0.032   1.415    10.507   16.548    7.778
LGA    T    80_B      T    80_B     3.977     0    0.612   0.767     7.141   48.095   36.395
LGA    P    81_B      P    81_B     2.139     0    0.645   0.677     5.377   79.524   60.816
LGA    E    82_B      E    82_B     1.680     4    0.071   0.083     3.010   70.952   37.090
LGA    E    83_B      E    83_B     3.887     4    0.045   0.047     5.320   46.667   23.651
LGA    K    84_B      K    84_B     3.545     0    0.054   0.741    11.863   53.810   31.905
LGA    I    85_B      I    85_B     1.328     0    0.031   0.229     4.538   81.548   69.167
LGA    A    86_B      A    86_B     1.984     0    0.033   0.035     3.120   75.000   70.000
LGA    V    87_B      V    87_B     2.820     0    0.030   0.141     5.146   62.857   48.707
LGA    F    88_B      F    88_B     2.536     0    0.053   0.217     7.163   64.881   38.658
LGA    R    89_B      R    89_B     2.319     0    0.015   0.728     6.836   68.810   44.589
LGA    E    90_B      E    90_B     1.631     0    0.024   0.825     7.136   83.810   52.963
LGA    Y    91_B      Y    91_B     1.744     0    0.112   0.489     5.844   73.214   51.944
LGA    N    92_B      N    92_B     3.355     0    0.038   0.988     8.120   55.476   37.798
LGA    A    93_B      A    93_B     2.315     0    0.053   0.053     2.660   70.952   68.190
LGA    R    94_B      R    94_B     0.517     0    0.032   1.443     8.850   88.333   54.805
LGA    F    95_B      F    95_B     3.057     0    0.014   1.203     6.039   55.476   39.048
LGA    L    96_B      L    96_B     3.718     0    0.075   1.026     4.567   50.119   48.750
LGA    A    97_B      A    97_B     1.724     0    0.054   0.073     2.017   79.643   76.667
LGA    E    98_B      E    98_B     1.219     0    0.040   0.439     4.224   81.786   63.651
LGA    F    99_B      F    99_B     3.401     0    0.080   0.562     7.909   53.690   29.307
LGA    D   100_B      D   100_B     3.417     0    0.091   0.486     7.230   57.262   39.345
LGA    A   101_B      A   101_B     1.279     0    0.022   0.022     1.542   85.952   83.333
LGA    L   102_B      L   102_B     1.211     0    0.030   1.206     5.108   83.690   70.536
LGA    I   103_B      I   103_B     1.950     0    0.078   0.236     4.435   77.143   59.524
LGA    D   104_B      D   104_B     2.236     0    0.043   0.412     5.023   68.810   53.393
LGA    Q   105_B      Q   105_B     1.838     0    0.068   1.301     8.606   75.000   48.783
LGA    A   106_B      A   106_B     0.853     0    0.038   0.037     1.099   88.214   88.667
LGA    F   107_B      F   107_B     1.525     0    0.123   0.883     3.173   75.238   69.654
LGA    A   108_B      A   108_B     3.087     0    0.050   0.065     3.649   55.476   53.048
LGA    R   109_B      R   109_B     2.959     0    0.039   1.185    10.910   59.048   32.294
LGA    L   110_B      L   110_B     0.871     3    0.038   0.047     1.441   83.690   53.155
LGA    K   111_B      K   111_B     3.159     2    0.365   0.659     9.522   71.667   35.397
LGA    A   112_B      A   112_B     4.111     0    0.612   0.600     7.483   35.357   31.714
LGA    D   113_B      D   113_B     9.479     0    0.109   1.154    12.499    2.857    1.429
LGA    S   114_B      S   114_B     9.879     0    0.301   0.465    13.216    3.690    2.460
LGA    L   115_B      L   115_B     9.616     0    0.414   0.686    14.060    0.238    9.167
LGA    T   116_B      T   116_B    15.211     0    0.037   0.044    20.067    0.000    0.000
LGA    L   117_B      L   117_B    16.593     0    0.115   1.379    18.710    0.000    0.000
LGA    K   118_B      K   118_B    21.206     0    0.250   0.407    24.896    0.000    0.000
LGA    I   119_B      I   119_B    23.628     0    0.100   0.241    25.769    0.000    0.000
LGA    H   120_B      H   120_B    29.059     0    0.102   0.084    30.313    0.000    0.000
LGA    L   121_B      L   121_B    31.899     0    0.104   0.233    34.631    0.000    0.000
LGA    S   122_B      S   122_B    37.835     0    0.702   0.646    39.462    0.000    0.000
LGA    Q   123_B      Q   123_B    41.079     4    0.610   0.589    42.975    0.000    0.000
LGA    G   124_B      G   124_B    36.420     0    0.325   0.325    38.685    0.000    0.000
LGA    K   125_B      K   125_B    31.795     4    0.123   0.141    33.769    0.000    0.000
LGA    G   126_B      G   126_B    28.815     0    0.567   0.567    29.356    0.000    0.000
LGA    S   127_B      S   127_B    25.606     0    0.127   0.508    26.772    0.000    0.000
LGA    Y   128_B      Y   128_B    22.244     0    0.680   1.288    23.430    0.000    0.000
LGA    E   129_B      E   129_B    21.437     0    0.324   0.737    25.975    0.000    0.000
LGA    I   130_B      I   130_B    19.715     0    0.098   0.264    20.295    0.000    0.000
LGA    I   131_B      I   131_B    19.991     0    0.081   0.123    24.991    0.000    0.000
LGA    F   132_B      F   132_B    16.217     0    0.138   0.176    17.480    0.000    0.000
LGA    P   133_B      P   133_B    16.220     0    0.175   0.651    16.220    0.000    0.000
LGA    P   134_B      P   134_B    15.291     0    0.066   0.400    17.742    0.000    0.000
LGA    E   135_B      E   135_B    15.310     4    0.372   0.368    16.657    0.000    0.000
LGA    V   136_B      V   136_B    13.731     0    0.135   0.303    15.548    0.000    0.000
LGA    Q   137_B      Q   137_B    15.622     4    0.593   0.581    18.560    0.000    0.000
LGA    A   138_B      A   138_B    17.205     0    0.042   0.054    19.727    0.000    0.000
LGA    D   139_B      D   139_B    20.199     0    0.044   1.126    23.683    0.000    0.000
LGA    P   140_B      P   140_B    22.378     0    0.608   0.657    23.823    0.000    0.000
LGA    E   141_B      E   141_B    25.965     0    0.567   0.831    32.676    0.000    0.000
LGA    R   142_B      R   142_B    21.988     0    0.108   1.127    24.522    0.000    0.000
LGA    A   143_B      A   143_B    25.257     0    0.043   0.048    27.261    0.000    0.000
LGA    A   144_B      A   144_B    25.204     0    0.027   0.026    26.000    0.000    0.000
LGA    A   145_B      A   145_B    20.166     0    0.020   0.019    22.003    0.000    0.000
LGA    I   146_B      I   146_B    20.019     0    0.075   1.643    23.566    0.000    0.000
LGA    E   147_B      E   147_B    23.692     0    0.082   0.612    28.904    0.000    0.000
LGA    A   148_B      A   148_B    21.049     0    0.067   0.066    21.995    0.000    0.000
LGA    L   149_B      L   149_B    17.876     0    0.044   1.095    18.972    0.000    0.000
LGA    W   150_B      W   150_B    20.704     0    0.065   1.370    24.357    0.000    0.000
LGA    K   151_B      K   151_B    22.709     4    0.047   0.048    23.100    0.000    0.000
LGA    P   152_B      P   152_B    19.104     0    0.052   0.159    19.994    0.000    0.000
LGA    T   153_B      T   153_B    19.715     0    0.033   1.162    22.480    0.000    0.000
LGA    L   154_B      L   154_B    24.701     0    0.016   0.374    27.045    0.000    0.000
LGA    D   155_B      D   155_B    24.414     0    0.039   0.170    26.178    0.000    0.000
LGA    Q   156_B      Q   156_B    22.246     0    0.033   1.058    24.552    0.000    0.000
LGA    L   157_B      L   157_B    26.241     0    0.054   1.090    29.418    0.000    0.000
LGA    L   158_B      L   158_B    29.149     0    0.086   0.954    32.567    0.000    0.000
LGA    A   159_B      A   159_B    26.782     0    0.048   0.044    28.129    0.000    0.000
LGA    V   160_B      V   160_B    27.798     0    0.051   0.195    30.296    0.000    0.000
LGA    L   161_B      L   161_B    31.702     0    0.038   0.233    33.496    0.000    0.000
LGA    Q   162_B      Q   162_B    32.067     0    0.051   1.273    33.948    0.000    0.000
LGA    E   163_B      E   163_B    30.734     3    0.121   0.573    32.314    0.000    0.000
LGA    K   164_B      K   164_B    34.048     4    0.087   0.085    36.553    0.000    0.000
LGA    H   165_B      H   165_B    37.077     0    0.236   0.619    39.886    0.000    0.000
LGA    K   166_B      K   166_B    36.376     2    0.629   0.497    37.198    0.000    0.000
LGA    G   167_B      G   167_B    36.513     0    0.628   0.628    36.755    0.000    0.000
LGA    K   168_B      K   168_B    34.139     0    0.075   0.617    36.364    0.000    0.000
LGA    P   169_B      P   169_B    35.773     0    0.180   0.670    35.773    0.000    0.000
LGA    A   170_B      A   170_B    34.204     0    0.524   0.597    36.048    0.000    0.000
LGA    T   171_B      T   171_B    29.236     0    0.113   0.754    30.711    0.000    0.000
LGA    T   172_B      T   172_B    31.727     0    0.211   0.812    34.909    0.000    0.000
LGA    V   173_B      V   173_B    28.200     0    0.101   0.214    30.575    0.000    0.000
LGA    T   174_B      T   174_B    32.697     0    0.064   0.187    37.072    0.000    0.000
LGA    Y   175_B      Y   175_B    32.099     0    0.134   1.173    35.027    0.000    0.000
LGA    E   176_B      E   176_B    37.108     0    0.073   0.511    45.267    0.000    0.000
LGA    I   177_B      I   177_B    33.175     0    0.051   0.177    35.930    0.000    0.000
LGA    S   178_B      S   178_B    34.988     0    0.491   0.744    38.964    0.000    0.000
LGA    A   179_B      A   179_B    30.600     0    0.084   0.085    32.010    0.000    0.000
LGA    E   180_B      E   180_B    33.954     0    0.078   0.731    42.802    0.000    0.000
LGA    T   181_B      T   181_B    31.213     0    0.108   1.099    32.701    0.000    0.000
LGA    L   182_B      L   182_B    24.857     0    0.070   1.225    27.494    0.000    0.000
LGA    R   183_B      R   183_B    25.203     0    0.054   0.952    32.584    0.000    0.000
LGA    A   184_B      A   184_B    27.871     0    0.065   0.059    30.068    0.000    0.000
LGA    A   185_B      A   185_B    22.619     0    0.022   0.022    24.611    0.000    0.000
LGA    V   186_B      V   186_B    18.346     0    0.056   0.129    20.049    0.000    0.000
LGA    A   187_B      A   187_B    23.209     0    0.055   0.057    25.813    0.000    0.000
LGA    A   188_B      A   188_B    23.117     0    0.050   0.047    23.615    0.000    0.000
LGA    L   189_B      L   189_B    16.675     0    0.027   1.363    18.802    0.000    0.000
LGA    A   190_B      A   190_B    18.309     0    0.038   0.035    20.712    0.000    0.000
LGA    R   191_B      R   191_B    24.195     0    0.035   1.223    33.014    0.000    0.000
LGA    A   192_B      A   192_B    20.833     0    0.047   0.046    21.684    0.000    0.000
LGA    A   193_B      A   193_B    17.490     0    0.040   0.039    20.491    0.000    0.000
LGA    E   194_B      E   194_B    24.078     0    0.040   0.959    30.975    0.000    0.000
LGA    A   195_B      A   195_B    26.587     0    0.020   0.023    26.887    0.000    0.000
LGA    A   196_B      A   196_B    22.083     0    0.030   0.029    24.245    0.000    0.000
LGA    L   197_B      L   197_B    24.667     0    0.047   0.280    28.563    0.000    0.000
LGA    R   198_B      R   198_B    31.018     0    0.084   1.431    36.861    0.000    0.000
LGA    R   199_B      R   199_B    30.700     0    0.065   0.984    32.313    0.000    0.000
LGA    K   200_B      K   200_B    29.207     0    0.596   0.796    33.123    0.000    0.000
LGA    V   201_B      V   201_B    33.457     0    0.050   1.280    35.018    0.000    0.000
LGA    G   202_B      G   202_B    31.557     0    0.616   0.616    31.729    0.000    0.000
LGA    S   203_B      S   203_B    29.015     1    0.514   0.531    29.911    0.000    0.000
LGA    L   204_B      L   204_B    28.454     3    0.260   0.248    29.725    0.000    0.000
LGA    E   205_B      E   205_B    22.511     4    0.044   0.045    24.733    0.000    0.000
LGA    S   206_B      S   206_B    24.288     1    0.154   0.159    26.541    0.000    0.000
LGA    S   207_B      S   207_B    20.702     0    0.133   0.657    21.912    0.000    0.000
LGA    G   208_B      G   208_B    15.624     0    0.536   0.536    17.835    0.000    0.000
LGA    L   209_B      L   209_B    16.146     3    0.264   0.251    16.718    0.000    0.000
LGA    E   210_B      E   210_B    12.283     4    0.544   0.508    13.613    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):    18.192         18.173                 18.427           12.817    9.904

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     36    2.52    17.633    15.219     1.375

LGA_LOCAL      RMSD:   2.518  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.193  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  18.192  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.388603 * X  +  -0.171317 * Y  +  -0.905339 * Z  +  36.303616
  Y_new =   0.397219 * X  +   0.917719 * Y  +  -0.003159 * Z  + -27.309500
  Z_new =   0.831387 * X  +  -0.358390 * Y  +   0.424678 * Z  + -50.688587 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.796362 -0.981600 -0.700947   [DEG:   45.6282  -56.2415  -40.1613 ]
ZXZ: -1.567307  1.132190  1.977801   [DEG:  -89.8001   64.8697  113.3196 ]
 
# END of job
