
#######################################################
#                                                     #
#                        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  222 ( 1696),  selected  222 , name one
# Molecule2: number of CA atoms  222 ( 1696),  selected  222 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   135      72_A - 206_A       4.94    20.81
  LONGEST_CONTINUOUS_SEGMENT:   135      73_A - 207_A       5.00    21.03
  LCS_AVERAGE:     43.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124      75_A - 198_A       1.89    22.29
  LONGEST_CONTINUOUS_SEGMENT:   124      76_A - 199_A       1.88    22.54
  LCS_AVERAGE:     32.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      76_A - 196_A       0.84    22.65
  LONGEST_CONTINUOUS_SEGMENT:   121      77_A - 197_A       0.92    22.73
  LCS_AVERAGE:     30.96

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  222
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     1_A     G     1_A      4    6   20      3    4    4    5    5    7    8    9   11   12   15   16   20   26   27   28   31   32   35   37 
LCS_GDT     P     2_A     P     2_A      4    8   20      3    4    4    5    6    7   10   15   18   19   21   23   25   27   30   31   33   37   39   40 
LCS_GDT     H     3_A     H     3_A      4   10   20      3    4    4    5    7    9   10   17   19   20   21   28   32   39   41   44   47   66   69   73 
LCS_GDT     M     4_A     M     4_A      8   13   21      3    4    5   10   13   14   15   17   19   21   23   28   32   39   41   44   47   51   58   73 
LCS_GDT     E     5_A     E     5_A      9   13   21      3    6   10   10   13   14   15   17   19   21   23   28   31   34   35   37   47   51   58   66 
LCS_GDT     Q     6_A     Q     6_A      9   13   21      5    7   10   10   13   14   15   17   19   21   23   28   32   39   41   44   58   66   69   73 
LCS_GDT     L     7_A     L     7_A      9   13   21      5    7   10   10   13   14   15   17   19   20   23   28   32   39   41   44   47   51   69   73 
LCS_GDT     E     8_A     E     8_A      9   13   21      5    7   10   10   13   14   15   17   19   21   22   26   28   34   35   37   42   46   48   50 
LCS_GDT     G     9_A     G     9_A      9   13   21      5    7   10   10   13   14   15   17   19   21   23   28   32   39   41   44   47   51   58   66 
LCS_GDT     I    10_A     I    10_A      9   13   21      5    7   10   10   13   14   15   17   19   21   23   28   32   39   42   52   58   66   69   73 
LCS_GDT     M    11_A     M    11_A      9   13   21      5    7   10   10   13   14   15   17   19   20   22   23   27   31   34   39   42   46   48   53 
LCS_GDT     L    12_A     L    12_A      9   13   21      5    7   10   10   13   14   15   17   19   20   22   26   28   34   35   37   39   43   48   49 
LCS_GDT     S    13_A     S    13_A      9   13   21      3    7    9   10   13   14   15   17   19   21   23   28   32   39   41   44   48   66   69   73 
LCS_GDT     P    14_A     P    14_A      4   13   21      3    4    5    9   12   14   15   17   19   21   23   28   32   40   42   52   58   66   69   73 
LCS_GDT     A    15_A     A    15_A      4   13   21      3    4    7    9   10   14   15   17   19   21   26   31   40   46   53   58   71   75   80   87 
LCS_GDT     F    16_A     F    16_A      4   13   23      0    3    4    6   10   12   14   16   20   25   30   36   40   48   57   65   71   75   85   91 
LCS_GDT     Q    17_A     Q    17_A      4    5   23      4    4    4    5    6    8   11   15   20   25   30   34   43   49   53   62   69   73   84   91 
LCS_GDT     E    18_A     E    18_A      4    5   40      4    4    4    5    7   10   11   16   20   25   30   35   43   49   55   62   69   77   85   92 
LCS_GDT     Q    19_A     Q    19_A      4    5   41      4    4    5    6    9   13   17   22   25   30   36   45   54   61   66   74   81   86   99  105 
LCS_GDT     M    20_A     M    20_A      4    8   41      4    4    4    5    7   10   16   20   22   27   33   38   45   56   63   69   75   81   90   98 
LCS_GDT     N    21_A     N    21_A      7    8   41      5    7    7    7   10   13   17   20   26   30   33   34   35   38   44   51   58   62   73   78 
LCS_GDT     A    22_A     A    22_A      7    8   41      5    7    7    9   12   16   19   25   27   30   33   36   38   39   41   48   55   60   66   74 
LCS_GDT     L    23_A     L    23_A      7    8   41      5    7    7    8   11   15   19   25   27   30   33   36   38   39   41   43   46   51   61   72 
LCS_GDT     M    24_A     M    24_A      7    8   41      5    7    7    8   11   16   19   25   27   30   33   36   38   39   41   43   46   51   60   66 
LCS_GDT     L    25_A     L    25_A      7    9   41      5    7    7    8   10   13   19   22   27   30   33   36   38   39   41   43   46   51   60   66 
LCS_GDT     D    26_A     D    26_A      8    9   41      4    7    7    9   10   11   16   17   22   28   32   36   38   39   41   43   46   46   47   53 
LCS_GDT     P    27_A     P    27_A      8    9   41      4    7    8   10   11   14   17   23   27   29   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     R    28_A     R    28_A      8    9   41      4    7    8   10   12   14   19   25   27   30   33   36   38   39   41   43   46   46   47   53 
LCS_GDT     M    29_A     M    29_A      8    9   41      5    7    8   10   12   16   19   25   27   30   33   36   38   39   41   45   52   61   73   80 
LCS_GDT     L    30_A     L    30_A      8    9   41      5    7    8   10   12   16   19   25   27   30   33   36   38   39   41   43   46   53   61   68 
LCS_GDT     D    31_A     D    31_A      8    9   41      5    7    8   10   12   16   19   25   27   30   33   36   38   39   41   43   46   46   47   58 
LCS_GDT     M    32_A     M    32_A      8    9   41      5    7    8   10   12   16   19   25   27   30   33   36   38   39   41   44   53   65   75   83 
LCS_GDT     M    33_A     M    33_A      8    9   41      5    7    8   10   12   16   19   25   27   30   33   36   38   39   50   63   71   77   82   94 
LCS_GDT     I    34_A     I    34_A      4    6   41      3    4    5    6    6    8   11   14   16   22   29   33   37   43   49   65   74   79   90   98 
LCS_GDT     D    35_A     D    35_A      4    6   41      3    4    4    4    5    8   11   14   16   20   26   31   37   46   51   70   78   88   97  106 
LCS_GDT     Q    36_A     Q    36_A      4    6   41      3    5    8   10   12   16   19   25   27   30   39   48   59   66   80   88  102  111  119  124 
LCS_GDT     N    37_A     N    37_A      4    6   41      3    5    6   10   12   16   19   25   27   30   33   40   53   64   75   87   97  109  113  120 
LCS_GDT     P    38_A     P    38_A      4    6   41      3    4    4    4    9   14   19   25   27   30   33   36   38   39   50   61   68   79   90   94 
LCS_GDT     Q    39_A     Q    39_A      4    6   41      3    4    4    4    8   14   19   25   27   30   33   36   38   39   41   49   57   69   76   84 
LCS_GDT     L    40_A     L    40_A      4    6   41      4    4    5    9    9   14   19   25   27   30   33   36   38   39   41   43   46   53   62   71 
LCS_GDT     R    41_A     R    41_A      4    6   41      4    4    5    6    7   11   19   21   25   29   32   36   38   39   41   43   46   46   47   50 
LCS_GDT     N    42_A     N    42_A      4    6   41      4    4    5    6    9   14   19   21   25   30   33   36   38   38   41   43   46   46   47   50 
LCS_GDT     M    43_A     M    43_A      4    6   41      4    4    5    6   10   14   19   21   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     G    44_A     G    44_A      4    6   41      4    4    7   10   11   16   19   25   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     P    45_A     P    45_A      5    6   41      4    4    5    7   10   15   19   25   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     E    46_A     E    46_A      5    6   41      4    4    5    8   10   10   11   12   19   28   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     A    47_A     A    47_A      5    6   41      4    4    5    8   10   14   18   21   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     R    48_A     R    48_A      5    6   41      4    4    5    7    8   14   19   25   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     Q    49_A     Q    49_A      5    7   41      3    4    5    7   11   14   18   25   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     M    50_A     M    50_A      6    7   41      3    5    6    9   12   16   19   25   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     L    51_A     L    51_A      6    7   41      3    5    6    6   11   16   19   25   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     R    52_A     R    52_A      6    7   41      3    5    6    6    9   13   19   25   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     P    53_A     P    53_A      6    7   41      3    5    6    9   12   16   19   25   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     M    54_A     M    54_A      6    7   41      3    5    6    9   12   16   19   25   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     F    55_A     F    55_A      6    7   41      3    5    6    9   12   16   19   25   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     R    56_A     R    56_A      4    7   41      3    3    5    9   12   16   19   25   27   30   33   36   38   39   41   43   46   46   47   50 
LCS_GDT     E    57_A     E    57_A      4    4   41      3    3    5    7    8   13   16   20   25   30   33   34   35   37   39   40   42   46   47   50 
LCS_GDT     M    58_A     M    58_A      4    4   41      3    3    5    7    8    9   11   14   19   25   30   34   35   37   39   40   41   42   47   50 
LCS_GDT     M    59_A     M    59_A      3    4   41      3    3    3    4    4    7   10   13   17   22   26   32   34   36   39   40   42   51   60   69 
LCS_GDT     S    60_A     S    60_A      3    4   40      0    3    3    4    5    8   10   12   14   17   21   24   29   35   37   40   44   52   61   69 
LCS_GDT     N    61_A     N    61_A      3    8   20      3    3    3    4    6    7    9   12   15   17   21   26   35   39   46   53   63   69   78   84 
LCS_GDT     P    62_A     P    62_A      5    8   20      4    5    6    6    7    8   11   19   22   25   31   37   44   54   63   69   75   80   89   98 
LCS_GDT     E    63_A     E    63_A      5    8   20      4    5    6    6    7    8   10   12   15   19   25   30   36   40   48   52   58   66   74   81 
LCS_GDT     S    64_A     S    64_A      5    8   20      4    5    6    6    7    8   10   13   16   21   29   31   36   42   50   59   71   79   85   91 
LCS_GDT     M    65_A     M    65_A      5    8   20      4    5    6    6    7   12   16   20   27   33   42   50   57   66   74   78   83   92  102  113 
LCS_GDT     R    66_A     R    66_A      5    8   20      4    5    6    6    7    8   10   12   19   25   30   35   43   45   53   63   73   79   89   98 
LCS_GDT     S    67_A     S    67_A      4    8   20      3    4    4    5    6    8   10   12   14   16   19   21   22   24   29   40   49   52   63   76 
LCS_GDT     M    68_A     M    68_A      4    8   20      3    4    6    6    7    8    9   12   14   16   16   17   25   39   51   63   73   79   86   93 
LCS_GDT     M    69_A     M    69_A      4    8  131      3    4    4    5    7    8    9   12   14   16   30   35   43   48   59   69   80   89   99  108 
LCS_GDT     N    70_A     N    70_A      3    5  133      0    3    3    3    5    5    9   11   12   15   26   34   40   47   53   65   73   86   95  105 
LCS_GDT     M    71_A     M    71_A      3    4  134      0    3    4    5    8    8    9   15   20   25   30   39   47   61   69   78   82   94  102  117 
LCS_GDT     G    72_A     G    72_A      3    3  135      0    3    4    5    8    8   28   37   44   57   64   71   83   96  110  118  123  125  125  126 
LCS_GDT     R    73_A     R    73_A      3    3  135      3    5    7   15   21   29   38   49   59   69   83   97  111  120  123  124  125  126  127  127 
LCS_GDT     A    74_A     A    74_A      3    6  135      3    3    7   11   16   27   36   43   54   65   75   92  107  118  123  124  125  126  127  127 
LCS_GDT     W    75_A     W    75_A      3  124  135      3    4    6   11   15   28   38   50   62   76   96  109  121  122  123  124  125  126  127  127 
LCS_GDT     G    76_A     G    76_A    121  124  135      3    5   10   49   81  116  120  121  121  121  122  122  122  122  123  124  125  126  127  128 
LCS_GDT     S    77_A     S    77_A    121  124  135     12   41   91  117  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     K    78_A     K    78_A    121  124  135     94  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     K    79_A     K    79_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     I    80_A     I    80_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L    81_A     L    81_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     I    82_A     I    82_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     V    83_A     V    83_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     E    84_A     E    84_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     S    85_A     S    85_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D    86_A     D    86_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     T    87_A     T    87_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A    88_A     A    88_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L    89_A     L    89_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     S    90_A     S    90_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A    91_A     A    91_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     T    92_A     T    92_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L    93_A     L    93_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     R    94_A     R    94_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     S    95_A     S    95_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A    96_A     A    96_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L    97_A     L    97_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     E    98_A     E    98_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     G    99_A     G    99_A    121  124  135     85  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     R   100_A     R   100_A    121  124  135     85  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     G   101_A     G   101_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     F   102_A     F   102_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     T   103_A     T   103_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     V   104_A     V   104_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   105_A     D   105_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     E   106_A     E   106_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     T   107_A     T   107_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     T   108_A     T   108_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   109_A     D   109_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     G   110_A     G   110_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     K   111_A     K   111_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     G   112_A     G   112_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     S   113_A     S   113_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     V   114_A     V   114_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     E   115_A     E   115_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     Q   116_A     Q   116_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     I   117_A     I   117_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     R   118_A     R   118_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     R   119_A     R   119_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   120_A     D   120_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     R   121_A     R   121_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     P   122_A     P   122_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   123_A     D   123_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L   124_A     L   124_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     V   125_A     V   125_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     V   126_A     V   126_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L   127_A     L   127_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A   128_A     A   128_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     V   129_A     V   129_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   130_A     D   130_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L   131_A     L   131_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     S   132_A     S   132_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A   133_A     A   133_A    121  124  135      4   43  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     G   134_A     G   134_A    121  124  135      4    7   53  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     Q   135_A     Q   135_A    121  124  135      6   40  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     N   136_A     N   136_A    121  124  135      4   78  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     G   137_A     G   137_A    121  124  135     55  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     Y   138_A     Y   138_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L   139_A     L   139_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     I   140_A     I   140_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     C   141_A     C   141_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     G   142_A     G   142_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     K   143_A     K   143_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L   144_A     L   144_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     K   145_A     K   145_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     K   146_A     K   146_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   147_A     D   147_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   148_A     D   148_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   149_A     D   149_A    121  124  135     47  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L   150_A     L   150_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     K   151_A     K   151_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     N   152_A     N   152_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     V   153_A     V   153_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     P   154_A     P   154_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     I   155_A     I   155_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     V   156_A     V   156_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     I   157_A     I   157_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     I   158_A     I   158_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     G   159_A     G   159_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     N   160_A     N   160_A    121  124  135     88  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     P   161_A     P   161_A    121  124  135     85  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   162_A     D   162_A    121  124  135     88  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     G   163_A     G   163_A    121  124  135     85  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     F   164_A     F   164_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A   165_A     A   165_A    121  124  135     72  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     Q   166_A     Q   166_A    121  124  135     54  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     H   167_A     H   167_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     R   168_A     R   168_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     K   169_A     K   169_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L   170_A     L   170_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     K   171_A     K   171_A    121  124  135      4  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A   172_A     A   172_A    121  124  135      4  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     H   173_A     H   173_A    121  124  135     61  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A   174_A     A   174_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   175_A     D   175_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     E   176_A     E   176_A    121  124  135     88  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     Y   177_A     Y   177_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     V   178_A     V   178_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A   179_A     A   179_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     K   180_A     K   180_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     P   181_A     P   181_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     V   182_A     V   182_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   183_A     D   183_A    121  124  135     58  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A   184_A     A   184_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     D   185_A     D   185_A    121  124  135     85  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     Q   186_A     Q   186_A    121  124  135     83  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L   187_A     L   187_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     V   188_A     V   188_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     E   189_A     E   189_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     R   190_A     R   190_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A   191_A     A   191_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     G   192_A     G   192_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     A   193_A     A   193_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     L   194_A     L   194_A    121  124  135     95  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     I   195_A     I   195_A    121  124  135      3  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     G   196_A     G   196_A    121  124  135     83  115  118  119  119  120  120  121  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     F   197_A     F   197_A    121  124  135      3    3    3    5   45   80  107  118  121  121  122  122  122  122  124  124  125  126  127  128 
LCS_GDT     P   198_A     P   198_A      4  124  135      3    4    4    4    6   28   45   56   78  101  115  121  122  122  124  124  125  126  127  128 
LCS_GDT     E   199_A     E   199_A      4  124  135      3    4    4    5    6    9   17   32   45   65   85  100  116  120  124  124  125  126  127  128 
LCS_GDT     G   200_A     G   200_A      4    4  135      3    4    4    5   10   10   11   12   14   22   32   41   69   88  117  122  125  125  126  127 
LCS_GDT     N   201_A     N   201_A      4    4  135      3    4    4    5    5    7   15   21   33   57   81  101  118  122  124  124  125  126  127  128 
LCS_GDT     S   202_A     S   202_A      3    4  135      3    3    3    7   10   10   13   16   20   27   33   44   51   64   77   88  102  114  122  127 
LCS_GDT     M   203_A     M   203_A      3    4  135      3    3    3    4    5    7    8    9   11   16   25   31   40   51   59   71   88  100  109  121 
LCS_GDT     M   204_A     M   204_A      3    5  135      3    3    5    7   10   10   13   20   26   36   43   60   70   83   97  109  122  126  127  128 
LCS_GDT     I   205_A     I   205_A      4    5  135      3    3    5    7   10   10   13   16   22   27   40   44   51   64   76   86   97  108  116  125 
LCS_GDT     A   206_A     A   206_A      4    5  135      3    3    5    6   10   10   11   13   16   23   30   35   38   42   54   56   64   80   94  104 
LCS_GDT     L   207_A     L   207_A      4    5  135      3    3    5    7   10   10   11   13   17   21   27   30   33   42   54   58   69   86   98  110 
LCS_GDT     G   208_A     G   208_A      4    5  134      3    3    4    6   10   11   14   17   22   27   40   44   52   64   76   85   97  107  115  125 
LCS_GDT     V   209_A     V   209_A      3    4   20      3    3    5    5    8   14   16   17   22   27   30   36   46   54   60   67   91  100  108  117 
LCS_GDT     A   210_A     A   210_A      4    4   20      3    3    5    5    5    9   14   17   19   20   27   33   38   54   60   67   72   83   88  117 
LCS_GDT     C   211_A     C   211_A      4    4   17      3    3    5    7    8   14   18   22   24   32   36   44   56   67   85   93  105  114  123  127 
LCS_GDT     A   212_A     A   212_A      4    5   14      3    3    5    5    8   10   19   28   34   43   48   63   79   92  101  111  118  126  127  128 
LCS_GDT     I   213_A     I   213_A      4    5   14      3    3    5    5    8   14   16   17   20   28   30   36   46   54   77   85  100  114  123  127 
LCS_GDT     A   214_A     A   214_A      3    5   14      3    3    5    5    5    6    6    9   16   17   26   35   57   67   75   85  113  118  126  128 
LCS_GDT     L   215_A     L   215_A      3    5   14      3    3    5    5    5    6    6    8   10   13   14   16   20   65  100  104  122  126  127  128 
LCS_GDT     A   216_A     A   216_A      3    5   12      3    3    4    4    5    5    6   13   16   17   22   35   38   54   60   84   92  100  108  117 
LCS_GDT     I   217_A     I   217_A      3    3   11      3    3    3    4    5    5    7    7   10   11   20   25   32   38   46   56   59   73   87   99 
LCS_GDT     A   218_A     A   218_A      3    3   11      3    3    3    4    5    5    5    7    8    9   10   11   12   15   17   22   34   37   41   55 
LCS_GDT     A   219_A     A   219_A      3    4   11      3    3    3    3    4    4    5    7    8    9   10   11   21   25   28   37   42   51   56   68 
LCS_GDT     V   220_A     V   220_A      3    4   11      3    4    4    4    5    5    5    7    7    9   10   17   19   22   24   26   33   37   39   43 
LCS_GDT     Y   221_A     Y   221_A      3    4   11      3    4    4    4    5    5    5    7    7    9   10   11   12   20   22   26   28   31   34   37 
LCS_GDT     F   222_A     F   222_A      3    4   11      3    4    4    4    5    5    5    7    7    9   10   11   12   13   14   15   15   16   17   19 
LCS_AVERAGE  LCS_A:  35.71  (  30.96   32.84   43.34 )

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     95    115    118    119    119    120    120    121    121    121    122    122    122    122    124    124    125    126    127    128 
GDT PERCENT_AT  42.79  51.80  53.15  53.60  53.60  54.05  54.05  54.50  54.50  54.50  54.95  54.95  54.95  54.95  55.86  55.86  56.31  56.76  57.21  57.66
GDT RMS_LOCAL    0.30   0.42   0.49   0.54   0.54   0.63   0.63   0.84   0.84   0.84   1.08   1.08   1.08   1.08   2.02   2.02   2.31   2.57   2.86   3.25
GDT RMS_ALL_AT  22.81  22.76  22.81  22.84  22.84  22.77  22.77  22.65  22.65  22.65  22.61  22.61  22.61  22.61  22.64  22.64  22.72  22.25  22.13  21.82

# Checking swapping
#   possible swapping detected:  E     8_A      E     8_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  D    26_A      D    26_A
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  F   102_A      F   102_A
#   possible swapping detected:  D   105_A      D   105_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  D   109_A      D   109_A
#   possible swapping detected:  D   162_A      D   162_A
#   possible swapping detected:  E   176_A      E   176_A
#   possible swapping detected:  D   183_A      D   183_A
#   possible swapping detected:  D   185_A      D   185_A
#   possible swapping detected:  F   197_A      F   197_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    35.586     0    0.222   0.222    36.818    0.000    0.000
LGA    P     2_A      P     2_A    33.620     0    0.089   0.098    35.808    0.000    0.000
LGA    H     3_A      H     3_A    31.128     0    0.579   0.711    31.886    0.000    0.000
LGA    M     4_A      M     4_A    32.842     0    0.690   0.836    36.246    0.000    0.000
LGA    E     5_A      E     5_A    36.746     0    0.074   1.161    38.401    0.000    0.000
LGA    Q     6_A      Q     6_A    33.909     0    0.108   1.242    36.101    0.000    0.000
LGA    L     7_A      L     7_A    36.612     0    0.030   1.397    40.379    0.000    0.000
LGA    E     8_A      E     8_A    42.563     0    0.061   1.063    45.780    0.000    0.000
LGA    G     9_A      G     9_A    41.338     0    0.041   0.041    42.622    0.000    0.000
LGA    I    10_A      I    10_A    39.412     0    0.105   1.055    42.960    0.000    0.000
LGA    M    11_A      M    11_A    45.650     0    0.077   0.662    51.722    0.000    0.000
LGA    L    12_A      L    12_A    48.745     0    0.189   0.962    52.362    0.000    0.000
LGA    S    13_A      S    13_A    44.516     0    0.423   0.678    45.562    0.000    0.000
LGA    P    14_A      P    14_A    43.867     0    0.126   0.119    45.390    0.000    0.000
LGA    A    15_A      A    15_A    37.810     0    0.606   0.595    39.963    0.000    0.000
LGA    F    16_A      F    16_A    37.725     0    0.625   1.314    40.852    0.000    0.000
LGA    Q    17_A      Q    17_A    40.286     0    0.612   1.071    42.420    0.000    0.000
LGA    E    18_A      E    18_A    41.941     0    0.061   0.888    42.972    0.000    0.000
LGA    Q    19_A      Q    19_A    38.247     0    0.035   0.987    39.523    0.000    0.000
LGA    M    20_A      M    20_A    38.933     0    0.604   1.175    42.289    0.000    0.000
LGA    N    21_A      N    21_A    43.125     0    0.604   1.223    46.848    0.000    0.000
LGA    A    22_A      A    22_A    41.997     0    0.042   0.059    42.390    0.000    0.000
LGA    L    23_A      L    23_A    39.246     0    0.087   1.410    40.499    0.000    0.000
LGA    M    24_A      M    24_A    39.791     0    0.218   0.963    43.678    0.000    0.000
LGA    L    25_A      L    25_A    41.519     0    0.036   1.420    45.357    0.000    0.000
LGA    D    26_A      D    26_A    41.699     0    0.591   0.739    45.541    0.000    0.000
LGA    P    27_A      P    27_A    39.344     0    0.118   0.483    43.197    0.000    0.000
LGA    R    28_A      R    28_A    36.198     0    0.068   1.188    37.977    0.000    0.000
LGA    M    29_A      M    29_A    33.608     0    0.096   1.141    34.845    0.000    0.000
LGA    L    30_A      L    30_A    33.818     0    0.045   0.968    37.600    0.000    0.000
LGA    D    31_A      D    31_A    32.780     0    0.038   1.149    33.445    0.000    0.000
LGA    M    32_A      M    32_A    29.802     0    0.076   1.101    31.079    0.000    0.000
LGA    M    33_A      M    33_A    29.223     0    0.505   1.091    30.593    0.000    0.000
LGA    I    34_A      I    34_A    34.939     0    0.591   0.981    40.125    0.000    0.000
LGA    D    35_A      D    35_A    33.752     0    0.432   1.154    38.929    0.000    0.000
LGA    Q    36_A      Q    36_A    27.266     0    0.588   1.121    29.478    0.000    0.000
LGA    N    37_A      N    37_A    27.082     0    0.064   0.285    29.052    0.000    0.000
LGA    P    38_A      P    38_A    27.047     0    0.621   0.615    28.078    0.000    0.000
LGA    Q    39_A      Q    39_A    27.353     0    0.693   0.836    28.559    0.000    0.000
LGA    L    40_A      L    40_A    24.103     0    0.675   0.620    26.180    0.000    0.000
LGA    R    41_A      R    41_A    24.085     0    0.100   0.961    26.299    0.000    0.000
LGA    N    42_A      N    42_A    25.962     0    0.176   1.031    28.484    0.000    0.000
LGA    M    43_A      M    43_A    28.836     0    0.590   1.041    30.418    0.000    0.000
LGA    G    44_A      G    44_A    32.796     0    0.076   0.076    32.796    0.000    0.000
LGA    P    45_A      P    45_A    33.190     0    0.697   0.621    34.947    0.000    0.000
LGA    E    46_A      E    46_A    37.783     0    0.099   0.818    41.914    0.000    0.000
LGA    A    47_A      A    47_A    35.287     0    0.051   0.054    35.922    0.000    0.000
LGA    R    48_A      R    48_A    33.174     0    0.039   0.567    34.965    0.000    0.000
LGA    Q    49_A      Q    49_A    38.726     0    0.647   1.458    43.137    0.000    0.000
LGA    M    50_A      M    50_A    39.712     0    0.396   0.421    40.598    0.000    0.000
LGA    L    51_A      L    51_A    38.490     0    0.040   0.915    39.323    0.000    0.000
LGA    R    52_A      R    52_A    39.504     0    0.102   1.118    41.216    0.000    0.000
LGA    P    53_A      P    53_A    42.870     0    0.108   0.272    43.668    0.000    0.000
LGA    M    54_A      M    54_A    40.961     0    0.043   1.223    43.915    0.000    0.000
LGA    F    55_A      F    55_A    40.823     0    0.620   1.549    42.116    0.000    0.000
LGA    R    56_A      R    56_A    46.048     0    0.086   0.696    55.628    0.000    0.000
LGA    E    57_A      E    57_A    46.320     0    0.617   0.944    52.074    0.000    0.000
LGA    M    58_A      M    58_A    39.875     0    0.614   1.226    42.359    0.000    0.000
LGA    M    59_A      M    59_A    37.877     0    0.693   1.450    38.530    0.000    0.000
LGA    S    60_A      S    60_A    39.088     0    0.656   0.581    42.555    0.000    0.000
LGA    N    61_A      N    61_A    35.608     0    0.586   0.494    36.906    0.000    0.000
LGA    P    62_A      P    62_A    35.524     0    0.388   0.625    36.476    0.000    0.000
LGA    E    63_A      E    63_A    39.222     0    0.086   0.880    43.754    0.000    0.000
LGA    S    64_A      S    64_A    35.393     0    0.080   0.590    36.778    0.000    0.000
LGA    M    65_A      M    65_A    31.456     0    0.053   0.900    32.968    0.000    0.000
LGA    R    66_A      R    66_A    35.277     0    0.547   1.395    40.109    0.000    0.000
LGA    S    67_A      S    67_A    39.057     0    0.235   0.689    42.954    0.000    0.000
LGA    M    68_A      M    68_A    34.348     0    0.084   0.678    36.192    0.000    0.000
LGA    M    69_A      M    69_A    29.081     0    0.497   1.078    30.876    0.000    0.000
LGA    N    70_A      N    70_A    29.426     0    0.643   1.390    30.169    0.000    0.000
LGA    M    71_A      M    71_A    27.796     0    0.539   1.414    31.361    0.000    0.000
LGA    G    72_A      G    72_A    20.644     0    0.532   0.532    23.114    0.000    0.000
LGA    R    73_A      R    73_A    16.597     0    0.610   0.776    18.723    0.000    0.000
LGA    A    74_A      A    74_A    16.954     0    0.147   0.139    18.425    0.000    0.000
LGA    W    75_A      W    75_A    13.388     0    0.672   0.541    22.799    0.000    0.000
LGA    G    76_A      G    76_A     6.086     0    0.607   0.607     8.689   22.143   22.143
LGA    S    77_A      S    77_A     3.256     0    0.093   0.568     4.329   50.476   49.206
LGA    K    78_A      K    78_A     0.432     0    0.137   0.985     3.188   95.357   85.132
LGA    K    79_A      K    79_A     0.285     0    0.027   0.779     1.586  100.000   93.862
LGA    I    80_A      I    80_A     0.434     0    0.025   0.622     1.954   97.619   91.845
LGA    L    81_A      L    81_A     0.406     0    0.033   0.978     2.145  100.000   91.012
LGA    I    82_A      I    82_A     0.335     0    0.040   0.141     0.758  100.000   98.810
LGA    V    83_A      V    83_A     0.111     0    0.021   0.083     0.257  100.000  100.000
LGA    E    84_A      E    84_A     0.230     0    0.030   0.108     0.702  100.000   96.825
LGA    S    85_A      S    85_A     0.204     0    0.065   0.629     2.072  100.000   94.127
LGA    D    86_A      D    86_A     0.503     0    0.097   0.772     2.934   97.619   86.548
LGA    T    87_A      T    87_A     0.221     0    0.027   0.191     0.773  100.000   97.279
LGA    A    88_A      A    88_A     0.253     0    0.049   0.048     0.514  100.000   98.095
LGA    L    89_A      L    89_A     0.306     0    0.034   0.097     0.934  100.000   95.238
LGA    S    90_A      S    90_A     0.190     0    0.031   0.060     0.463  100.000  100.000
LGA    A    91_A      A    91_A     0.070     0    0.031   0.039     0.347  100.000  100.000
LGA    T    92_A      T    92_A     0.305     0    0.036   0.173     0.655  100.000   98.639
LGA    L    93_A      L    93_A     0.400     0    0.041   0.055     0.965  100.000   95.238
LGA    R    94_A      R    94_A     0.176     0    0.033   0.493     1.001  100.000   95.714
LGA    S    95_A      S    95_A     0.255     0    0.066   0.069     0.696  100.000   98.413
LGA    A    96_A      A    96_A     0.210     0    0.029   0.046     0.392  100.000  100.000
LGA    L    97_A      L    97_A     0.193     0    0.033   0.146     0.816  100.000   97.619
LGA    E    98_A      E    98_A     0.139     0    0.051   1.041     2.669  100.000   88.095
LGA    G    99_A      G    99_A     0.618     0    0.099   0.099     1.224   90.595   90.595
LGA    R   100_A      R   100_A     0.818     0    0.126   1.257     6.416   90.476   60.000
LGA    G   101_A      G   101_A     0.533     0    0.033   0.033     0.730   90.476   90.476
LGA    F   102_A      F   102_A     0.460     0    0.016   0.140     1.844  100.000   87.489
LGA    T   103_A      T   103_A     0.349     0    0.073   0.075     0.587  100.000   97.279
LGA    V   104_A      V   104_A     0.325     0    0.058   0.074     0.551  100.000   98.639
LGA    D   105_A      D   105_A     0.228     0    0.047   0.838     3.485  100.000   83.988
LGA    E   106_A      E   106_A     0.111     0    0.033   0.362     1.123  100.000   96.878
LGA    T   107_A      T   107_A     0.383     0    0.036   0.072     0.521   97.619   98.639
LGA    T   108_A      T   108_A     0.250     0    0.048   0.935     2.163  100.000   91.088
LGA    D   109_A      D   109_A     0.289     0    0.102   0.810     2.642  100.000   86.726
LGA    G   110_A      G   110_A     0.112     0    0.033   0.033     0.253  100.000  100.000
LGA    K   111_A      K   111_A     0.330     0    0.034   0.916     5.883  100.000   72.275
LGA    G   112_A      G   112_A     0.274     0    0.105   0.105     0.329  100.000  100.000
LGA    S   113_A      S   113_A     0.063     0    0.035   0.042     0.210  100.000  100.000
LGA    V   114_A      V   114_A     0.174     0    0.014   0.912     2.308  100.000   89.932
LGA    E   115_A      E   115_A     0.322     0    0.043   0.221     1.310  100.000   94.762
LGA    Q   116_A      Q   116_A     0.171     0    0.027   0.685     1.714  100.000   93.968
LGA    I   117_A      I   117_A     0.343     0    0.030   0.115     0.515  100.000   98.810
LGA    R   118_A      R   118_A     0.419     0    0.033   0.198     1.205  100.000   93.117
LGA    R   119_A      R   119_A     0.329     0    0.027   1.174     3.699  100.000   84.935
LGA    D   120_A      D   120_A     0.307     0    0.046   1.072     4.231  100.000   81.429
LGA    R   121_A      R   121_A     0.351     0    0.041   1.096     2.629  100.000   86.970
LGA    P   122_A      P   122_A     0.473     0    0.050   0.138     0.731  100.000   95.918
LGA    D   123_A      D   123_A     0.464     0    0.120   0.255     0.827   95.238   95.238
LGA    L   124_A      L   124_A     0.376     0    0.031   0.195     0.911   97.619   96.429
LGA    V   125_A      V   125_A     0.335     0    0.019   0.064     0.363  100.000  100.000
LGA    V   126_A      V   126_A     0.318     0    0.052   0.064     0.403  100.000  100.000
LGA    L   127_A      L   127_A     0.148     0    0.042   0.116     0.536  100.000   98.810
LGA    A   128_A      A   128_A     0.308     0    0.020   0.030     0.344  100.000  100.000
LGA    V   129_A      V   129_A     0.306     0    0.024   0.103     0.474  100.000  100.000
LGA    D   130_A      D   130_A     0.122     0    0.130   1.242     4.203   97.619   81.190
LGA    L   131_A      L   131_A     0.325     0    0.057   0.258     0.781   97.619   96.429
LGA    S   132_A      S   132_A     0.255     0    0.026   0.612     2.157   92.976   87.857
LGA    A   133_A      A   133_A     1.870     0    0.057   0.058     2.907   69.048   68.190
LGA    G   134_A      G   134_A     2.671     0    0.047   0.047     2.758   60.952   60.952
LGA    Q   135_A      Q   135_A     1.627     0    0.055   0.940     4.128   77.143   69.894
LGA    N   136_A      N   136_A     1.290     0    0.076   0.784     2.471   83.810   78.393
LGA    G   137_A      G   137_A     0.897     0    0.031   0.031     0.984   90.476   90.476
LGA    Y   138_A      Y   138_A     0.558     0    0.051   0.243     1.214   90.476   88.214
LGA    L   139_A      L   139_A     0.622     0    0.045   0.939     3.091   90.476   83.155
LGA    I   140_A      I   140_A     0.525     0    0.033   0.600     2.319   90.476   87.262
LGA    C   141_A      C   141_A     0.502     0    0.053   0.804     2.175   90.476   86.190
LGA    G   142_A      G   142_A     0.501     0    0.040   0.040     0.534   90.476   90.476
LGA    K   143_A      K   143_A     0.521     0    0.034   1.124     3.741   95.238   74.709
LGA    L   144_A      L   144_A     0.289     0    0.025   0.167     0.618  100.000   98.810
LGA    K   145_A      K   145_A     0.346     0    0.074   0.670     3.426   95.238   84.127
LGA    K   146_A      K   146_A     0.568     0    0.140   0.836     3.911   92.857   79.630
LGA    D   147_A      D   147_A     0.552     0    0.008   0.226     0.835   95.238   92.857
LGA    D   148_A      D   148_A     0.548     0    0.046   0.726     2.515   90.476   84.048
LGA    D   149_A      D   149_A     0.936     0    0.034   0.925     3.619   90.476   77.024
LGA    L   150_A      L   150_A     0.254     0    0.095   1.143     2.525  100.000   90.060
LGA    K   151_A      K   151_A     0.304     0    0.072   0.960     2.481   97.619   83.122
LGA    N   152_A      N   152_A     0.544     0    0.160   0.173     1.964   95.238   85.119
LGA    V   153_A      V   153_A     0.354     0    0.034   0.956     2.763  100.000   88.639
LGA    P   154_A      P   154_A     0.138     0    0.039   0.186     0.838  100.000   97.279
LGA    I   155_A      I   155_A     0.119     0    0.019   0.358     1.291  100.000   96.488
LGA    V   156_A      V   156_A     0.176     0    0.041   0.065     0.237  100.000  100.000
LGA    I   157_A      I   157_A     0.114     0    0.028   0.134     0.603  100.000   98.810
LGA    I   158_A      I   158_A     0.348     0    0.051   0.837     2.188  100.000   90.893
LGA    G   159_A      G   159_A     0.414     0    0.039   0.039     0.414  100.000  100.000
LGA    N   160_A      N   160_A     0.611     0    0.038   0.872     3.268   90.476   82.083
LGA    P   161_A      P   161_A     0.717     0    0.131   0.134     0.717   92.857   94.558
LGA    D   162_A      D   162_A     0.664     0    0.611   1.391     5.392   78.095   65.298
LGA    G   163_A      G   163_A     0.714     0    0.189   0.189     0.851   90.476   90.476
LGA    F   164_A      F   164_A     0.396     0    0.051   0.335     0.996   97.619   97.403
LGA    A   165_A      A   165_A     0.614     0    0.025   0.041     0.789   92.857   92.381
LGA    Q   166_A      Q   166_A     0.774     0    0.053   1.186     3.461   92.857   81.164
LGA    H   167_A      H   167_A     0.487     0    0.029   0.214     1.408  100.000   90.667
LGA    R   168_A      R   168_A     0.452     0    0.019   0.687     2.166   97.619   85.152
LGA    K   169_A      K   169_A     0.305     0    0.109   0.762     1.982   97.619   89.683
LGA    L   170_A      L   170_A     0.435     0    0.032   0.998     2.974   95.238   87.857
LGA    K   171_A      K   171_A     0.835     0    0.044   0.204     2.640   88.214   79.841
LGA    A   172_A      A   172_A     0.897     0    0.491   0.448     2.291   84.048   81.810
LGA    H   173_A      H   173_A     0.780     0    0.087   0.199     0.872   90.476   93.333
LGA    A   174_A      A   174_A     0.346     0    0.033   0.042     0.508   97.619   98.095
LGA    D   175_A      D   175_A     0.387     0    0.082   0.185     0.533  100.000   98.810
LGA    E   176_A      E   176_A     0.635     0    0.035   0.623     2.153   90.476   84.656
LGA    Y   177_A      Y   177_A     0.443     0    0.030   0.104     1.019  100.000   92.897
LGA    V   178_A      V   178_A     0.413     0    0.059   1.044     2.513  100.000   88.844
LGA    A   179_A      A   179_A     0.421     0    0.038   0.048     0.483  100.000  100.000
LGA    K   180_A      K   180_A     0.314     0    0.067   0.451     1.265  100.000   94.762
LGA    P   181_A      P   181_A     0.387     0    0.047   0.064     0.530   97.619   98.639
LGA    V   182_A      V   182_A     0.483     0    0.037   1.160     2.581  100.000   87.483
LGA    D   183_A      D   183_A     0.776     0    0.069   0.652     3.683   90.476   73.155
LGA    A   184_A      A   184_A     0.303     0    0.052   0.059     0.490  100.000  100.000
LGA    D   185_A      D   185_A     0.595     0    0.031   0.484     2.239   90.476   83.869
LGA    Q   186_A      Q   186_A     0.644     0    0.040   1.166     5.567   92.857   72.381
LGA    L   187_A      L   187_A     0.348     0    0.034   0.074     0.719  100.000   97.619
LGA    V   188_A      V   188_A     0.298     0    0.043   0.202     0.827  100.000   98.639
LGA    E   189_A      E   189_A     0.390     0    0.058   0.343     1.872  100.000   89.735
LGA    R   190_A      R   190_A     0.402     0    0.037   1.004     3.100  100.000   89.437
LGA    A   191_A      A   191_A     0.295     0    0.073   0.073     0.363  100.000  100.000
LGA    G   192_A      G   192_A     0.357     0    0.102   0.102     0.884   95.238   95.238
LGA    A   193_A      A   193_A     0.258     0    0.041   0.047     0.425  100.000  100.000
LGA    L   194_A      L   194_A     0.268     0    0.046   0.755     1.675   97.619   90.714
LGA    I   195_A      I   195_A     0.933     0    0.688   0.601     3.360   80.476   78.810
LGA    G   196_A      G   196_A     0.553     0    0.561   0.561     4.668   63.333   63.333
LGA    F   197_A      F   197_A     7.607     0    0.633   1.223     9.041   10.357   11.732
LGA    P   198_A      P   198_A    11.572     0    0.673   0.895    12.515    0.000    0.000
LGA    E   199_A      E   199_A    13.772     0    0.070   1.187    19.993    0.000    0.000
LGA    G   200_A      G   200_A    13.902     0    0.432   0.432    13.902    0.000    0.000
LGA    N   201_A      N   201_A    11.168     0    0.608   0.928    14.614    0.000    1.726
LGA    S   202_A      S   202_A    16.293     0    0.633   0.771    18.861    0.000    0.000
LGA    M   203_A      M   203_A    18.490     0    0.657   1.057    24.998    0.000    0.000
LGA    M   204_A      M   204_A    15.856     0    0.592   1.685    17.766    0.000    0.000
LGA    I   205_A      I   205_A    20.379     0    0.439   1.342    23.843    0.000    0.000
LGA    A   206_A      A   206_A    24.038     0    0.058   0.060    26.969    0.000    0.000
LGA    L   207_A      L   207_A    24.684     0    0.633   1.061    24.684    0.000    0.000
LGA    G   208_A      G   208_A    23.634     0    0.632   0.632    23.937    0.000    0.000
LGA    V   209_A      V   209_A    24.409     0    0.602   0.907    27.521    0.000    0.000
LGA    A   210_A      A   210_A    26.646     0    0.593   0.591    26.646    0.000    0.000
LGA    C   211_A      C   211_A    23.642     0    0.064   0.791    24.486    0.000    0.000
LGA    A   212_A      A   212_A    21.273     0    0.617   0.601    23.113    0.000    0.000
LGA    I   213_A      I   213_A    22.178     0    0.605   0.730    23.263    0.000    0.000
LGA    A   214_A      A   214_A    20.512     0    0.575   0.574    21.764    0.000    0.000
LGA    L   215_A      L   215_A    18.358     0    0.662   0.728    21.404    0.000    0.000
LGA    A   216_A      A   216_A    23.652     0    0.612   0.601    25.578    0.000    0.000
LGA    I   217_A      I   217_A    29.668     0    0.611   0.753    33.543    0.000    0.000
LGA    A   218_A      A   218_A    31.452     0    0.600   0.595    33.401    0.000    0.000
LGA    A   219_A      A   219_A    33.280     0    0.666   0.618    35.906    0.000    0.000
LGA    V   220_A      V   220_A    39.197     0    0.668   0.756    43.029    0.000    0.000
LGA    Y   221_A      Y   221_A    45.613     0    0.687   1.438    54.022    0.000    0.000
LGA    F   222_A      F   222_A    47.780     0    0.209   1.263    49.954    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      222     888    888  100.00    1696   1696  100.00               222
SUMMARY(RMSD_GDC):    14.456         14.445                 15.088           51.778   48.787

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  222    4.0    121    0.84    53.941    48.766    12.884

LGA_LOCAL      RMSD:   0.839  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.648  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  14.456  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.509478 * X  +   0.507119 * Y  +  -0.695171 * Z  +  12.258825
  Y_new =   0.132300 * X  +   0.752113 * Y  +   0.645618 * Z  +  25.691481
  Z_new =   0.850252 * X  +  -0.420899 * Y  +   0.316093 * Z  +  32.989834 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.254065 -1.016465 -0.926658   [DEG:   14.5569  -58.2391  -53.0936 ]
ZXZ: -2.319253  1.249187  2.030458   [DEG: -132.8834   71.5732  116.3367 ]
 
# END of job
