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

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

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

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   111       4_B - 114_B       4.92    15.05
  LCS_AVERAGE:     52.50

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71     104_B - 174_B       1.96    19.95
  LONGEST_CONTINUOUS_SEGMENT:    71     105_B - 175_B       1.97    20.38
  LCS_AVERAGE:     24.39

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    57     112_B - 168_B       0.93    19.80
  LCS_AVERAGE:     17.91

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     P     4_B     P     4_B     14   26  111      4   13   21   36   56   74   78   82   86   89   91   97  100  103  108  112  119  126  143  150 
LCS_GDT     D     5_B     D     5_B     14   26  111      6   16   50   64   69   74   78   82   86   89   91   97  100  103  108  113  126  139  149  157 
LCS_GDT     F     6_B     F     6_B     15   26  111      9   16   50   64   69   74   78   82   86   89   91   97  100  103  108  121  130  140  149  157 
LCS_GDT     T     7_B     T     7_B     15   26  111      9   25   55   64   69   74   78   82   86   89   91   97  100  103  116  126  130  140  149  157 
LCS_GDT     G     8_B     G     8_B     15   26  111      9   37   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     A     9_B     A     9_B     15   26  111      9   38   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     R    10_B     R    10_B     15   26  111      9   39   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     E    11_B     E    11_B     15   26  111      9   39   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     R    12_B     R    12_B     15   26  111      9   24   54   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     F    13_B     F    13_B     15   26  111      9   33   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     L    14_B     L    14_B     15   26  111      9   39   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     A    15_B     A    15_B     15   26  111      7   20   51   63   69   72   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     G    16_B     G    16_B     15   26  111      5   24   43   63   69   74   78   82   86   89   91   97  100  106  116  126  130  140  149  157 
LCS_GDT     D    17_B     D    17_B     15   26  111      6   24   49   63   69   74   78   82   86   89   91   97  100  106  116  126  130  140  149  157 
LCS_GDT     V    18_B     V    18_B     15   26  111      4    4   12   14   56   65   71   77   84   86   91   97  100  103  108  119  129  135  147  157 
LCS_GDT     T    19_B     T    19_B     15   26  111      4   19   35   51   65   71   78   82   85   89   91   97  100  103  108  111  116  126  145  151 
LCS_GDT     I    20_B     I    20_B     15   26  111      9   33   55   64   69   74   78   82   86   89   91   97  100  103  112  121  130  140  149  157 
LCS_GDT     V    21_B     V    21_B     12   26  111     13   28   52   64   69   74   78   82   86   89   91   97  100  106  116  126  130  140  149  157 
LCS_GDT     L    22_B     L    22_B     12   26  111      6   39   55   64   69   74   78   82   86   89   91   97  100  103  108  113  119  136  147  157 
LCS_GDT     L    23_B     L    23_B     12   26  111      7   16   33   57   69   74   78   82   86   89   91   97  100  103  108  112  119  126  143  150 
LCS_GDT     I    24_B     I    24_B     12   26  111      6   12   12   19   33   52   78   82   86   89   91   97  100  103  108  113  125  139  149  157 
LCS_GDT     A    25_B     A    25_B     12   26  111      5   12   12   22   65   71   78   82   86   89   91   97  100  103  108  113  125  139  149  157 
LCS_GDT     E    26_B     E    26_B     12   26  111      5   14   24   36   51   69   78   82   86   89   91   97  100  103  108  111  114  119  124  126 
LCS_GDT     S    27_B     S    27_B     12   26  111      6   12   12   17   23   39   45   59   76   83   88   97  100  103  108  111  113  116  121  126 
LCS_GDT     H    28_B     H    28_B     12   26  111      6   12   12   16   21   25   28   33   43   69   84   88   94  101  108  111  114  118  124  126 
LCS_GDT     D    29_B     D    29_B     12   26  111      3    7    8   14   23   39   45   59   66   83   88   92   98  103  108  111  113  114  116  124 
LCS_GDT     A    30_B     A    30_B      3    4  111      3    4    4   11   32   43   58   62   75   83   91   97  100  103  108  111  113  114  116  121 
LCS_GDT     P    31_B     P    31_B      4    4  111      3    3    4    7   16   42   48   53   62   70   78   86   95  102  108  111  113  114  116  117 
LCS_GDT     Y    32_B     Y    32_B      4    4  111      3    4   14   31   40   48   58   62   71   80   90   97  100  103  108  111  113  114  116  121 
LCS_GDT     R    33_B     R    33_B      4    4  111      3    4    4    6    6    7    9   35   45   65   74   83   93   98  105  111  111  114  115  117 
LCS_GDT     L    34_B     L    34_B      4    8  111      3    4    4    6    7    9   23   32   44   49   60   69   80   87   91   99  105  109  112  114 
LCS_GDT     A    35_B     A    35_B      5    8  111      5    5    7    7    8    9   10   11   40   50   55   67   71   75   81   83   93   97  105  110 
LCS_GDT     N    36_B     N    36_B      5    8  111      5    5    7    7   26   43   52   59   64   70   79   86   95  102  108  111  113  114  116  117 
LCS_GDT     P    37_B     P    37_B      5    8  111      5    5    7    7   20   36   45   55   64   71   80   90   97  102  108  111  113  114  116  117 
LCS_GDT     E    38_B     E    38_B      5    8  111      5    5    7   17   36   50   59   66   78   85   91   97  100  103  108  111  113  114  116  121 
LCS_GDT     D    39_B     D    39_B      5    8  111      5   13   35   45   52   67   78   82   86   89   91   97  100  103  108  111  113  116  121  126 
LCS_GDT     P    40_B     P    40_B      5    8  111      4    4    5    6    7    8    9   10   14   79   88   94  100  103  108  111  113  114  116  117 
LCS_GDT     E    41_B     E    41_B      5   29  111      4    5    7   45   60   73   78   82   86   89   91   97  100  103  108  111  113  116  121  126 
LCS_GDT     A    42_B     A    42_B     24   30  111      4    4    5   10   18   50   58   66   71   81   90   97  100  103  108  111  113  114  116  118 
LCS_GDT     D    43_B     D    43_B     24   30  111      6   10   27   33   39   46   55   61   67   74   83   90   97  102  108  111  113  114  115  117 
LCS_GDT     L    44_B     L    44_B     24   30  111     11   24   29   35   43   51   58   64   71   79   88   94  100  103  108  111  113  114  116  117 
LCS_GDT     S    45_B     S    45_B     24   30  111     14   24   29   35   44   51   58   64   71   78   88   94  100  103  108  111  113  114  116  117 
LCS_GDT     D    46_B     D    46_B     24   30  111     14   24   29   35   45   51   58   64   71   79   88   94  100  103  108  111  113  114  116  117 
LCS_GDT     E    47_B     E    47_B     24   30  111     14   24   29   35   45   51   58   66   71   79   88   94  100  103  108  111  113  114  116  117 
LCS_GDT     Q    48_B     Q    48_B     24   30  111     14   24   29   35   45   51   58   66   72   81   89   97  100  103  108  111  113  114  116  117 
LCS_GDT     L    49_B     L    49_B     24   30  111     14   24   29   35   45   51   58   66   72   81   90   97  100  103  108  111  113  114  116  117 
LCS_GDT     E    50_B     E    50_B     24   30  111     14   24   29   35   45   51   58   66   76   86   91   97  100  103  108  111  113  114  116  120 
LCS_GDT     R    51_B     R    51_B     24   59  111     14   24   29   35   45   53   60   72   83   88   91   97  100  103  108  111  113  114  116  121 
LCS_GDT     A    52_B     A    52_B     24   60  111     14   24   29   37   45   55   64   75   83   89   91   97  100  103  108  111  113  114  117  121 
LCS_GDT     L    53_B     L    53_B     24   60  111     14   24   29   37   45   57   69   81   86   89   91   97  100  103  108  111  113  116  121  126 
LCS_GDT     A    54_B     A    54_B     24   60  111     14   24   29   37   50   62   73   81   86   89   91   97  100  103  108  111  113  116  121  126 
LCS_GDT     A    55_B     A    55_B     24   60  111     14   24   34   44   52   67   78   82   86   89   91   97  100  103  108  111  113  116  121  126 
LCS_GDT     Y    56_B     Y    56_B     50   60  111     14   24   35   45   60   74   78   82   86   89   91   97  100  103  108  111  118  122  124  140 
LCS_GDT     L    57_B     L    57_B     51   60  111     14   24   35   53   60   74   78   82   86   89   91   97  100  103  108  112  119  122  128  147 
LCS_GDT     T    58_B     T    58_B     53   60  111     14   29   49   58   69   74   78   82   86   89   91   97  100  103  108  113  119  122  141  152 
LCS_GDT     L    59_B     L    59_B     53   60  111     13   26   49   64   69   74   78   82   86   89   91   97  100  103  108  113  125  139  149  157 
LCS_GDT     V    60_B     V    60_B     53   60  111     14   37   49   64   69   74   78   82   86   89   91   97  100  103  108  119  130  140  149  157 
LCS_GDT     E    61_B     E    61_B     53   60  111     12   42   49   64   69   74   78   82   86   89   91   97  100  103  108  116  129  140  149  157 
LCS_GDT     T    62_B     T    62_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  111  123  130  140  149  157 
LCS_GDT     L    63_B     L    63_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     F    64_B     F    64_B     53   60  111     20   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     P    65_B     P    65_B     53   60  111     15   43   55   64   69   74   78   82   86   89   91   97  100  103  110  123  130  140  149  157 
LCS_GDT     E    66_B     E    66_B     53   60  111     21   43   55   64   69   74   78   82   86   89   91   97  100  103  110  123  130  140  149  157 
LCS_GDT     L    67_B     L    67_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  116  124  130  140  149  157 
LCS_GDT     Y    68_B     Y    68_B     53   60  111     15   43   55   64   69   74   78   82   86   89   91   97  100  103  108  119  130  140  149  157 
LCS_GDT     A    69_B     A    69_B     53   60  111     15   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  127  139  149  157 
LCS_GDT     E    70_B     E    70_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  119  130  140  149  157 
LCS_GDT     M    71_B     M    71_B     53   60  111     23   43   55   64   69   74   78   82   86   89   91   97  100  103  108  119  130  140  149  157 
LCS_GDT     K    72_B     K    72_B     53   60  111     20   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  125  139  149  157 
LCS_GDT     A    73_B     A    73_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  125  139  147  157 
LCS_GDT     A    74_B     A    74_B     53   60  111     15   43   55   64   69   74   78   82   86   89   91   97  100  103  108  116  129  140  149  157 
LCS_GDT     L    75_B     L    75_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  125  139  149  157 
LCS_GDT     A    76_B     A    76_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  119  130  143  152 
LCS_GDT     A    77_B     A    77_B     53   60  111     20   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  119  132  143  154 
LCS_GDT     A    78_B     A    78_B     53   60  111     15   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  125  139  147  157 
LCS_GDT     K    79_B     K    79_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  119  122  141  149 
LCS_GDT     T    80_B     T    80_B     53   60  111     21   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  119  132  143  152 
LCS_GDT     P    81_B     P    81_B     53   60  111     21   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  119  132  143  152 
LCS_GDT     E    82_B     E    82_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  125  139  147  157 
LCS_GDT     E    83_B     E    83_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  125  139  149  157 
LCS_GDT     K    84_B     K    84_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  125  139  149  157 
LCS_GDT     I    85_B     I    85_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  113  125  139  149  157 
LCS_GDT     A    86_B     A    86_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  117  130  140  149  157 
LCS_GDT     V    87_B     V    87_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  119  130  140  149  157 
LCS_GDT     F    88_B     F    88_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  119  130  140  149  157 
LCS_GDT     R    89_B     R    89_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  108  119  130  140  149  157 
LCS_GDT     E    90_B     E    90_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  113  123  130  140  149  157 
LCS_GDT     Y    91_B     Y    91_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  113  123  130  140  149  157 
LCS_GDT     N    92_B     N    92_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  103  113  123  130  140  149  157 
LCS_GDT     A    93_B     A    93_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  106  116  124  130  140  149  157 
LCS_GDT     R    94_B     R    94_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     F    95_B     F    95_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     L    96_B     L    96_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     A    97_B     A    97_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     E    98_B     E    98_B     53   60  111     25   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     F    99_B     F    99_B     53   60  111     20   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     D   100_B     D   100_B     53   60  111     13   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     A   101_B     A   101_B     53   70  111     11   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     L   102_B     L   102_B     53   70  111     16   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     I   103_B     I   103_B     53   70  111     20   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     D   104_B     D   104_B     53   71  111      9   40   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     Q   105_B     Q   105_B     53   71  111     14   43   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     A   106_B     A   106_B     53   71  111      9   40   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     F   107_B     F   107_B     53   71  111      9   29   53   64   69   74   78   82   86   89   91   97  100  106  116  126  130  140  149  157 
LCS_GDT     A   108_B     A   108_B     53   71  111      9   32   53   63   68   74   78   82   86   89   91   97  100  106  116  126  130  140  149  157 
LCS_GDT     R   109_B     R   109_B     53   71  111      9   41   54   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     L   110_B     L   110_B     53   71  111      9   21   43   57   67   74   78   82   86   89   91   97  100  106  116  126  130  140  149  157 
LCS_GDT     K   111_B     K   111_B     18   71  111      9   13   31   49   65   71   76   82   86   89   91   97  100  103  111  124  130  140  149  157 
LCS_GDT     A   112_B     A   112_B     57   71  111      7   39   54   58   61   64   70   74   80   84   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     D   113_B     D   113_B     57   71  111      4   39   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     S   114_B     S   114_B     57   71  111      3   36   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     L   115_B     L   115_B     57   71  108     16   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     T   116_B     T   116_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     L   117_B     L   117_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     K   118_B     K   118_B     57   71  108     24   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     I   119_B     I   119_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     H   120_B     H   120_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     L   121_B     L   121_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     S   122_B     S   122_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     Q   123_B     Q   123_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     G   124_B     G   124_B     57   71  108      3   20   40   50   60   64   67   72   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     K   125_B     K   125_B     57   71  108      8   45   53   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     G   126_B     G   126_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     S   127_B     S   127_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     Y   128_B     Y   128_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     E   129_B     E   129_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     I   130_B     I   130_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     I   131_B     I   131_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     F   132_B     F   132_B     57   71  108     21   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     P   133_B     P   133_B     57   71  108     21   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     P   134_B     P   134_B     57   71  108     23   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     E   135_B     E   135_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     V   136_B     V   136_B     57   71  108     26   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     Q   137_B     Q   137_B     57   71  108     16   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     A   138_B     A   138_B     57   71  108     30   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     D   139_B     D   139_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     P   140_B     P   140_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     E   141_B     E   141_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     R   142_B     R   142_B     57   71  108     31   49   54   58   61   64   70   74   80   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     A   143_B     A   143_B     57   71  108     31   49   54   58   61   64   70   74   80   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     A   144_B     A   144_B     57   71  108     31   49   54   58   61   65   72   78   84   88   91   95  100  107  116  126  130  140  149  157 
LCS_GDT     A   145_B     A   145_B     57   71  108     31   49   54   58   62   69   76   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     I   146_B     I   146_B     57   71  108     18   49   54   58   62   69   76   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     E   147_B     E   147_B     57   71  108     31   49   54   58   61   68   74   80   85   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     A   148_B     A   148_B     57   71  108     31   49   55   64   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     L   149_B     L   149_B     57   71  108     31   49   54   62   69   74   78   82   86   89   91   97  100  107  116  126  130  140  149  157 
LCS_GDT     W   150_B     W   150_B     57   71  108     31   49   54   58   61   64   70   76   82   85   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     K   151_B     K   151_B     57   71  108     24   49   54   58   61   64   70   76   82   85   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     P   152_B     P   152_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     T   153_B     T   153_B     57   71  108     24   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     L   154_B     L   154_B     57   71  108     28   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     D   155_B     D   155_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     Q   156_B     Q   156_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     L   157_B     L   157_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     L   158_B     L   158_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     A   159_B     A   159_B     57   71  108     31   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     V   160_B     V   160_B     57   71  108     30   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     L   161_B     L   161_B     57   71  108     30   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     Q   162_B     Q   162_B     57   71  108     22   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     E   163_B     E   163_B     57   71  108     22   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     K   164_B     K   164_B     57   71  108     21   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     H   165_B     H   165_B     57   71  108     15   49   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     K   166_B     K   166_B     57   71  108     15   44   54   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     G   167_B     G   167_B     57   71  108      4   22   50   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     K   168_B     K   168_B     57   71  108      4   22   49   58   61   64   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     P   169_B     P   169_B     55   71  108      4   10   20   29   54   63   70   74   79   83   89   95  100  107  116  126  130  140  148  157 
LCS_GDT     A   170_B     A   170_B     23   71  108      4    8   16   24   39   62   70   74   79   83   89   95  100  107  116  126  130  140  148  157 
LCS_GDT     T   171_B     T   171_B     12   71  108      4    8   11   19   28   48   70   74   79   83   89   95  100  106  114  126  129  136  141  148 
LCS_GDT     T   172_B     T   172_B     12   71  108      5    8   13   23   32   50   70   74   79   83   89   95  100  106  115  126  130  136  142  151 
LCS_GDT     V   173_B     V   173_B     12   71  108      5    8   11   23   32   48   70   74   79   83   89   95  100  106  114  126  129  136  142  148 
LCS_GDT     T   174_B     T   174_B      9   71  108      5    8   11   24   37   56   70   74   79   83   89   95  100  106  115  126  130  137  144  157 
LCS_GDT     Y   175_B     Y   175_B      9   71  108      5    8   22   25   32   48   70   74   79   83   89   95  100  106  114  126  130  137  144  157 
LCS_GDT     E   176_B     E   176_B     21   70  108      5   14   22   25   32   54   70   74   79   83   89   95  100  106  115  126  130  140  149  157 
LCS_GDT     I   177_B     I   177_B     22   70  108      5   15   21   25   27   48   70   74   79   83   89   95  100  106  115  126  130  140  149  157 
LCS_GDT     S   178_B     S   178_B     22   67  108      9   16   21   25   27   48   69   72   78   83   87   94   98  103  112  123  130  138  149  157 
LCS_GDT     A   179_B     A   179_B     22   42  108      9   17   21   25   28   35   57   72   78   83   87   94   98  106  112  126  130  140  149  157 
LCS_GDT     E   180_B     E   180_B     22   37  108      9   17   22   25   46   63   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     T   181_B     T   181_B     22   32  108      9   17   21   25   58   63   70   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     L   182_B     L   182_B     22   32  108      9   17   22   25   29   35   65   74   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     R   183_B     R   183_B     22   32  108      9   17   22   25   29   35   45   71   78   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     A   184_B     A   184_B     22   32  108      9   17   22   25   31   58   66   71   79   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     A   185_B     A   185_B     22   32  108      9   17   22   25   29   38   66   70   78   83   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     V   186_B     V   186_B     22   32  108      9   17   22   25   29   35   40   46   63   80   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     A   187_B     A   187_B     22   32  108      9   17   22   25   29   35   40   46   64   79   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     A   188_B     A   188_B     22   32  108      8   17   22   25   29   35   40   56   75   81   89   95  100  107  116  126  130  140  149  157 
LCS_GDT     L   189_B     L   189_B     22   32  108      8   17   22   25   29   35   40   46   54   71   86   93  100  107  116  126  130  140  149  157 
LCS_GDT     A   190_B     A   190_B     22   32  108      9   17   22   25   29   35   40   46   54   61   72   92  100  107  116  126  130  140  149  157 
LCS_GDT     R   191_B     R   191_B     22   32  108      5   17   22   25   29   35   40   46   54   62   81   92  100  107  116  126  130  140  149  157 
LCS_GDT     A   192_B     A   192_B     22   32  108      6   17   22   25   29   35   40   46   54   61   81   92  100  107  116  126  130  140  149  157 
LCS_GDT     A   193_B     A   193_B     22   32  108      8   17   22   25   29   35   40   46   54   61   69   86   99  107  116  126  130  140  149  157 
LCS_GDT     E   194_B     E   194_B     22   32  108      6   17   22   25   29   35   40   46   54   61   69   78   97  107  116  126  130  140  149  157 
LCS_GDT     A   195_B     A   195_B     22   32  108      6   16   22   25   29   35   40   46   54   61   69   86   99  107  116  126  130  140  149  157 
LCS_GDT     A   196_B     A   196_B     22   32  108      6   17   22   25   29   35   40   46   54   61   69   85   97  107  116  126  130  140  149  157 
LCS_GDT     L   197_B     L   197_B     22   32  108      5   16   22   25   29   35   40   46   54   61   69   75   95  107  116  126  130  140  149  157 
LCS_GDT     R   198_B     R   198_B     22   32  108      5   13   22   25   29   35   40   46   54   61   69   75   95  107  116  126  130  140  149  157 
LCS_GDT     R   199_B     R   199_B     19   32  108      5   12   22   25   29   35   40   46   54   61   69   75   95  107  116  126  130  140  149  157 
LCS_GDT     K   200_B     K   200_B     19   32  108      6   14   22   25   29   35   40   46   54   61   69   79   95  107  116  126  130  140  149  157 
LCS_GDT     V   201_B     V   201_B     17   32  108      5   12   19   25   29   35   40   46   54   61   69   75   95  107  116  126  130  140  149  157 
LCS_GDT     G   202_B     G   202_B     15   32  108      5    9   13   21   29   35   40   46   54   61   69   74   87  106  116  126  130  140  149  157 
LCS_GDT     S   203_B     S   203_B     15   32  108      4    9   12   21   29   35   40   46   54   61   69   73   87  104  116  126  130  140  149  157 
LCS_GDT     L   204_B     L   204_B      4   32   98      4    4    5    7   14   20   31   42   53   61   65   71   89  101  116  124  130  140  149  157 
LCS_GDT     E   205_B     E   205_B      4    5   98      4    4    4    4    5    5   17   21   24   60   73   87   96  107  116  126  130  140  149  157 
LCS_GDT     S   206_B     S   206_B      4    5   98      4    4    5   15   27   44   63   71   77   81   89   95  100  107  116  126  130  137  145  151 
LCS_GDT     S   207_B     S   207_B      4    5   98      3    4   18   28   48   63   67   72   77   81   89   95  100  106  116  126  130  136  141  151 
LCS_GDT     G   208_B     G   208_B      4    5   98      3    4    4   14   20   25   66   71   76   81   87   95  100  106  116  126  130  136  145  151 
LCS_GDT     L   209_B     L   209_B      3    5   60      3    3    3    4    4    5    7    8    9   10   12   13   13   16   93  103  113  119  127  137 
LCS_GDT     E   210_B     E   210_B      3    4   13      3    3    3    4    5    5    6    7    8    9    9   13   16   16   18   20   22   22   24   27 
LCS_AVERAGE  LCS_A:  31.60  (  17.91   24.39   52.50 )

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     31     49     55     64     69     74     78     82     86     89     91     97    100    107    116    126    130    140    149    157 
GDT PERCENT_AT  14.98  23.67  26.57  30.92  33.33  35.75  37.68  39.61  41.55  43.00  43.96  46.86  48.31  51.69  56.04  60.87  62.80  67.63  71.98  75.85
GDT RMS_LOCAL    5.69   0.54   0.89   1.14   1.29   1.54   1.70   1.92   2.23   2.40   2.59   3.13   3.49   4.75   4.91   5.23   5.49   6.23   6.67   6.88
GDT RMS_ALL_AT  19.85  19.79  13.25  13.17  13.31  13.29  13.22  13.53  13.41  13.47  13.53  14.21  15.23  13.41  13.43  13.58  13.00  11.79  11.25  11.23

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  F    13_B      F    13_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  D    39_B      D    39_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  D    43_B      D    43_B
#   possible swapping detected:  E    47_B      E    47_B
#   possible swapping detected:  Y    56_B      Y    56_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  E    66_B      E    66_B
#   possible swapping detected:  Y    68_B      Y    68_B
#   possible swapping detected:  F    88_B      F    88_B
#   possible swapping detected:  E    90_B      E    90_B
#   possible swapping detected:  F    95_B      F    95_B
#   possible swapping detected:  E    98_B      E    98_B
#   possible swapping detected:  F    99_B      F    99_B
#   possible swapping detected:  D   113_B      D   113_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  Y   175_B      Y   175_B
#   possible swapping detected:  E   180_B      E   180_B
#   possible swapping detected:  E   194_B      E   194_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     4_B      P     4_B     3.170     0    0.083   0.136     4.157   50.119   47.279
LGA    D     5_B      D     5_B     1.628     3    0.091   0.094     1.940   75.000   46.607
LGA    F     6_B      F     6_B     1.533     0    0.040   0.243     2.820   77.143   70.087
LGA    T     7_B      T     7_B     1.071     0    0.010   0.892     2.686   83.690   79.252
LGA    G     8_B      G     8_B     0.735     0    0.031   0.031     0.754   90.476   90.476
LGA    A     9_B      A     9_B     0.710     0    0.077   0.093     1.009   88.214   88.667
LGA    R    10_B      R    10_B     0.443     6    0.032   0.036     0.611   97.619   44.589
LGA    E    11_B      E    11_B     0.846     0    0.028   0.599     2.310   85.952   85.661
LGA    R    12_B      R    12_B     1.397     0    0.054   1.011     5.909   79.286   61.558
LGA    F    13_B      F    13_B     1.032     0    0.023   0.306     1.209   81.429   85.541
LGA    L    14_B      L    14_B     1.244     3    0.132   0.137     1.586   77.143   48.750
LGA    A    15_B      A    15_B     2.510     0    0.236   0.227     4.182   56.071   57.810
LGA    G    16_B      G    16_B     2.312     0    0.113   0.113     2.371   64.762   64.762
LGA    D    17_B      D    17_B     2.256     0    0.108   0.271     2.811   60.952   62.917
LGA    V    18_B      V    18_B     4.444     0    0.027   1.174     7.606   40.238   33.265
LGA    T    19_B      T    19_B     3.531     0    0.125   1.064     6.886   54.048   45.238
LGA    I    20_B      I    20_B     0.896     0    0.019   0.226     1.797   81.667   81.607
LGA    V    21_B      V    21_B     2.031     0    0.083   0.278     3.874   69.048   60.952
LGA    L    22_B      L    22_B     0.631     0    0.041   0.188     2.010   85.952   80.595
LGA    L    23_B      L    23_B     2.298     0    0.101   1.367     3.794   61.667   61.548
LGA    I    24_B      I    24_B     4.021     0    0.052   0.509     6.200   39.405   37.321
LGA    A    25_B      A    25_B     3.757     0    0.144   0.149     4.829   40.357   42.286
LGA    E    26_B      E    26_B     3.850     0    0.058   0.960     5.581   35.238   48.466
LGA    S    27_B      S    27_B     6.871     0    0.071   0.505     8.796   11.190   15.873
LGA    H    28_B      H    28_B     8.168     0    0.019   1.127    10.572    5.238    3.429
LGA    D    29_B      D    29_B     8.096     0    0.484   0.580     9.861    5.952    5.179
LGA    A    30_B      A    30_B     7.655     0    0.640   0.625    11.413    4.643    5.714
LGA    P    31_B      P    31_B    10.491     0    0.634   0.736    11.090    1.190    1.769
LGA    Y    32_B      Y    32_B     8.543     0    0.150   1.026    11.845    1.071    2.143
LGA    R    33_B      R    33_B    13.050     0    0.566   0.658    19.027    0.000    0.000
LGA    L    34_B      L    34_B    15.204     0    0.669   0.687    17.690    0.000    0.000
LGA    A    35_B      A    35_B    16.893     0    0.189   0.198    17.550    0.000    0.000
LGA    N    36_B      N    36_B    11.455     3    0.085   0.104    13.205    0.119    0.119
LGA    P    37_B      P    37_B    12.224     0    0.250   0.330    14.449    0.000    0.000
LGA    E    38_B      E    38_B     7.463     4    0.110   0.111     8.941   15.119    8.201
LGA    D    39_B      D    39_B     4.702     0    0.212   1.139     7.652   18.214   22.917
LGA    P    40_B      P    40_B     8.559     0    0.166   0.419    10.100    7.738    5.918
LGA    E    41_B      E    41_B     3.679     0    0.228   0.638     7.476   30.595   28.201
LGA    A    42_B      A    42_B     9.369     0    0.091   0.089    13.083    3.690    2.952
LGA    D    43_B      D    43_B    13.069     0    0.346   1.118    17.516    0.000    0.000
LGA    L    44_B      L    44_B    11.265     0    0.063   0.200    11.641    0.000    0.000
LGA    S    45_B      S    45_B    11.698     0    0.078   0.188    11.838    0.000    0.000
LGA    D    46_B      D    46_B    11.148     0    0.026   0.495    11.750    0.000    0.000
LGA    E    47_B      E    47_B    10.545     0    0.106   0.186    11.729    0.476    0.212
LGA    Q    48_B      Q    48_B     9.714     0    0.029   0.172    10.883    1.190    0.529
LGA    L    49_B      L    49_B     9.087     0    0.046   1.377    12.527    3.214    1.667
LGA    E    50_B      E    50_B     8.572     4    0.025   0.027     9.060    4.405    2.116
LGA    R    51_B      R    51_B     7.667     0    0.027   0.758    12.217    9.762    4.762
LGA    A    52_B      A    52_B     6.708     0    0.051   0.060     7.296   16.667   15.333
LGA    L    53_B      L    53_B     5.996     0    0.016   1.391     6.567   21.548   21.071
LGA    A    54_B      A    54_B     5.642     0    0.050   0.049     6.287   27.857   25.714
LGA    A    55_B      A    55_B     4.587     0    0.023   0.032     5.128   37.738   35.429
LGA    Y    56_B      Y    56_B     3.544     0    0.031   0.076     4.021   46.905   53.968
LGA    L    57_B      L    57_B     3.453     0    0.029   0.480     5.669   50.119   41.726
LGA    T    58_B      T    58_B     2.662     0    0.035   0.171     3.071   61.190   59.456
LGA    L    59_B      L    59_B     1.950     0    0.027   0.824     3.249   72.976   67.024
LGA    V    60_B      V    60_B     1.822     0    0.053   1.102     4.422   72.857   67.823
LGA    E    61_B      E    61_B     1.991     0    0.013   0.361     3.383   72.857   67.619
LGA    T    62_B      T    62_B     1.194     0    0.010   0.162     1.558   79.286   80.204
LGA    L    63_B      L    63_B     0.929     0    0.090   0.393     2.509   83.690   80.655
LGA    F    64_B      F    64_B     1.291     0    0.043   0.127     1.577   81.429   79.870
LGA    P    65_B      P    65_B     1.370     0    0.012   0.316     1.634   81.429   80.204
LGA    E    66_B      E    66_B     0.921     0    0.046   0.997     4.182   90.476   72.487
LGA    L    67_B      L    67_B     0.603     0    0.055   0.201     2.040   90.476   83.929
LGA    Y    68_B      Y    68_B     1.230     0    0.047   0.115     4.127   83.690   63.929
LGA    A    69_B      A    69_B     1.128     0    0.013   0.018     1.332   85.952   85.048
LGA    E    70_B      E    70_B     0.642     0    0.022   0.539     2.188   90.476   83.651
LGA    M    71_B      M    71_B     0.993     0    0.021   0.714     1.813   90.476   83.810
LGA    K    72_B      K    72_B     0.648     0    0.019   0.374     2.911   92.857   78.413
LGA    A    73_B      A    73_B     0.658     0    0.053   0.055     0.960   92.857   92.381
LGA    A    74_B      A    74_B     1.333     0    0.044   0.056     1.572   83.690   81.524
LGA    L    75_B      L    75_B     1.014     0    0.024   0.287     1.989   85.952   82.679
LGA    A    76_B      A    76_B     0.614     0    0.102   0.104     0.711   90.476   90.476
LGA    A    77_B      A    77_B     1.401     0    0.097   0.099     1.945   77.143   78.000
LGA    A    78_B      A    78_B     1.756     0    0.122   0.148     1.857   75.000   74.571
LGA    K    79_B      K    79_B     1.003     0    0.120   1.373     6.526   83.690   61.111
LGA    T    80_B      T    80_B     1.817     0    0.060   1.015     3.607   72.857   69.864
LGA    P    81_B      P    81_B     1.819     0    0.049   0.049     1.935   72.857   72.857
LGA    E    82_B      E    82_B     1.784     4    0.013   0.030     1.883   72.857   40.476
LGA    E    83_B      E    83_B     1.530     4    0.015   0.015     1.635   77.143   43.333
LGA    K    84_B      K    84_B     1.493     0    0.012   0.322     2.310   81.429   73.968
LGA    I    85_B      I    85_B     1.331     0    0.029   1.069     3.037   81.429   74.345
LGA    A    86_B      A    86_B     1.124     0    0.057   0.065     1.274   81.429   81.429
LGA    V    87_B      V    87_B     1.229     0    0.018   0.088     1.284   81.429   81.429
LGA    F    88_B      F    88_B     1.247     0    0.026   0.114     1.317   81.429   81.429
LGA    R    89_B      R    89_B     1.223     0    0.027   0.912     3.901   81.429   77.403
LGA    E    90_B      E    90_B     1.327     0    0.033   0.081     1.473   81.429   81.429
LGA    Y    91_B      Y    91_B     1.098     0    0.018   0.197     1.250   81.429   85.952
LGA    N    92_B      N    92_B     1.201     0    0.026   0.977     2.788   81.429   76.310
LGA    A    93_B      A    93_B     1.032     0    0.047   0.059     1.166   83.690   85.048
LGA    R    94_B      R    94_B     0.851     0    0.037   0.771     2.029   90.476   84.113
LGA    F    95_B      F    95_B     0.813     0    0.029   1.216     6.890   90.476   59.394
LGA    L    96_B      L    96_B     1.143     0    0.036   0.431     2.100   81.429   79.405
LGA    A    97_B      A    97_B     1.031     0    0.033   0.035     1.069   85.952   85.048
LGA    E    98_B      E    98_B     0.892     0    0.035   0.448     1.978   85.952   82.593
LGA    F    99_B      F    99_B     1.150     0    0.048   0.208     1.362   81.429   81.429
LGA    D   100_B      D   100_B     1.466     0    0.013   0.379     2.911   81.429   73.155
LGA    A   101_B      A   101_B     0.610     0    0.093   0.094     0.860   92.857   92.381
LGA    L   102_B      L   102_B     0.474     0    0.020   0.604     2.909   97.619   83.512
LGA    I   103_B      I   103_B     0.435     0    0.030   0.780     2.036   97.619   93.214
LGA    D   104_B      D   104_B     0.860     0    0.024   0.276     2.225   88.333   80.655
LGA    Q   105_B      Q   105_B     0.864     0    0.065   1.257     5.247   88.214   73.915
LGA    A   106_B      A   106_B     0.736     0    0.029   0.039     1.428   85.952   86.857
LGA    F   107_B      F   107_B     2.100     0    0.068   0.633     3.303   67.024   62.208
LGA    A   108_B      A   108_B     2.679     0    0.017   0.017     3.382   57.262   57.238
LGA    R   109_B      R   109_B     2.339     0    0.022   0.965     4.665   60.952   62.684
LGA    L   110_B      L   110_B     3.289     3    0.137   0.137     4.418   46.905   29.702
LGA    K   111_B      K   111_B     5.021     2    0.116   0.519     8.238   20.357   13.545
LGA    A   112_B      A   112_B     8.733     0    0.042   0.053     9.146    5.119    4.381
LGA    D   113_B      D   113_B    11.044     0    0.302   0.963    14.286    0.000    0.179
LGA    S   114_B      S   114_B    14.486     0    0.641   0.678    16.837    0.000    0.000
LGA    L   115_B      L   115_B    13.056     0    0.270   0.561    14.131    0.000    0.060
LGA    T   116_B      T   116_B    16.321     0    0.097   0.130    18.941    0.000    0.000
LGA    L   117_B      L   117_B    15.612     0    0.018   0.088    18.168    0.000    0.000
LGA    K   118_B      K   118_B    18.785     0    0.039   0.316    23.903    0.000    0.000
LGA    I   119_B      I   119_B    18.975     0    0.059   0.526    21.146    0.000    0.000
LGA    H   120_B      H   120_B    21.124     0    0.027   0.127    22.296    0.000    0.000
LGA    L   121_B      L   121_B    22.693     0    0.038   0.223    24.743    0.000    0.000
LGA    S   122_B      S   122_B    24.678     0    0.272   0.595    25.052    0.000    0.000
LGA    Q   123_B      Q   123_B    25.375     4    0.484   0.458    26.085    0.000    0.000
LGA    G   124_B      G   124_B    20.783     0    0.659   0.659    22.140    0.000    0.000
LGA    K   125_B      K   125_B    19.382     4    0.015   0.016    20.038    0.000    0.000
LGA    G   126_B      G   126_B    18.140     0    0.109   0.109    18.425    0.000    0.000
LGA    S   127_B      S   127_B    15.673     0    0.015   0.150    16.975    0.000    0.000
LGA    Y   128_B      Y   128_B    14.780     0    0.012   0.186    14.780    0.000    1.508
LGA    E   129_B      E   129_B    14.961     0    0.083   0.864    20.990    0.000    0.000
LGA    I   130_B      I   130_B    13.021     0    0.038   0.136    13.867    0.000    0.357
LGA    I   131_B      I   131_B    15.749     0    0.034   0.166    18.964    0.000    0.000
LGA    F   132_B      F   132_B    14.233     0    0.026   0.192    16.660    0.000    0.000
LGA    P   133_B      P   133_B    16.151     0    0.056   0.171    16.604    0.000    0.000
LGA    P   134_B      P   134_B    18.495     0    0.064   0.062    19.915    0.000    0.000
LGA    E   135_B      E   135_B    16.373     4    0.083   0.094    17.009    0.000    0.000
LGA    V   136_B      V   136_B    13.982     0    0.106   0.296    14.847    0.000    0.000
LGA    Q   137_B      Q   137_B    16.561     4    0.074   0.085    17.569    0.000    0.000
LGA    A   138_B      A   138_B    18.089     0    0.079   0.092    18.735    0.000    0.000
LGA    D   139_B      D   139_B    15.302     0    0.066   0.204    16.120    0.000    0.000
LGA    P   140_B      P   140_B    13.640     0    0.020   0.174    15.944    0.000    0.000
LGA    E   141_B      E   141_B    11.531     0    0.016   0.701    12.917    0.357    0.159
LGA    R   142_B      R   142_B     9.648     0    0.073   1.049    12.032    2.262    1.082
LGA    A   143_B      A   143_B     9.860     0    0.031   0.029    11.171    2.619    2.095
LGA    A   144_B      A   144_B     7.414     0    0.014   0.015     8.542   14.048   12.667
LGA    A   145_B      A   145_B     5.318     0    0.012   0.019     6.383   31.190   28.381
LGA    I   146_B      I   146_B     5.344     0    0.041   0.297     8.860   27.500   18.690
LGA    E   147_B      E   147_B     5.836     0    0.019   1.083    10.222   27.857   15.979
LGA    A   148_B      A   148_B     2.004     0    0.032   0.030     3.386   63.095   65.048
LGA    L   149_B      L   149_B     2.285     0    0.022   0.800     4.499   54.524   58.690
LGA    W   150_B      W   150_B     6.033     0    0.020   1.064     7.945   18.690   19.558
LGA    K   151_B      K   151_B     6.426     4    0.031   0.043     8.439   13.333    8.836
LGA    P   152_B      P   152_B     8.264     0    0.025   0.189    10.548    3.810    8.367
LGA    T   153_B      T   153_B    10.737     0    0.008   1.107    12.494    0.119    1.088
LGA    L   154_B      L   154_B    11.256     0    0.033   0.374    12.950    0.000    0.000
LGA    D   155_B      D   155_B    11.688     0    0.007   0.066    13.884    0.000    0.833
LGA    Q   156_B      Q   156_B    14.306     0    0.028   0.855    16.430    0.000    0.000
LGA    L   157_B      L   157_B    15.761     0    0.016   0.114    17.616    0.000    0.000
LGA    L   158_B      L   158_B    16.227     0    0.032   0.985    18.157    0.000    0.000
LGA    A   159_B      A   159_B    17.435     0    0.013   0.023    19.742    0.000    0.000
LGA    V   160_B      V   160_B    20.011     0    0.031   0.177    22.083    0.000    0.000
LGA    L   161_B      L   161_B    21.200     0    0.023   0.267    23.041    0.000    0.000
LGA    Q   162_B      Q   162_B    21.377     0    0.046   0.789    23.524    0.000    0.000
LGA    E   163_B      E   163_B    23.383     3    0.109   0.174    26.027    0.000    0.000
LGA    K   164_B      K   164_B    25.524     4    0.073   0.076    27.684    0.000    0.000
LGA    H   165_B      H   165_B    26.321     0    0.198   0.449    26.614    0.000    0.000
LGA    K   166_B      K   166_B    26.517     2    0.016   0.336    27.718    0.000    0.000
LGA    G   167_B      G   167_B    27.998     0    0.154   0.154    29.801    0.000    0.000
LGA    K   168_B      K   168_B    28.851     0    0.070   0.611    30.782    0.000    0.000
LGA    P   169_B      P   169_B    29.014     0    0.032   0.291    30.987    0.000    0.000
LGA    A   170_B      A   170_B    26.951     0    0.185   0.198    28.909    0.000    0.000
LGA    T   171_B      T   171_B    28.089     0    0.078   0.196    30.915    0.000    0.000
LGA    T   172_B      T   172_B    25.558     0    0.009   0.217    26.895    0.000    0.000
LGA    V   173_B      V   173_B    24.398     0    0.058   0.096    25.534    0.000    0.000
LGA    T   174_B      T   174_B    22.419     0    0.032   0.165    23.681    0.000    0.000
LGA    Y   175_B      Y   175_B    20.193     0    0.016   0.135    23.409    0.000    0.000
LGA    E   176_B      E   176_B    19.170     0    0.033   0.516    23.622    0.000    0.000
LGA    I   177_B      I   177_B    15.534     0    0.027   0.139    16.404    0.000    0.000
LGA    S   178_B      S   178_B    15.451     0    0.122   0.187    15.952    0.000    0.000
LGA    A   179_B      A   179_B    14.667     0    0.085   0.083    14.867    0.000    0.000
LGA    E   180_B      E   180_B    15.104     0    0.011   0.618    16.182    0.000    0.000
LGA    T   181_B      T   181_B    15.899     0    0.009   1.116    16.816    0.000    0.000
LGA    L   182_B      L   182_B    15.587     0    0.058   1.298    15.593    0.000    0.000
LGA    R   183_B      R   183_B    15.039     0    0.021   0.392    15.778    0.000    0.000
LGA    A   184_B      A   184_B    15.728     0    0.019   0.020    16.105    0.000    0.000
LGA    A   185_B      A   185_B    16.415     0    0.041   0.039    16.727    0.000    0.000
LGA    V   186_B      V   186_B    15.931     0    0.030   0.067    15.967    0.000    0.000
LGA    A   187_B      A   187_B    15.734     0    0.015   0.015    16.152    0.000    0.000
LGA    A   188_B      A   188_B    16.751     0    0.091   0.102    17.360    0.000    0.000
LGA    L   189_B      L   189_B    17.107     0    0.081   0.945    17.359    0.000    0.000
LGA    A   190_B      A   190_B    16.274     0    0.030   0.030    16.575    0.000    0.000
LGA    R   191_B      R   191_B    16.947     0    0.143   0.548    18.045    0.000    0.000
LGA    A   192_B      A   192_B    18.247     0    0.020   0.035    18.648    0.000    0.000
LGA    A   193_B      A   193_B    17.512     0    0.055   0.055    17.771    0.000    0.000
LGA    E   194_B      E   194_B    17.705     0    0.011   0.435    18.442    0.000    0.000
LGA    A   195_B      A   195_B    19.093     0    0.135   0.150    20.323    0.000    0.000
LGA    A   196_B      A   196_B    19.336     0    0.031   0.036    19.520    0.000    0.000
LGA    L   197_B      L   197_B    18.623     0    0.130   0.489    19.556    0.000    0.000
LGA    R   198_B      R   198_B    19.970     0    0.119   1.538    21.549    0.000    0.000
LGA    R   199_B      R   199_B    21.580     0    0.077   0.901    23.448    0.000    0.000
LGA    K   200_B      K   200_B    20.901     0    0.035   0.568    21.359    0.000    0.000
LGA    V   201_B      V   201_B    21.272     0    0.055   1.289    22.675    0.000    0.000
LGA    G   202_B      G   202_B    23.846     0    0.117   0.117    25.459    0.000    0.000
LGA    S   203_B      S   203_B    25.276     1    0.665   0.646    25.909    0.000    0.000
LGA    L   204_B      L   204_B    24.329     3    0.243   0.258    24.853    0.000    0.000
LGA    E   205_B      E   205_B    24.749     4    0.271   0.259    25.768    0.000    0.000
LGA    S   206_B      S   206_B    28.423     1    0.104   0.106    30.786    0.000    0.000
LGA    S   207_B      S   207_B    29.656     0    0.248   0.251    31.438    0.000    0.000
LGA    G   208_B      G   208_B    25.976     0    0.647   0.647    27.441    0.000    0.000
LGA    L   209_B      L   209_B    27.343     3    0.118   0.126    28.522    0.000    0.000
LGA    E   210_B      E   210_B    28.070     4    0.331   0.313    30.436    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1517   1517  100.00               207
SUMMARY(RMSD_GDC):    10.350         10.363                 10.373           31.382   28.886

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     82    1.92    38.768    34.884     4.051

LGA_LOCAL      RMSD:   1.924  Number of atoms:   82  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.531  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  10.350  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.869404 * X  +  -0.306064 * Y  +  -0.387894 * Z  + -23.512741
  Y_new =   0.380284 * X  +   0.915714 * Y  +   0.129813 * Z  +   2.174769
  Z_new =   0.315469 * X  +  -0.260369 * Y  +   0.912517 * Z  +  -2.562231 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.412333 -0.320951 -0.277945   [DEG:   23.6249  -18.3891  -15.9251 ]
ZXZ: -1.893740  0.421401  2.260799   [DEG: -108.5033   24.1445  129.5342 ]
 
# END of job
