
#######################################################
#                                                     #
#                        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:   146      63_A - 208_A       4.92    18.97
  LONGEST_CONTINUOUS_SEGMENT:   146      64_A - 209_A       4.82    18.89
  LONGEST_CONTINUOUS_SEGMENT:   146      65_A - 210_A       4.86    18.77
  LONGEST_CONTINUOUS_SEGMENT:   146      66_A - 211_A       4.88    18.69
  LONGEST_CONTINUOUS_SEGMENT:   146      67_A - 212_A       4.87    18.58
  LONGEST_CONTINUOUS_SEGMENT:   146      68_A - 213_A       4.96    18.36
  LCS_AVERAGE:     56.63

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132      71_A - 202_A       1.99    21.17
  LCS_AVERAGE:     42.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126      74_A - 199_A       0.96    21.67
  LONGEST_CONTINUOUS_SEGMENT:   126      75_A - 200_A       0.82    21.42
  LCS_AVERAGE:     35.84

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    5   81      3    4    4    4    5    7   10   12   14   18   24   42   52   68   79   93  111  120  133  138 
LCS_GDT     P     2_A     P     2_A      4   23   84      3    4    4    4    5    7   11   13   28   53   59   61   70   73   73   75   78   78   88  104 
LCS_GDT     H     3_A     H     3_A     17   41   84      3    4    9   17   24   28   46   52   59   64   70   72   76   79   87   90   94   96  101  103 
LCS_GDT     M     4_A     M     4_A     20   41   84      7   15   20   24   31   42   49   54   63   66   70   74   81   84   87   90   94   97  101  103 
LCS_GDT     E     5_A     E     5_A     20   41   84      7   15   21   26   34   42   49   57   63   66   72   74   81   84   87   90   94   97  101  103 
LCS_GDT     Q     6_A     Q     6_A     20   41   84      7   15   23   31   35   43   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     L     7_A     L     7_A     21   41   84      7   15   23   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     E     8_A     E     8_A     21   41   84      7   15   22   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     G     9_A     G     9_A     21   41   84      7   17   23   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     I    10_A     I    10_A     21   41   84      7   17   23   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     M    11_A     M    11_A     21   41   84      6   12   22   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     L    12_A     L    12_A     21   41   84      7   17   23   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     S    13_A     S    13_A     21   41   84      7   17   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     P    14_A     P    14_A     21   41   84     10   17   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     A    15_A     A    15_A     21   41   84     10   17   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     F    16_A     F    16_A     21   41   84     10   17   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     Q    17_A     Q    17_A     21   41   84     10   17   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     E    18_A     E    18_A     21   41   84     10   17   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     Q    19_A     Q    19_A     21   41   84     10   17   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     M    20_A     M    20_A     21   41   84     10   17   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     N    21_A     N    21_A     21   41   84     10   17   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     A    22_A     A    22_A     21   41   84     10   17   24   31   35   44   50   57   63   66   72   74   81   85   87   90   94   97  101  103 
LCS_GDT     L    23_A     L    23_A     21   41   84     10   17   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     M    24_A     M    24_A     21   41   84      9   16   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     L    25_A     L    25_A     21   41   84      9   17   24   31   35   44   50   57   63   66   72   74   81   85   87   90   94   97  101  103 
LCS_GDT     D    26_A     D    26_A     21   41   84      4   11   24   31   35   44   50   57   63   66   72   74   81   85   87   90   94   97  101  103 
LCS_GDT     P    27_A     P    27_A     21   41   84      4   17   23   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     R    28_A     R    28_A     21   41   84      9   16   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     M    29_A     M    29_A     20   41   84      9   12   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     L    30_A     L    30_A     16   41   84      9   12   23   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     D    31_A     D    31_A     16   41   84      9   17   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     M    32_A     M    32_A     16   41   84      9   12   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     M    33_A     M    33_A     16   41   84      9   12   22   31   35   43   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     I    34_A     I    34_A     16   41   84      9   13   23   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     D    35_A     D    35_A     16   41   84      9   16   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     Q    36_A     Q    36_A     16   41   84      9   12   23   30   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     N    37_A     N    37_A     16   41   84      6   12   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     P    38_A     P    38_A     16   41   84      6   12   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     Q    39_A     Q    39_A     16   41   84      5   12   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     L    40_A     L    40_A     16   41   84      5   13   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     R    41_A     R    41_A     16   41   84      4   13   24   31   35   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     N    42_A     N    42_A     14   41   84      3   11   18   23   34   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     M    43_A     M    43_A     12   41   84      6   11   18   26   34   44   50   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     G    44_A     G    44_A     12   41   84      7   11   18   23   34   44   50   57   63   66   72   75   81   85   87   90   94   97  101  144 
LCS_GDT     P    45_A     P    45_A     12   41   84      7   11   18   23   31   44   50   57   63   66   72   77   92  104  117  129  137  140  143  145 
LCS_GDT     E    46_A     E    46_A     11   35   84      7   11   18   23   31   43   50   57   63   82   93  111  125  132  135  137  138  142  143  145 
LCS_GDT     A    47_A     A    47_A     11   32   84      7   11   18   23   31   41   50   57   64   85  104  116  129  132  135  137  138  142  143  145 
LCS_GDT     R    48_A     R    48_A     11   32   84      7   11   18   23   34   44   50   57   63   66   72   86  100  118  129  135  138  142  143  145 
LCS_GDT     Q    49_A     Q    49_A     12   32   84      7   10   18   23   33   44   50   57   63   66   75   89  109  121  128  133  138  142  143  145 
LCS_GDT     M    50_A     M    50_A     12   32   84      7   11   18   23   31   37   45   53   73   91  108  121  127  130  134  136  138  142  143  145 
LCS_GDT     L    51_A     L    51_A     12   32   84      8   10   14   19   25   34   42   48   57   66   89  106  119  128  132  134  138  142  143  145 
LCS_GDT     R    52_A     R    52_A     12   32   84      8   10   14   16   22   28   42   48   57   66   72   74   87   98  107  112  131  133  136  140 
LCS_GDT     P    53_A     P    53_A     12   32   84      8   10   14   20   32   44   50   57   63   66   72   75   85   97  115  124  131  134  137  139 
LCS_GDT     M    54_A     M    54_A     12   32   84      8   10   14   23   34   44   50   57   63   66   72   75  112  124  129  131  132  136  137  139 
LCS_GDT     F    55_A     F    55_A     12   30   84      8   10   14   16   22   25   45   53   63   66   72   75   85   97  115  124  131  133  137  139 
LCS_GDT     R    56_A     R    56_A     12   21   84      8   10   14   16   22   25   32   43   57   66   72   75   81   85   87   90   94   97  102  137 
LCS_GDT     E    57_A     E    57_A     12   21   84      7   10   18   19   22   44   50   57   63   66   72   75   81   85   87  102  127  136  137  139 
LCS_GDT     M    58_A     M    58_A     12   21   84      8   10   14   24   34   44   50   57   63   66   72   75   81   85   92  110  134  136  137  139 
LCS_GDT     M    59_A     M    59_A     12   21   84      8   10   14   16   22   25   32   37   49   64   72   74   81   85   87   90   94   97  101  103 
LCS_GDT     S    60_A     S    60_A     12   21   84      7   10   14   16   22   25   32   37   42   52   69   74   81   85   87   90   94   97  101  103 
LCS_GDT     N    61_A     N    61_A     12   21  143      4    9   14   16   22   25   34   57   63   66   72   75   81   85   87   90   94   97  101  122 
LCS_GDT     P    62_A     P    62_A     15   21  144      7   12   14   20   24   32   43   57   63   66   72   75   81   85   87   90   94   97  101  103 
LCS_GDT     E    63_A     E    63_A     15   21  146      7   12   14   20   24   32   36   54   63   66   72   75   81   85   87   90   99  124  136  138 
LCS_GDT     S    64_A     S    64_A     15   21  146      7   12   14   20   24   32   37   54   63   66   90  111  123  130  132  133  134  136  137  139 
LCS_GDT     M    65_A     M    65_A     15   21  146      7   12   14   20   29   43   50   57   63   66   72   75   81   98  126  132  134  136  137  139 
LCS_GDT     R    66_A     R    66_A     15   21  146      7   12   14   20   30   44   50   57   63   66   72   75   81   85   87   98  121  134  136  138 
LCS_GDT     S    67_A     S    67_A     15   21  146      7   12   14   20   26   43   49   57   63   66   78  102  121  130  132  133  134  136  137  139 
LCS_GDT     M    68_A     M    68_A     15   21  146      7   12   14   20   24   39   62   95  112  124  127  128  128  130  132  133  134  136  137  139 
LCS_GDT     M    69_A     M    69_A     15   21  146      7   12   14   22   31   43   50   57   63   66   98  113  124  130  132  133  134  136  137  139 
LCS_GDT     N    70_A     N    70_A     15  130  146      7   12   14   22   27   43   49   57   63   66   72   84  111  127  132  133  134  136  137  139 
LCS_GDT     M    71_A     M    71_A     15  132  146      6   12   14   20   56   78  109  123  126  126  127  128  129  130  132  133  134  136  137  139 
LCS_GDT     G    72_A     G    72_A     15  132  146      6   12   14   20   53  103  124  125  126  126  127  128  129  131  133  134  138  141  143  143 
LCS_GDT     R    73_A     R    73_A     15  132  146      7   12   14   17   24   32   51   76  108  123  127  128  129  130  132  133  134  136  137  139 
LCS_GDT     A    74_A     A    74_A    126  132  146      4   11   14   19   24   30   36   43   55   63   72  128  129  130  130  133  133  134  135  138 
LCS_GDT     W    75_A     W    75_A    126  132  146      3   11  105  120  124  124  125  125  126  126  127  128  129  130  132  133  133  134  136  139 
LCS_GDT     G    76_A     G    76_A    126  132  146     11   78  121  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     S    77_A     S    77_A    126  132  146     29  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     K    78_A     K    78_A    126  132  146     51  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     K    79_A     K    79_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     I    80_A     I    80_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L    81_A     L    81_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     I    82_A     I    82_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     V    83_A     V    83_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     E    84_A     E    84_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     S    85_A     S    85_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D    86_A     D    86_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     T    87_A     T    87_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A    88_A     A    88_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L    89_A     L    89_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     S    90_A     S    90_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A    91_A     A    91_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     T    92_A     T    92_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L    93_A     L    93_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     R    94_A     R    94_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     S    95_A     S    95_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A    96_A     A    96_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L    97_A     L    97_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     E    98_A     E    98_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     G    99_A     G    99_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     R   100_A     R   100_A    126  132  146     90  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     G   101_A     G   101_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     F   102_A     F   102_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     T   103_A     T   103_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     V   104_A     V   104_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   105_A     D   105_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     E   106_A     E   106_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     T   107_A     T   107_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     T   108_A     T   108_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   109_A     D   109_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     G   110_A     G   110_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     K   111_A     K   111_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     G   112_A     G   112_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     S   113_A     S   113_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     V   114_A     V   114_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     E   115_A     E   115_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     Q   116_A     Q   116_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     I   117_A     I   117_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     R   118_A     R   118_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     R   119_A     R   119_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   120_A     D   120_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     R   121_A     R   121_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     P   122_A     P   122_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   123_A     D   123_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L   124_A     L   124_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     V   125_A     V   125_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     V   126_A     V   126_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L   127_A     L   127_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A   128_A     A   128_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     V   129_A     V   129_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   130_A     D   130_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L   131_A     L   131_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     S   132_A     S   132_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A   133_A     A   133_A    126  132  146     81  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     G   134_A     G   134_A    126  132  146     17  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     Q   135_A     Q   135_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     N   136_A     N   136_A    126  132  146     88  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     G   137_A     G   137_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     Y   138_A     Y   138_A    126  132  146     97  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L   139_A     L   139_A    126  132  146     73  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     I   140_A     I   140_A    126  132  146     97  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     C   141_A     C   141_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     G   142_A     G   142_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     K   143_A     K   143_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L   144_A     L   144_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     K   145_A     K   145_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     K   146_A     K   146_A    126  132  146     97  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   147_A     D   147_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   148_A     D   148_A    126  132  146     97  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   149_A     D   149_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L   150_A     L   150_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     K   151_A     K   151_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     N   152_A     N   152_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     V   153_A     V   153_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     P   154_A     P   154_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     I   155_A     I   155_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     V   156_A     V   156_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     I   157_A     I   157_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     I   158_A     I   158_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     G   159_A     G   159_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     N   160_A     N   160_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     P   161_A     P   161_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   162_A     D   162_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     G   163_A     G   163_A    126  132  146     76  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     F   164_A     F   164_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A   165_A     A   165_A    126  132  146     87  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     Q   166_A     Q   166_A    126  132  146     48  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     H   167_A     H   167_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     R   168_A     R   168_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     K   169_A     K   169_A    126  132  146     82  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L   170_A     L   170_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     K   171_A     K   171_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A   172_A     A   172_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     H   173_A     H   173_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A   174_A     A   174_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   175_A     D   175_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     E   176_A     E   176_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     Y   177_A     Y   177_A    126  132  146     88  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     V   178_A     V   178_A    126  132  146     88  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A   179_A     A   179_A    126  132  146     97  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     K   180_A     K   180_A    126  132  146     88  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     P   181_A     P   181_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     V   182_A     V   182_A    126  132  146     97  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   183_A     D   183_A    126  132  146     89  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A   184_A     A   184_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     D   185_A     D   185_A    126  132  146     93  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     Q   186_A     Q   186_A    126  132  146     73  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L   187_A     L   187_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     V   188_A     V   188_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     E   189_A     E   189_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     R   190_A     R   190_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A   191_A     A   191_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     G   192_A     G   192_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A   193_A     A   193_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L   194_A     L   194_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     I   195_A     I   195_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     G   196_A     G   196_A    126  132  146     69  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     F   197_A     F   197_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     P   198_A     P   198_A    126  132  146     98  121  123  124  124  124  125  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     E   199_A     E   199_A    126  132  146     54  121  123  124  124  124  125  125  126  126  128  130  131  133  135  137  138  142  143  145 
LCS_GDT     G   200_A     G   200_A    126  132  146      4    4   15   43   93  117  124  125  126  126  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     N   201_A     N   201_A     22  132  146     17   20   21   22   22   22   22   22   24   51  128  130  131  133  135  137  138  142  143  145 
LCS_GDT     S   202_A     S   202_A     22  132  146     17   20   21   22   22   22   22   22  113  125  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     M   203_A     M   203_A     22  131  146     17   20   21   22   22   22   22   22  111  125  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     M   204_A     M   204_A     22  130  146     17   20   21   22   22   22   61   89  112  125  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     I   205_A     I   205_A     22  130  146     17   20   21   22   22   33   48   77  108  125  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     A   206_A     A   206_A     22   23  146     17   20   21   22   28   39   65   84  108  121  129  130  131  133  135  137  138  142  143  145 
LCS_GDT     L   207_A     L   207_A     22   23  146     17   20   21   22   26   35   48   70   89  109  123  129  130  133  135  137  138  142  143  145 
LCS_GDT     G   208_A     G   208_A     22   23  146     17   20   21   22   23   39   49   57   73   89  108  122  129  133  135  137  138  142  143  145 
LCS_GDT     V   209_A     V   209_A     22   23  146     17   20   21   24   29   40   46   54   59   67   87  103  119  130  135  137  138  142  143  145 
LCS_GDT     A   210_A     A   210_A     22   23  146     17   20   21   24   27   33   37   49   59   78   91  109  123  132  135  137  138  142  143  145 
LCS_GDT     C   211_A     C   211_A     22   23  146     17   20   21   22   22   23   30   41   60   66   70   86  100  118  129  135  138  142  143  145 
LCS_GDT     A   212_A     A   212_A     22   23  146     17   20   21   22   22   22   22   28   34   44   57   65   79   92  106  121  135  140  143  145 
LCS_GDT     I   213_A     I   213_A     22   23  146     17   20   21   22   22   22   22   27   33   44   55   62   75   90  103  119  130  140  143  145 
LCS_GDT     A   214_A     A   214_A     22   23  144     17   20   21   22   22   22   22   27   33   44   51   61   70   85  101  110  125  137  142  145 
LCS_GDT     L   215_A     L   215_A     22   23  142     17   20   21   22   22   22   22   27   30   34   39   44   53   67   77   90  100  113  126  138 
LCS_GDT     A   216_A     A   216_A     22   23   36     17   20   21   22   22   22   22   24   29   34   38   44   48   56   64   78   88  101  114  123 
LCS_GDT     I   217_A     I   217_A     22   23   36     15   20   21   22   22   22   22   24   29   34   38   44   48   53   65   77   90  104  115  125 
LCS_GDT     A   218_A     A   218_A     22   23   36     17   20   21   22   22   22   22   24   29   34   38   42   46   51   62   75   81   89  102  112 
LCS_GDT     A   219_A     A   219_A     22   23   36     11   20   21   22   22   22   22   24   28   34   38   41   46   50   54   64   71   78   90   97 
LCS_GDT     V   220_A     V   220_A     22   23   36      8   16   21   22   22   22   22   24   28   34   37   41   46   49   54   62   71   78   83   92 
LCS_GDT     Y   221_A     Y   221_A     22   23   36     17   20   21   22   22   22   22   23   28   34   37   40   46   49   54   64   71   78   83   95 
LCS_GDT     F   222_A     F   222_A     22   23   36      4    4    7   22   22   22   22   22   25   31   33   37   40   44   48   58   64   66   81   84 
LCS_AVERAGE  LCS_A:  44.85  (  35.84   42.09   56.63 )

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     98    121    123    124    124    124    125    125    126    126    129    130    131    133    135    137    138    142    143    145 
GDT PERCENT_AT  44.14  54.50  55.41  55.86  55.86  55.86  56.31  56.31  56.76  56.76  58.11  58.56  59.01  59.91  60.81  61.71  62.16  63.96  64.41  65.32
GDT RMS_LOCAL    0.31   0.40   0.43   0.49   0.49   0.49   0.57   0.57   0.82   0.82   2.11   1.99   2.20   2.71   3.60   3.65   3.69   4.47   4.50   4.97
GDT RMS_ALL_AT  21.49  21.55  21.52  21.44  21.44  21.44  21.55  21.55  21.42  21.42  20.35  20.55  20.34  19.78  18.54  18.60  18.37  17.32  17.31  17.00

# Checking swapping
#   possible swapping detected:  E     8_A      E     8_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  E    98_A      E    98_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:  E   115_A      E   115_A
#   possible swapping detected:  D   148_A      D   148_A
#   possible swapping detected:  D   149_A      D   149_A
#   possible swapping detected:  Y   177_A      Y   177_A
#   possible swapping detected:  D   183_A      D   183_A
#   possible swapping detected:  D   185_A      D   185_A
#   possible swapping detected:  E   189_A      E   189_A
#   possible swapping detected:  E   199_A      E   199_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    20.596     0    0.256   0.256    23.111    0.000    0.000
LGA    P     2_A      P     2_A    24.889     0    0.035   0.361    25.453    0.000    0.000
LGA    H     3_A      H     3_A    26.250     0    0.206   1.018    28.068    0.000    0.000
LGA    M     4_A      M     4_A    25.634     0    0.254   0.578    28.390    0.000    0.000
LGA    E     5_A      E     5_A    31.402     0    0.065   1.310    34.893    0.000    0.000
LGA    Q     6_A      Q     6_A    36.345     0    0.024   0.807    42.772    0.000    0.000
LGA    L     7_A      L     7_A    32.528     0    0.056   0.094    33.349    0.000    0.000
LGA    E     8_A      E     8_A    31.686     0    0.058   1.029    35.144    0.000    0.000
LGA    G     9_A      G     9_A    39.076     0    0.033   0.033    41.602    0.000    0.000
LGA    I    10_A      I    10_A    40.366     0    0.017   0.095    41.428    0.000    0.000
LGA    M    11_A      M    11_A    35.557     0    0.028   0.904    36.797    0.000    0.000
LGA    L    12_A      L    12_A    39.226     0    0.033   0.130    43.542    0.000    0.000
LGA    S    13_A      S    13_A    45.655     0    0.039   0.075    46.516    0.000    0.000
LGA    P    14_A      P    14_A    49.813     0    0.010   0.031    52.488    0.000    0.000
LGA    A    15_A      A    15_A    51.429     0    0.024   0.035    52.723    0.000    0.000
LGA    F    16_A      F    16_A    44.720     0    0.049   1.394    46.976    0.000    0.000
LGA    Q    17_A      Q    17_A    43.412     0    0.020   0.687    45.017    0.000    0.000
LGA    E    18_A      E    18_A    49.210     0    0.037   1.075    56.203    0.000    0.000
LGA    Q    19_A      Q    19_A    48.368     0    0.076   0.215    53.392    0.000    0.000
LGA    M    20_A      M    20_A    41.896     0    0.044   0.369    44.000    0.000    0.000
LGA    N    21_A      N    21_A    43.647     0    0.016   0.704    45.299    0.000    0.000
LGA    A    22_A      A    22_A    49.094     0    0.042   0.040    51.324    0.000    0.000
LGA    L    23_A      L    23_A    45.740     0    0.030   1.480    46.530    0.000    0.000
LGA    M    24_A      M    24_A    40.837     0    0.100   0.744    42.536    0.000    0.000
LGA    L    25_A      L    25_A    45.336     0    0.142   1.298    48.817    0.000    0.000
LGA    D    26_A      D    26_A    48.641     0    0.022   1.049    53.397    0.000    0.000
LGA    P    27_A      P    27_A    44.164     0    0.124   0.374    47.244    0.000    0.000
LGA    R    28_A      R    28_A    48.861     0    0.097   1.223    60.492    0.000    0.000
LGA    M    29_A      M    29_A    45.856     0    0.033   1.217    47.027    0.000    0.000
LGA    L    30_A      L    30_A    38.755     0    0.024   0.293    41.385    0.000    0.000
LGA    D    31_A      D    31_A    41.656     0    0.021   1.096    43.588    0.000    0.000
LGA    M    32_A      M    32_A    45.645     0    0.016   0.176    53.191    0.000    0.000
LGA    M    33_A      M    33_A    39.373     0    0.013   1.085    41.536    0.000    0.000
LGA    I    34_A      I    34_A    36.133     0    0.022   0.082    38.180    0.000    0.000
LGA    D    35_A      D    35_A    42.903     0    0.050   1.091    45.332    0.000    0.000
LGA    Q    36_A      Q    36_A    43.211     0    0.050   0.965    45.560    0.000    0.000
LGA    N    37_A      N    37_A    37.720     0    0.043   1.107    39.371    0.000    0.000
LGA    P    38_A      P    38_A    40.639     0    0.045   0.060    42.857    0.000    0.000
LGA    Q    39_A      Q    39_A    34.114     0    0.143   0.651    36.201    0.000    0.000
LGA    L    40_A      L    40_A    31.892     0    0.116   0.180    33.866    0.000    0.000
LGA    R    41_A      R    41_A    38.258     0    0.094   1.277    49.013    0.000    0.000
LGA    N    42_A      N    42_A    37.065     0    0.061   1.042    41.939    0.000    0.000
LGA    M    43_A      M    43_A    30.378     0    0.027   0.976    33.054    0.000    0.000
LGA    G    44_A      G    44_A    31.017     0    0.050   0.050    31.017    0.000    0.000
LGA    P    45_A      P    45_A    31.761     0    0.019   0.242    34.756    0.000    0.000
LGA    E    46_A      E    46_A    24.860     0    0.014   0.697    27.440    0.000    0.000
LGA    A    47_A      A    47_A    22.151     0    0.010   0.027    23.460    0.000    0.000
LGA    R    48_A      R    48_A    27.597     0    0.033   0.390    38.098    0.000    0.000
LGA    Q    49_A      Q    49_A    27.093     0    0.067   1.182    28.784    0.000    0.000
LGA    M    50_A      M    50_A    20.383     0    0.210   0.897    22.525    0.000    0.000
LGA    L    51_A      L    51_A    22.567     0    0.135   0.163    24.124    0.000    0.000
LGA    R    52_A      R    52_A    27.696     0    0.031   1.317    37.825    0.000    0.000
LGA    P    53_A      P    53_A    25.688     0    0.038   0.071    26.139    0.000    0.000
LGA    M    54_A      M    54_A    20.967     0    0.080   1.158    22.423    0.000    0.000
LGA    F    55_A      F    55_A    24.617     0    0.015   1.389    28.530    0.000    0.000
LGA    R    56_A      R    56_A    29.363     0    0.056   1.166    34.926    0.000    0.000
LGA    E    57_A      E    57_A    26.308     0    0.049   0.712    26.944    0.000    0.000
LGA    M    58_A      M    58_A    23.755     0    0.028   0.177    25.626    0.000    0.000
LGA    M    59_A      M    59_A    29.164     0    0.014   0.992    31.996    0.000    0.000
LGA    S    60_A      S    60_A    32.199     0    0.110   0.186    32.984    0.000    0.000
LGA    N    61_A      N    61_A    29.107     0    0.039   0.868    29.639    0.000    0.000
LGA    P    62_A      P    62_A    28.837     0    0.403   0.587    32.300    0.000    0.000
LGA    E    63_A      E    63_A    24.808     0    0.018   1.266    26.571    0.000    0.000
LGA    S    64_A      S    64_A    19.003     0    0.069   0.100    21.386    0.000    0.000
LGA    M    65_A      M    65_A    21.050     0    0.016   0.831    29.046    0.000    0.000
LGA    R    66_A      R    66_A    21.954     0    0.018   1.307    33.791    0.000    0.000
LGA    S    67_A      S    67_A    16.345     0    0.058   0.172    18.577    0.000    0.000
LGA    M    68_A      M    68_A    12.171     0    0.037   1.031    14.190    0.000    0.000
LGA    M    69_A      M    69_A    15.627     0    0.012   0.951    23.781    0.000    0.000
LGA    N    70_A      N    70_A    14.847     0    0.030   1.109    20.858    0.000    0.000
LGA    M    71_A      M    71_A     7.839     0    0.085   0.946    10.530   13.929   16.488
LGA    G    72_A      G    72_A     7.110     0    0.025   0.025     7.496   12.857   12.857
LGA    R    73_A      R    73_A     9.814     0    0.035   1.091    21.934    2.381    0.866
LGA    A    74_A      A    74_A     8.840     0    0.062   0.065    10.229    6.548    5.238
LGA    W    75_A      W    75_A     3.230     0    0.104   1.192    10.373   50.833   23.265
LGA    G    76_A      G    76_A     2.786     0    0.186   0.186     4.561   59.048   59.048
LGA    S    77_A      S    77_A     0.833     0    0.030   0.181     1.522   85.952   83.016
LGA    K    78_A      K    78_A     0.774     0    0.081   0.695     1.787   92.857   86.561
LGA    K    79_A      K    79_A     0.204     0    0.052   0.686     1.508  100.000   92.804
LGA    I    80_A      I    80_A     0.084     0    0.012   0.123     0.432  100.000  100.000
LGA    L    81_A      L    81_A     0.167     0    0.039   0.063     0.262  100.000  100.000
LGA    I    82_A      I    82_A     0.046     0    0.005   0.060     0.272  100.000  100.000
LGA    V    83_A      V    83_A     0.086     0    0.019   0.034     0.116  100.000  100.000
LGA    E    84_A      E    84_A     0.131     0    0.057   0.171     0.571  100.000   98.942
LGA    S    85_A      S    85_A     0.433     0    0.040   0.068     0.623  100.000   96.825
LGA    D    86_A      D    86_A     0.254     0    0.029   0.097     0.451  100.000  100.000
LGA    T    87_A      T    87_A     0.314     0    0.087   0.139     0.501  100.000   98.639
LGA    A    88_A      A    88_A     0.306     0    0.026   0.036     0.336  100.000  100.000
LGA    L    89_A      L    89_A     0.228     0    0.066   0.104     0.305  100.000  100.000
LGA    S    90_A      S    90_A     0.132     0    0.088   0.094     0.489  100.000  100.000
LGA    A    91_A      A    91_A     0.288     0    0.029   0.027     0.335  100.000  100.000
LGA    T    92_A      T    92_A     0.382     0    0.036   0.137     0.622  100.000   98.639
LGA    L    93_A      L    93_A     0.250     0    0.039   0.068     0.383  100.000  100.000
LGA    R    94_A      R    94_A     0.139     0    0.065   1.099     5.994  100.000   79.048
LGA    S    95_A      S    95_A     0.386     0    0.020   0.623     2.449  100.000   92.540
LGA    A    96_A      A    96_A     0.277     0    0.021   0.023     0.324  100.000  100.000
LGA    L    97_A      L    97_A     0.113     0    0.035   0.075     0.320  100.000  100.000
LGA    E    98_A      E    98_A     0.162     0    0.031   0.101     0.363  100.000  100.000
LGA    G    99_A      G    99_A     0.316     0    0.015   0.015     0.383  100.000  100.000
LGA    R   100_A      R   100_A     0.572     0    0.112   1.173     5.359   92.857   71.688
LGA    G   101_A      G   101_A     0.516     0    0.043   0.043     0.516   97.619   97.619
LGA    F   102_A      F   102_A     0.234     0    0.034   0.053     0.416  100.000  100.000
LGA    T   103_A      T   103_A     0.157     0    0.020   0.105     0.439  100.000  100.000
LGA    V   104_A      V   104_A     0.106     0    0.049   0.072     0.305  100.000  100.000
LGA    D   105_A      D   105_A     0.081     0    0.046   0.180     0.808  100.000   98.810
LGA    E   106_A      E   106_A     0.177     0    0.007   0.326     0.998  100.000   97.884
LGA    T   107_A      T   107_A     0.054     0    0.024   0.045     0.289  100.000  100.000
LGA    T   108_A      T   108_A     0.243     0    0.059   0.207     0.827  100.000   95.918
LGA    D   109_A      D   109_A     0.087     0    0.055   0.128     0.703  100.000   98.810
LGA    G   110_A      G   110_A     0.205     0    0.040   0.040     0.384  100.000  100.000
LGA    K   111_A      K   111_A     0.128     0    0.031   0.773     2.229  100.000   91.111
LGA    G   112_A      G   112_A     0.075     0    0.063   0.063     0.116  100.000  100.000
LGA    S   113_A      S   113_A     0.203     0    0.026   0.032     0.328  100.000  100.000
LGA    V   114_A      V   114_A     0.200     0    0.016   0.059     0.293  100.000  100.000
LGA    E   115_A      E   115_A     0.454     0    0.040   0.082     0.970  100.000   94.709
LGA    Q   116_A      Q   116_A     0.394     0    0.044   0.187     0.798  100.000   97.884
LGA    I   117_A      I   117_A     0.241     0    0.017   0.098     0.460  100.000  100.000
LGA    R   118_A      R   118_A     0.101     0    0.022   0.148     0.284  100.000  100.000
LGA    R   119_A      R   119_A     0.190     0    0.059   0.539     2.579  100.000   80.823
LGA    D   120_A      D   120_A     0.313     0    0.052   0.111     0.591   97.619   97.619
LGA    R   121_A      R   121_A     0.179     0    0.019   0.419     1.457  100.000   94.892
LGA    P   122_A      P   122_A     0.203     0    0.045   0.077     0.474  100.000  100.000
LGA    D   123_A      D   123_A     0.156     0    0.028   0.063     0.344  100.000  100.000
LGA    L   124_A      L   124_A     0.209     0    0.035   0.063     0.283  100.000  100.000
LGA    V   125_A      V   125_A     0.256     0    0.034   0.048     0.318  100.000  100.000
LGA    V   126_A      V   126_A     0.172     0    0.015   0.024     0.219  100.000  100.000
LGA    L   127_A      L   127_A     0.160     0    0.016   0.054     0.231  100.000  100.000
LGA    A   128_A      A   128_A     0.412     0    0.039   0.040     0.560  100.000   98.095
LGA    V   129_A      V   129_A     0.345     0    0.012   0.075     0.503   97.619   98.639
LGA    D   130_A      D   130_A     0.415     0    0.009   0.072     0.626  100.000   96.429
LGA    L   131_A      L   131_A     0.298     0    0.014   0.112     0.395  100.000  100.000
LGA    S   132_A      S   132_A     0.375     0    0.026   0.031     0.750  100.000   96.825
LGA    A   133_A      A   133_A     0.725     0    0.053   0.058     1.275   90.595   90.571
LGA    G   134_A      G   134_A     1.213     0    0.016   0.016     1.226   83.690   83.690
LGA    Q   135_A      Q   135_A     0.357     0    0.051   0.338     2.046   97.619   89.947
LGA    N   136_A      N   136_A     0.621     0    0.076   0.243     1.765   90.476   87.143
LGA    G   137_A      G   137_A     0.486     0    0.028   0.028     0.515   97.619   97.619
LGA    Y   138_A      Y   138_A     0.520     0    0.032   0.058     0.571   92.857   96.825
LGA    L   139_A      L   139_A     0.695     0    0.042   0.071     1.178   90.476   88.214
LGA    I   140_A      I   140_A     0.525     0    0.039   0.068     0.645   92.857   94.048
LGA    C   141_A      C   141_A     0.464     0    0.067   0.079     0.524   97.619   98.413
LGA    G   142_A      G   142_A     0.362     0    0.024   0.024     0.457  100.000  100.000
LGA    K   143_A      K   143_A     0.450     0    0.039   0.322     1.050  100.000   94.815
LGA    L   144_A      L   144_A     0.357     0    0.026   0.047     0.419  100.000  100.000
LGA    K   145_A      K   145_A     0.463     0    0.017   0.111     0.559   95.238   96.825
LGA    K   146_A      K   146_A     0.592     0    0.024   0.604     2.602   95.238   86.931
LGA    D   147_A      D   147_A     0.381     0    0.000   0.093     0.476  100.000  100.000
LGA    D   148_A      D   148_A     0.520     0    0.016   0.609     2.236   97.619   89.702
LGA    D   149_A      D   149_A     0.350     0    0.090   0.291     1.024   97.619   96.488
LGA    L   150_A      L   150_A     0.080     0    0.057   1.134     2.440  100.000   90.000
LGA    K   151_A      K   151_A     0.291     0    0.042   0.786     4.049  100.000   84.603
LGA    N   152_A      N   152_A     0.406     0    0.064   0.103     1.204  100.000   92.976
LGA    V   153_A      V   153_A     0.159     0    0.010   0.064     0.409  100.000  100.000
LGA    P   154_A      P   154_A     0.087     0    0.014   0.234     0.732  100.000   98.639
LGA    I   155_A      I   155_A     0.163     0    0.023   0.252     0.771  100.000   97.619
LGA    V   156_A      V   156_A     0.065     0    0.014   0.060     0.231  100.000  100.000
LGA    I   157_A      I   157_A     0.097     0    0.033   0.521     1.592  100.000   96.607
LGA    I   158_A      I   158_A     0.407     0    0.053   0.077     0.602  100.000   96.429
LGA    G   159_A      G   159_A     0.233     0    0.049   0.049     0.369  100.000  100.000
LGA    N   160_A      N   160_A     0.224     0    0.021   0.085     0.387  100.000  100.000
LGA    P   161_A      P   161_A     0.458     0    0.136   0.132     0.602  100.000   97.279
LGA    D   162_A      D   162_A     0.457     0    0.058   1.036     4.466   97.619   77.321
LGA    G   163_A      G   163_A     0.654     0    0.121   0.121     0.654   95.238   95.238
LGA    F   164_A      F   164_A     0.452     0    0.029   0.105     0.629   97.619   93.074
LGA    A   165_A      A   165_A     0.634     0    0.042   0.039     0.863   90.476   90.476
LGA    Q   166_A      Q   166_A     0.787     0    0.033   0.951     2.753   90.476   82.804
LGA    H   167_A      H   167_A     0.467     0    0.074   0.181     1.046   97.619   91.524
LGA    R   168_A      R   168_A     0.326     0    0.063   0.759     2.345   95.238   85.065
LGA    K   169_A      K   169_A     0.780     0    0.013   0.593     4.035   90.476   79.577
LGA    L   170_A      L   170_A     0.286     0    0.029   0.114     0.389  100.000  100.000
LGA    K   171_A      K   171_A     0.518     0    0.010   0.208     1.941   92.857   86.614
LGA    A   172_A      A   172_A     0.340     0    0.174   0.176     0.973   97.619   98.095
LGA    H   173_A      H   173_A     0.322     0    0.027   1.145     2.439  100.000   89.238
LGA    A   174_A      A   174_A     0.259     0    0.041   0.063     0.686   97.619   98.095
LGA    D   175_A      D   175_A     0.393     0    0.096   0.173     0.587   97.619   98.810
LGA    E   176_A      E   176_A     0.506     0    0.057   0.680     1.674   95.238   90.741
LGA    Y   177_A      Y   177_A     0.641     0    0.034   0.111     0.839   90.476   90.476
LGA    V   178_A      V   178_A     0.624     0    0.035   0.066     0.807   92.857   91.837
LGA    A   179_A      A   179_A     0.520     0    0.011   0.026     0.670   90.476   92.381
LGA    K   180_A      K   180_A     0.592     0    0.038   0.378     1.065   90.476   91.587
LGA    P   181_A      P   181_A     0.384     0    0.026   0.043     0.482  100.000  100.000
LGA    V   182_A      V   182_A     0.562     0    0.063   1.162     2.976   97.619   87.279
LGA    D   183_A      D   183_A     0.668     0    0.015   0.711     3.927   90.595   75.179
LGA    A   184_A      A   184_A     0.266     0    0.023   0.025     0.477  100.000  100.000
LGA    D   185_A      D   185_A     0.523     0    0.060   0.343     1.411   92.857   90.536
LGA    Q   186_A      Q   186_A     0.694     0    0.017   1.175     5.213   90.476   75.926
LGA    L   187_A      L   187_A     0.491     0    0.025   0.059     0.577   97.619   97.619
LGA    V   188_A      V   188_A     0.367     0    0.015   0.044     0.455  100.000  100.000
LGA    E   189_A      E   189_A     0.359     0    0.021   0.078     0.530  100.000   98.942
LGA    R   190_A      R   190_A     0.434     0    0.030   1.116     4.889  100.000   80.606
LGA    A   191_A      A   191_A     0.420     0    0.072   0.080     0.460  100.000  100.000
LGA    G   192_A      G   192_A     0.518     0    0.081   0.081     0.733   92.857   92.857
LGA    A   193_A      A   193_A     0.246     0    0.078   0.079     0.285  100.000  100.000
LGA    L   194_A      L   194_A     0.206     0    0.058   0.075     0.458  100.000  100.000
LGA    I   195_A      I   195_A     0.542     0    0.749   0.613     3.425   80.476   86.667
LGA    G   196_A      G   196_A     0.721     0    0.066   0.066     1.071   90.595   90.595
LGA    F   197_A      F   197_A     0.477     0    0.042   0.150     0.655   97.619   93.074
LGA    P   198_A      P   198_A     0.530     0    0.639   0.585     2.514   84.524   84.490
LGA    E   199_A      E   199_A     1.371     0    0.614   1.299     8.344   63.690   38.783
LGA    G   200_A      G   200_A     6.680     0    0.486   0.486     8.743   15.119   15.119
LGA    N   201_A      N   201_A     8.888     0    0.539   0.590    11.957    3.571    2.143
LGA    S   202_A      S   202_A     9.085     0    0.081   0.100    10.571    1.190    1.746
LGA    M   203_A      M   203_A    10.453     0    0.028   1.071    12.329    0.119    0.833
LGA    M   204_A      M   204_A    11.894     0    0.033   1.062    13.387    0.000    0.000
LGA    I   205_A      I   205_A    12.259     0    0.027   0.136    14.464    0.000    0.000
LGA    A   206_A      A   206_A    13.586     0    0.044   0.046    16.061    0.000    0.000
LGA    L   207_A      L   207_A    15.967     0    0.023   0.280    18.178    0.000    0.000
LGA    G   208_A      G   208_A    16.988     0    0.038   0.038    19.562    0.000    0.000
LGA    V   209_A      V   209_A    18.808     0    0.018   0.052    21.445    0.000    0.000
LGA    A   210_A      A   210_A    20.351     0    0.015   0.017    23.336    0.000    0.000
LGA    C   211_A      C   211_A    22.862     0    0.013   0.601    25.372    0.000    0.000
LGA    A   212_A      A   212_A    24.302     0    0.019   0.029    27.151    0.000    0.000
LGA    I   213_A      I   213_A    26.189     0    0.009   0.044    29.022    0.000    0.000
LGA    A   214_A      A   214_A    28.224     0    0.015   0.022    31.136    0.000    0.000
LGA    L   215_A      L   215_A    30.411     0    0.022   0.098    33.192    0.000    0.000
LGA    A   216_A      A   216_A    32.147     0    0.007   0.017    35.081    0.000    0.000
LGA    I   217_A      I   217_A    33.934     0    0.031   0.160    36.935    0.000    0.000
LGA    A   218_A      A   218_A    36.241     0    0.051   0.063    39.423    0.000    0.000
LGA    A   219_A      A   219_A    38.374     0    0.102   0.101    41.714    0.000    0.000
LGA    V   220_A      V   220_A    40.965     0    0.018   0.123    43.864    0.000    0.000
LGA    Y   221_A      Y   221_A    42.373     0    0.131   0.135    44.430    0.000    0.000
LGA    F   222_A      F   222_A    45.264     0    0.139   0.705    47.125    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):    14.019         13.990                 14.457           54.633   52.853

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  222    4.0    125    0.57    57.095    53.196    18.574

LGA_LOCAL      RMSD:   0.573  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.545  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  14.019  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.188457 * X  +   0.451486 * Y  +   0.872149 * Z  +  28.826323
  Y_new =   0.607415 * X  +  -0.751413 * Y  +   0.257732 * Z  +  39.558617
  Z_new =   0.771706 * X  +   0.481186 * Y  +  -0.415848 * Z  +  28.352461 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.269953 -0.881520  2.283486   [DEG:   72.7629  -50.5074  130.8341 ]
ZXZ:  1.858132  1.999672  1.013251   [DEG:  106.4631  114.5728   58.0550 ]
 
# END of job
