
#######################################################
#                                                     #
#                        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:   150      57_A - 206_A       4.95    19.58
  LONGEST_CONTINUOUS_SEGMENT:   150      58_A - 207_A       4.85    19.56
  LONGEST_CONTINUOUS_SEGMENT:   150      59_A - 208_A       4.93    19.52
  LCS_AVERAGE:     56.35

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94      75_A - 168_A       1.99    21.20
  LCS_AVERAGE:     25.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    57      76_A - 132_A       0.98    21.66
  LCS_AVERAGE:     13.63

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      3   31   77      0    3    3   10   18   20   68  104  114  120  121  124  128  131  133  136  139  140  144  145 
LCS_GDT     P     2_A     P     2_A      3   31   77      3    3    3    3    3   31   44   59   76   89  114  118  127  130  133  134  139  140  142  144 
LCS_GDT     H     3_A     H     3_A     11   31   77      3    3    4   11   22   31   44   63   76  117  120  123  128  131  133  136  139  140  143  145 
LCS_GDT     M     4_A     M     4_A     22   32   77      8   13   20   25   27   30   34  107  110  117  120  124  128  131  133  136  139  140  143  145 
LCS_GDT     E     5_A     E     5_A     22   32   77      8   14   22   25   27   30   34   37   48   53   59  111  119  127  133  134  136  139  142  144 
LCS_GDT     Q     6_A     Q     6_A     22   32   77      8   13   21   25   27   30   44   59   70   77   87   99  120  124  127  127  135  136  140  143 
LCS_GDT     L     7_A     L     7_A     22   32   77      8   13   21   25   27   30   34   40   76  117  120  122  128  131  133  134  139  140  142  145 
LCS_GDT     E     8_A     E     8_A     23   32   77      8   16   22   25   27   34   79  107  110  117  120  124  128  131  133  136  139  140  143  145 
LCS_GDT     G     9_A     G     9_A     23   32   77      8   16   22   25   27   34   40   44   49   77   87  122  127  131  133  134  136  139  142  144 
LCS_GDT     I    10_A     I    10_A     23   32   77      8   16   22   25   27   34   40   63   76   89   98  115  127  129  132  134  139  140  142  144 
LCS_GDT     M    11_A     M    11_A     23   32   77      4   15   22   25   27   34   40   44   52   63  113  122  128  131  133  136  139  140  143  145 
LCS_GDT     L    12_A     L    12_A     23   32   77     10   16   22   25   27   34   40   44   96  114  120  124  128  131  133  136  139  140  143  145 
LCS_GDT     S    13_A     S    13_A     23   32   77     10   16   22   25   27   34   40   44  110  117  120  122  128  131  133  134  139  140  142  144 
LCS_GDT     P    14_A     P    14_A     23   32   77     10   16   22   25   27   34   40   44  110  117  120  123  128  131  133  134  139  140  142  144 
LCS_GDT     A    15_A     A    15_A     23   32   77      9   16   22   25   27   34   40   44   50   89   98  108  120  124  127  127  129  130  133  139 
LCS_GDT     F    16_A     F    16_A     23   32   77      8   16   22   25   27   34   40   44   50   54   61   66   69   75   80  117  125  133  137  142 
LCS_GDT     Q    17_A     Q    17_A     23   32   77     10   16   22   25   27   34   40   44   50   54   61   66   87  124  127  127  139  140  143  145 
LCS_GDT     E    18_A     E    18_A     23   32   77     10   16   22   25   27   34   40   44   50   54   61   66   69   94  106  117  131  135  137  142 
LCS_GDT     Q    19_A     Q    19_A     23   32   77     10   16   22   25   27   34   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     M    20_A     M    20_A     23   32   77     10   16   22   25   27   34   40   44   50   54   61   66   69   75   80   94  105  126  132  136 
LCS_GDT     N    21_A     N    21_A     23   32   77     10   16   22   25   27   34   40   44   50   54   61   66   69   75   88  112  119  127  136  143 
LCS_GDT     A    22_A     A    22_A     23   32   77     10   16   22   25   27   34   40   44   50   54   61   66   69   75   80   82   86   89  116  120 
LCS_GDT     L    23_A     L    23_A     23   32   77      8   16   22   25   27   34   40   44   50   54   61   66   69   75   80   82   86   89  105  113 
LCS_GDT     M    24_A     M    24_A     23   32   77      7   16   22   25   27   34   40   44   50   54   61   66   69   75   80   82   89  101  111  119 
LCS_GDT     L    25_A     L    25_A     23   32   77     10   16   22   25   27   34   40   44   50   54   61   66   69   75   80   82   96  104  112  121 
LCS_GDT     D    26_A     D    26_A     23   32   77      5   15   22   25   27   34   40   44   50   54   61   66   69   75   80   82   86   89   90   94 
LCS_GDT     P    27_A     P    27_A     23   32   77      5   15   22   25   27   34   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     R    28_A     R    28_A     23   32   77      7   13   22   25   27   34   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     M    29_A     M    29_A     23   32   77      4   13   21   25   27   34   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     L    30_A     L    30_A     23   32   77      7   13   22   25   27   31   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     D    31_A     D    31_A     21   32   77      7   13   21   25   27   34   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     M    32_A     M    32_A     16   32   77      7   13   16   21   26   33   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     M    33_A     M    33_A     16   32   77      7   13   16   19   23   31   38   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     I    34_A     I    34_A     16   32   77      7   12   21   25   27   34   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     D    35_A     D    35_A     16   32   77      7   13   16   22   26   34   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     Q    36_A     Q    36_A     16   30   77      5   13   16   19   23   31   38   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     N    37_A     N    37_A     16   29   77      5   13   16   19   23   31   37   44   49   54   61   66   69   74   80   82   86   89   90   91 
LCS_GDT     P    38_A     P    38_A     16   28   77      5   13   16   19   23   31   37   44   50   54   61   66   69   73   80   82   86   89   90   91 
LCS_GDT     Q    39_A     Q    39_A     16   28   77      5   13   15   19   23   30   37   44   50   54   61   66   69   73   80   82   86   89   90   91 
LCS_GDT     L    40_A     L    40_A     16   28   77      5   13   16   22   26   31   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     R    41_A     R    41_A     16   28   77      5   13   16   22   26   34   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     N    42_A     N    42_A     14   27   77      3    9   15   19   23   32   40   44   50   54   61   66   69   73   80   82   86   89   90   91 
LCS_GDT     M    43_A     M    43_A     13   26   77      5   10   15   19   24   34   40   44   50   54   61   66   69   73   80   82   86   89   90   91 
LCS_GDT     G    44_A     G    44_A     13   26   77      7   10   15   18   23   31   40   44   50   54   61   66   69   73   80   82   86   89   90   91 
LCS_GDT     P    45_A     P    45_A     13   26   77      7   10   15   19   23   31   40   44   50   54   61   66   69   73   80   82   86   89   90   91 
LCS_GDT     E    46_A     E    46_A     13   26   77      7   10   15   19   23   31   40   44   50   54   60   66   69   71   78   81   84   89   89   91 
LCS_GDT     A    47_A     A    47_A     13   26   77      7   10   15   19   23   34   40   44   50   54   61   66   69   73   80   82   86   89   90   91 
LCS_GDT     R    48_A     R    48_A     13   26   77      7   10   15   19   23   34   40   44   50   54   61   66   69   73   80   82   86   89   90   91 
LCS_GDT     Q    49_A     Q    49_A     13   26   77      7   11   15   19   23   31   40   44   50   54   60   66   69   73   80   82   86   89   90   91 
LCS_GDT     M    50_A     M    50_A     13   26   77      7   11   15   19   23   34   40   44   50   54   60   66   69   73   80   82   86   89   90   91 
LCS_GDT     L    51_A     L    51_A     13   26   77      7   11   14   17   22   34   40   44   50   54   61   66   69   73   80   82   86   89   90   91 
LCS_GDT     R    52_A     R    52_A     13   26   77      3   11   14   17   20   23   30   42   50   54   61   66   69   73   80   82   86   89   90   91 
LCS_GDT     P    53_A     P    53_A     13   26   77      7   11   14   17   23   34   40   44   50   54   61   66   69   73   80   82   86   89   90   91 
LCS_GDT     M    54_A     M    54_A     13   26   77      7   11   18   23   27   34   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     F    55_A     F    55_A     13   23   77      7   11   14   17   26   34   40   44   50   54   61   66   69   75   80   82   86   89   90   91 
LCS_GDT     R    56_A     R    56_A     13   23  149      7   11   14   17   20   23   29   40   50   54   61   66   69   75   80   82   86   89  100  112 
LCS_GDT     E    57_A     E    57_A     13   23  150      7   11   14   17   20   28   37   44   50   54   61   66   69   75   80   82   86   91  108  118 
LCS_GDT     M    58_A     M    58_A     13   23  150      4   11   14   18   21   30   37   44   50   54   61   66   69   75   87  101  112  125  136  142 
LCS_GDT     M    59_A     M    59_A     13   23  150      7   11   14   17   20   23   26   34   47   54   61   66   74   90  106  124  135  143  144  146 
LCS_GDT     S    60_A     S    60_A     13   23  150      4   11   14   17   20   23   26   32   44   60   73   89  103  113  128  133  140  143  144  146 
LCS_GDT     N    61_A     N    61_A     13   23  150      4   11   14   17   20   23   29   45   64   80   98  107  117  128  134  140  142  143  144  146 
LCS_GDT     P    62_A     P    62_A     15   23  150     12   15   16   16   24   52   74   90  101  110  119  127  130  134  138  140  142  143  144  146 
LCS_GDT     E    63_A     E    63_A     15   23  150     12   15   16   16   19   23   50   72   90  101  114  125  129  134  138  140  142  143  144  146 
LCS_GDT     S    64_A     S    64_A     15   23  150     12   15   16   16   19   23   28   42   59   74   89  106  114  125  133  140  142  143  144  146 
LCS_GDT     M    65_A     M    65_A     15   23  150     12   15   16   16   20   32   56   78   92  103  112  122  130  134  138  140  142  143  144  146 
LCS_GDT     R    66_A     R    66_A     15   23  150     12   15   16   35   65   83   97  111  119  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     S    67_A     S    67_A     15   23  150     12   15   16   17   20   27   34   44   78  100  114  125  129  134  138  140  142  143  144  146 
LCS_GDT     M    68_A     M    68_A     15   23  150     12   15   16   16   19   28   47   67   83   98  108  119  129  134  138  140  142  143  144  146 
LCS_GDT     M    69_A     M    69_A     15   22  150     12   15   16   16   58   79  100  111  119  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     N    70_A     N    70_A     15   22  150     12   15   16   33   55   84  101  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     M    71_A     M    71_A     15   19  150     12   15   16   16   19   26   41   67   97  107  121  127  130  134  138  140  142  143  144  146 
LCS_GDT     G    72_A     G    72_A     15   93  150     12   15   16   16   18   70   87  103  117  124  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     R    73_A     R    73_A     15   93  150     12   43   86  103  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A    74_A     A    74_A     15   93  150     12   15   16   16   34   50   99  110  117  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     W    75_A     W    75_A     15   94  150     12   15   16   16   46   82   97  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G    76_A     G    76_A     57   94  150      8   57   90  104  109  110  113  115  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     S    77_A     S    77_A     57   94  150     12   51   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     K    78_A     K    78_A     57   94  150     24   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     K    79_A     K    79_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     I    80_A     I    80_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L    81_A     L    81_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     I    82_A     I    82_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     V    83_A     V    83_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     E    84_A     E    84_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     S    85_A     S    85_A     57   94  150      4   57   87  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D    86_A     D    86_A     57   94  150     30   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     T    87_A     T    87_A     57   94  150     30   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A    88_A     A    88_A     57   94  150     20   62   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L    89_A     L    89_A     57   94  150     26   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     S    90_A     S    90_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A    91_A     A    91_A     57   94  150     28   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     T    92_A     T    92_A     57   94  150     26   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L    93_A     L    93_A     57   94  150     31   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     R    94_A     R    94_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     S    95_A     S    95_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A    96_A     A    96_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L    97_A     L    97_A     57   94  150     31   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     E    98_A     E    98_A     57   94  150     30   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G    99_A     G    99_A     57   94  150     30   62   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     R   100_A     R   100_A     57   94  150     18   59   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G   101_A     G   101_A     57   94  150     17   62   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     F   102_A     F   102_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     T   103_A     T   103_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     V   104_A     V   104_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   105_A     D   105_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     E   106_A     E   106_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     T   107_A     T   107_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     T   108_A     T   108_A     57   94  150     30   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   109_A     D   109_A     57   94  150     30   59   88  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G   110_A     G   110_A     57   94  150     12   62   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     K   111_A     K   111_A     57   94  150      9   48   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G   112_A     G   112_A     57   94  150      5   30   74  103  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     S   113_A     S   113_A     57   94  150     15   53   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     V   114_A     V   114_A     57   94  150      5   53   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     E   115_A     E   115_A     57   94  150      6   26   75  103  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     Q   116_A     Q   116_A     57   94  150     15   53   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     I   117_A     I   117_A     57   94  150     26   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     R   118_A     R   118_A     57   94  150     26   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     R   119_A     R   119_A     57   94  150     26   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   120_A     D   120_A     57   94  150      6   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     R   121_A     R   121_A     57   94  150     29   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     P   122_A     P   122_A     57   94  150     29   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   123_A     D   123_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L   124_A     L   124_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     V   125_A     V   125_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     V   126_A     V   126_A     57   94  150     23   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L   127_A     L   127_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A   128_A     A   128_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     V   129_A     V   129_A     57   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   130_A     D   130_A     57   94  150     29   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L   131_A     L   131_A     57   94  150      7   63   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     S   132_A     S   132_A     57   94  150      3   17   44   91  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A   133_A     A   133_A     56   94  150      3    4   46  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G   134_A     G   134_A     35   94  150      3   14   29   59  107  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     Q   135_A     Q   135_A     35   94  150      7   34   88  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     N   136_A     N   136_A     35   94  150     27   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G   137_A     G   137_A     35   94  150     29   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     Y   138_A     Y   138_A     35   94  150     21   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L   139_A     L   139_A     35   94  150     23   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     I   140_A     I   140_A     35   94  150     24   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     C   141_A     C   141_A     35   94  150     26   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G   142_A     G   142_A     35   94  150     24   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     K   143_A     K   143_A     35   94  150     24   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L   144_A     L   144_A     35   94  150      8   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     K   145_A     K   145_A     35   94  150      8   62   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     K   146_A     K   146_A     35   94  150     14   58   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   147_A     D   147_A     35   94  150     13   52   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   148_A     D   148_A     35   94  150     15   60   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   149_A     D   149_A     35   94  150     15   52   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L   150_A     L   150_A     35   94  150     14   52   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     K   151_A     K   151_A     35   94  150      4   34   88  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     N   152_A     N   152_A     35   94  150      4   52   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     V   153_A     V   153_A     35   94  150     14   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     P   154_A     P   154_A     35   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     I   155_A     I   155_A     35   94  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     V   156_A     V   156_A     35   94  150     24   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     I   157_A     I   157_A     35   94  150     25   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     I   158_A     I   158_A     35   94  150     25   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G   159_A     G   159_A     28   94  150     27   64   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     N   160_A     N   160_A     28   94  150     25   64   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     P   161_A     P   161_A     27   94  150     12   52   88  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   162_A     D   162_A     10   94  150      3   12   58   80   97  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G   163_A     G   163_A      4   94  150      3    4    7   15   35   77  104  111  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     F   164_A     F   164_A      7   94  150      4    7    7    8   10   10   25   50   97  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A   165_A     A   165_A      7   94  150      5    7   13   28   61   87  107  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     Q   166_A     Q   166_A      7   94  150      5    7   16   23   30   84   99  114  118  123  126  129  131  133  138  140  142  143  144  146 
LCS_GDT     H   167_A     H   167_A      7   94  150      5    7   51   81   95  105  113  115  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     R   168_A     R   168_A      7   94  150      5    8   21   50   79  103  112  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     K   169_A     K   169_A      7   10  150      5    7    7    8   10   12   43   67   90  107  118  125  131  132  138  140  142  143  144  146 
LCS_GDT     L   170_A     L   170_A      7   26  150      5    7    7    8   10   10   10   22   28   94  117  128  131  132  135  138  141  143  144  146 
LCS_GDT     K   171_A     K   171_A      4   27  150      3    4    5    7   10   32   80  111  117  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A   172_A     A   172_A      4   27  150      3   19   45   75   95  109  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     H   173_A     H   173_A     23   27  150      6   45   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A   174_A     A   174_A     23   27  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   175_A     D   175_A     23   27  150     25   64   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     E   176_A     E   176_A     23   27  150     25   64   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     Y   177_A     Y   177_A     23   27  150     21   64   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     V   178_A     V   178_A     23   27  150     17   61   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A   179_A     A   179_A     23   27  150     25   64   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     K   180_A     K   180_A     23   27  150      4   55   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     P   181_A     P   181_A     23   27  150      3   46   85  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     V   182_A     V   182_A     23   27  150      4   12   55  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   183_A     D   183_A     23   27  150     30   62   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A   184_A     A   184_A     23   27  150     17   60   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     D   185_A     D   185_A     23   27  150     17   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     Q   186_A     Q   186_A     23   27  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L   187_A     L   187_A     23   27  150     31   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     V   188_A     V   188_A     23   27  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     E   189_A     E   189_A     23   27  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     R   190_A     R   190_A     23   27  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A   191_A     A   191_A     23   27  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G   192_A     G   192_A     23   27  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     A   193_A     A   193_A     23   27  150     32   65   94  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     L   194_A     L   194_A     23   27  150     13   58   91  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     I   195_A     I   195_A     23   28  150     18   53   87  104  109  110  113  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     G   196_A     G   196_A      5   28  150      3    6   32   50   73  101  111  115  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     F   197_A     F   197_A      5   28  150      3    5   17   38   68   91  109  115  118  123  125  129  131  132  137  139  142  143  144  146 
LCS_GDT     P   198_A     P   198_A      4   28  150      3    8   13   16   23   29   36   71   82  110  121  124  127  131  134  136  141  143  144  146 
LCS_GDT     E   199_A     E   199_A     23   28  150      3    4   18   24   27   28   30   31   47   92  105  122  126  131  135  139  142  143  144  146 
LCS_GDT     G   200_A     G   200_A     23   28  150      3   21   28   40   67   89  108  116  120  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     N   201_A     N   201_A     23   28  150      3   21   23   25   48   73   89  103  115  125  127  129  131  134  138  140  142  143  144  146 
LCS_GDT     S   202_A     S   202_A     23   28  150     14   21   23   24   27   28   30   31   44   70   89  106  117  128  138  140  142  143  144  146 
LCS_GDT     M   203_A     M   203_A     23   28  150     13   21   23   24   28   44   60   79   92  103  112  121  130  134  138  140  142  143  144  146 
LCS_GDT     M   204_A     M   204_A     23   28  150     15   21   23   24   32   46   56   68   83   95  106  117  128  132  138  140  142  143  144  146 
LCS_GDT     I   205_A     I   205_A     23   28  150     15   21   23   24   27   28   30   32   50   57   66   74   85   97  112  123  133  143  144  146 
LCS_GDT     A   206_A     A   206_A     23   28  150     15   21   23   24   27   28   30   32   42   54   61   70   79   90  100  115  126  136  143  146 
LCS_GDT     L   207_A     L   207_A     23   28  150     15   21   23   24   27   28   30   33   44   56   64   73   80   89  101  115  123  132  143  146 
LCS_GDT     G   208_A     G   208_A     23   28  150     15   21   23   24   27   28   30   31   38   46   59   64   68   75   80   85   94  107  119  127 
LCS_GDT     V   209_A     V   209_A     23   28  146     15   21   23   24   27   28   30   31   34   35   37   53   64   75   78   82   86   89   90   96 
LCS_GDT     A   210_A     A   210_A     23   28   34     15   21   23   24   27   28   30   31   34   35   41   49   62   75   78   82   86   89   97  107 
LCS_GDT     C   211_A     C   211_A     23   28   34     15   21   23   24   27   28   30   31   34   43   48   52   58   62   66   73   80   86   95  107 
LCS_GDT     A   212_A     A   212_A     23   28   34     15   21   23   24   27   28   30   31   34   36   42   46   53   56   59   64   68   73   82   83 
LCS_GDT     I   213_A     I   213_A     23   28   34     14   21   23   24   27   28   30   31   34   35   37   38   38   41   42   44   50   56   61   64 
LCS_GDT     A   214_A     A   214_A     23   28   34     15   21   23   24   27   28   30   31   34   35   37   38   38   41   42   44   50   51   79   81 
LCS_GDT     L   215_A     L   215_A     23   28   34     15   21   23   24   27   28   30   31   34   35   37   38   38   41   42   44   47   49   53   57 
LCS_GDT     A   216_A     A   216_A     23   28   34     15   21   23   24   27   28   30   31   34   35   37   38   38   41   42   44   47   49   53   57 
LCS_GDT     I   217_A     I   217_A     23   28   34     15   21   23   24   27   28   30   31   34   35   37   38   38   41   42   44   47   49   53   57 
LCS_GDT     A   218_A     A   218_A     23   28   34     15   21   23   24   27   28   30   31   34   35   37   38   38   41   42   44   47   49   53   57 
LCS_GDT     A   219_A     A   219_A     23   28   34      8   21   23   24   27   28   30   31   34   35   37   38   38   41   42   44   47   49   53   56 
LCS_GDT     V   220_A     V   220_A     23   28   34      4   17   23   24   27   28   30   31   34   35   37   38   38   41   42   44   47   49   53   56 
LCS_GDT     Y   221_A     Y   221_A     23   28   34     15   21   23   24   27   28   30   31   34   35   37   38   38   41   42   44   47   49   53   56 
LCS_GDT     F   222_A     F   222_A     23   28   34      3    4   16   23   27   28   30   31   34   35   37   38   38   41   42   44   47   49   53   56 
LCS_AVERAGE  LCS_A:  31.84  (  13.63   25.56   56.35 )

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     32     65     94    104    109    110    113    116    120    125    127    129    131    134    138    140    142    143    144    146 
GDT PERCENT_AT  14.41  29.28  42.34  46.85  49.10  49.55  50.90  52.25  54.05  56.31  57.21  58.11  59.01  60.36  62.16  63.06  63.96  64.41  64.86  65.77
GDT RMS_LOCAL    0.33   0.65   0.95   1.06   1.16   1.19   1.36   1.85   1.98   2.34   2.47   2.55   2.70   3.31   3.58   3.82   3.90   3.95   4.00   4.27
GDT RMS_ALL_AT  21.85  21.55  21.38  21.41  21.44  21.42  21.47  21.38  21.46  21.28  21.11  21.19  21.20  20.47  20.30  20.16  20.27  20.26  20.33  20.04

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  F    16_A      F    16_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:  D   105_A      D   105_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  D   149_A      D   149_A
#   possible swapping detected:  F   164_A      F   164_A
#   possible swapping detected:  E   176_A      E   176_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   199_A      E   199_A
#   possible swapping detected:  Y   221_A      Y   221_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     7.288     0    0.287   0.287     8.263    7.381    7.381
LGA    P     2_A      P     2_A    10.788     0    0.628   0.579    12.242    1.071    0.680
LGA    H     3_A      H     3_A    10.394     0    0.579   1.573    10.823    0.000    5.381
LGA    M     4_A      M     4_A     9.313     0    0.223   0.385    10.258    0.595    4.464
LGA    E     5_A      E     5_A    12.885     0    0.029   1.371    19.056    0.000    0.000
LGA    Q     6_A      Q     6_A    15.433     0    0.021   0.764    24.231    0.000    0.000
LGA    L     7_A      L     7_A    11.793     0    0.014   0.156    14.236    0.000    0.000
LGA    E     8_A      E     8_A     8.840     0    0.081   0.820     9.943    1.310    4.127
LGA    G     9_A      G     9_A    13.172     0    0.028   0.028    13.363    0.000    0.000
LGA    I    10_A      I    10_A    14.435     0    0.052   0.095    18.300    0.000    0.000
LGA    M    11_A      M    11_A    10.445     0    0.033   1.257    11.506    0.238    0.298
LGA    L    12_A      L    12_A     9.361     0    0.017   0.081    10.612    0.476    1.250
LGA    S    13_A      S    13_A    13.350     0    0.101   0.657    16.780    0.000    0.000
LGA    P    14_A      P    14_A    13.534     0    0.020   0.043    15.354    0.000    0.000
LGA    A    15_A      A    15_A    18.870     0    0.020   0.025    20.691    0.000    0.000
LGA    F    16_A      F    16_A    17.716     0    0.053   1.408    19.835    0.000    0.000
LGA    Q    17_A      Q    17_A    15.198     0    0.020   0.656    17.695    0.000    0.000
LGA    E    18_A      E    18_A    18.689     0    0.022   1.053    22.021    0.000    0.000
LGA    Q    19_A      Q    19_A    23.409     0    0.008   0.244    27.244    0.000    0.000
LGA    M    20_A      M    20_A    22.465     0    0.020   0.168    24.693    0.000    0.000
LGA    N    21_A      N    21_A    22.285     0    0.023   1.237    25.997    0.000    0.000
LGA    A    22_A      A    22_A    27.368     0    0.023   0.029    31.006    0.000    0.000
LGA    L    23_A      L    23_A    30.393     0    0.077   1.437    32.907    0.000    0.000
LGA    M    24_A      M    24_A    30.004     0    0.195   1.224    32.546    0.000    0.000
LGA    L    25_A      L    25_A    31.421     0    0.197   1.341    35.575    0.000    0.000
LGA    D    26_A      D    26_A    38.163     0    0.094   1.064    43.439    0.000    0.000
LGA    P    27_A      P    27_A    41.344     0    0.114   0.400    43.835    0.000    0.000
LGA    R    28_A      R    28_A    46.325     0    0.091   1.227    50.950    0.000    0.000
LGA    M    29_A      M    29_A    41.371     0    0.089   0.799    42.727    0.000    0.000
LGA    L    30_A      L    30_A    39.019     0    0.037   0.299    41.644    0.000    0.000
LGA    D    31_A      D    31_A    46.296     0    0.007   0.130    49.397    0.000    0.000
LGA    M    32_A      M    32_A    47.604     0    0.020   0.247    50.165    0.000    0.000
LGA    M    33_A      M    33_A    41.701     0    0.029   0.832    43.373    0.000    0.000
LGA    I    34_A      I    34_A    44.301     0    0.019   0.094    47.319    0.000    0.000
LGA    D    35_A      D    35_A    51.192     0    0.114   1.063    54.170    0.000    0.000
LGA    Q    36_A      Q    36_A    49.377     0    0.057   1.100    49.670    0.000    0.000
LGA    N    37_A      N    37_A    46.726     0    0.066   0.986    48.720    0.000    0.000
LGA    P    38_A      P    38_A    52.407     0    0.054   0.061    53.509    0.000    0.000
LGA    Q    39_A      Q    39_A    48.433     0    0.060   1.050    49.244    0.000    0.000
LGA    L    40_A      L    40_A    47.048     0    0.147   1.109    49.694    0.000    0.000
LGA    R    41_A      R    41_A    52.956     0    0.099   1.357    59.505    0.000    0.000
LGA    N    42_A      N    42_A    57.053     0    0.046   1.104    61.039    0.000    0.000
LGA    M    43_A      M    43_A    52.681     0    0.132   1.040    54.842    0.000    0.000
LGA    G    44_A      G    44_A    56.673     0    0.068   0.068    56.673    0.000    0.000
LGA    P    45_A      P    45_A    55.575     0    0.041   0.276    60.271    0.000    0.000
LGA    E    46_A      E    46_A    53.427     0    0.025   1.181    59.081    0.000    0.000
LGA    A    47_A      A    47_A    48.079     0    0.023   0.022    50.534    0.000    0.000
LGA    R    48_A      R    48_A    46.371     0    0.039   1.167    54.235    0.000    0.000
LGA    Q    49_A      Q    49_A    46.234     0    0.059   1.202    51.673    0.000    0.000
LGA    M    50_A      M    50_A    41.860     0    0.219   1.161    46.067    0.000    0.000
LGA    L    51_A      L    51_A    37.101     0    0.062   0.136    39.577    0.000    0.000
LGA    R    52_A      R    52_A    35.640     0    0.073   1.082    45.078    0.000    0.000
LGA    P    53_A      P    53_A    34.328     0    0.065   0.326    38.196    0.000    0.000
LGA    M    54_A      M    54_A    31.203     0    0.095   1.083    37.357    0.000    0.000
LGA    F    55_A      F    55_A    27.237     0    0.040   1.206    29.160    0.000    0.000
LGA    R    56_A      R    56_A    26.358     0    0.017   1.266    37.203    0.000    0.000
LGA    E    57_A      E    57_A    25.355     0    0.039   0.757    30.128    0.000    0.000
LGA    M    58_A      M    58_A    20.542     0    0.031   0.610    22.693    0.000    0.000
LGA    M    59_A      M    59_A    17.620     0    0.039   0.726    19.283    0.000    0.000
LGA    S    60_A      S    60_A    18.453     0    0.044   0.732    23.063    0.000    0.000
LGA    N    61_A      N    61_A    16.356     0    0.046   0.954    18.478    0.000    0.000
LGA    P    62_A      P    62_A    11.706     0    0.366   0.574    12.814    0.000    0.408
LGA    E    63_A      E    63_A    13.531     0    0.014   0.705    16.012    0.000    0.000
LGA    S    64_A      S    64_A    16.385     0    0.046   0.626    18.298    0.000    0.000
LGA    M    65_A      M    65_A    12.305     0    0.020   0.898    13.596    0.119    0.060
LGA    R    66_A      R    66_A     7.681     0    0.013   1.279     9.260    4.643   13.550
LGA    S    67_A      S    67_A    12.447     0    0.027   0.169    15.656    0.000    0.000
LGA    M    68_A      M    68_A    12.477     0    0.015   1.042    17.271    0.119    0.060
LGA    M    69_A      M    69_A     6.452     0    0.014   1.154     8.560   20.833   17.976
LGA    N    70_A      N    70_A     6.653     0    0.022   1.118     8.568   11.905    9.048
LGA    M    71_A      M    71_A    10.230     0    0.025   1.215    18.435    2.262    1.131
LGA    G    72_A      G    72_A     6.973     0    0.069   0.069     7.830   22.262   22.262
LGA    R    73_A      R    73_A     1.469     0    0.024   1.249    10.826   57.857   34.978
LGA    A    74_A      A    74_A     7.034     0    0.009   0.014     9.438   14.881   12.190
LGA    W    75_A      W    75_A     6.197     0    0.095   0.678    18.336   30.238    8.980
LGA    G    76_A      G    76_A     2.358     0    0.019   0.019     4.660   54.524   54.524
LGA    S    77_A      S    77_A     1.458     0    0.282   0.536     2.956   73.214   71.905
LGA    K    78_A      K    78_A     0.752     0    0.043   0.724     3.289   88.214   82.011
LGA    K    79_A      K    79_A     0.979     0    0.073   0.489     1.555   90.476   84.550
LGA    I    80_A      I    80_A     0.724     0    0.042   0.079     0.852   90.476   90.476
LGA    L    81_A      L    81_A     0.725     0    0.018   0.056     0.840   90.476   90.476
LGA    I    82_A      I    82_A     0.425     0    0.011   0.096     0.754   95.238   96.429
LGA    V    83_A      V    83_A     0.593     0    0.027   0.112     0.636   90.476   90.476
LGA    E    84_A      E    84_A     0.904     0    0.067   1.206     4.702   83.810   69.101
LGA    S    85_A      S    85_A     2.186     0    0.066   0.060     2.724   68.810   64.921
LGA    D    86_A      D    86_A     1.092     0    0.040   0.241     1.328   83.690   82.560
LGA    T    87_A      T    87_A     1.144     0    0.022   1.022     2.759   83.690   79.252
LGA    A    88_A      A    88_A     1.344     0    0.013   0.014     1.621   81.429   79.714
LGA    L    89_A      L    89_A     1.080     0    0.050   0.133     1.394   85.952   83.690
LGA    S    90_A      S    90_A     0.262     0    0.013   0.631     2.031   97.619   92.540
LGA    A    91_A      A    91_A     0.591     0    0.013   0.017     1.029   97.619   94.381
LGA    T    92_A      T    92_A     0.612     0    0.034   0.106     1.260   90.476   86.599
LGA    L    93_A      L    93_A     0.705     0    0.036   1.406     4.390   90.476   72.083
LGA    R    94_A      R    94_A     0.668     0    0.038   0.092     1.113   90.476   88.009
LGA    S    95_A      S    95_A     0.810     0    0.044   0.111     1.096   88.214   87.460
LGA    A    96_A      A    96_A     0.977     0    0.009   0.022     1.309   85.952   85.048
LGA    L    97_A      L    97_A     1.336     0    0.017   0.056     1.534   79.286   80.357
LGA    E    98_A      E    98_A     1.544     0    0.029   0.139     1.893   75.000   78.571
LGA    G    99_A      G    99_A     1.893     0    0.013   0.013     2.288   68.810   68.810
LGA    R   100_A      R   100_A     2.286     0    0.094   1.598     8.134   64.762   45.022
LGA    G   101_A      G   101_A     2.322     0    0.035   0.035     2.322   66.786   66.786
LGA    F   102_A      F   102_A     1.433     0    0.011   0.126     1.726   77.143   79.870
LGA    T   103_A      T   103_A     1.415     0    0.026   0.086     1.865   81.429   77.755
LGA    V   104_A      V   104_A     1.162     0    0.045   0.103     1.330   81.429   81.429
LGA    D   105_A      D   105_A     1.172     0    0.040   0.312     2.123   83.690   80.476
LGA    E   106_A      E   106_A     0.894     0    0.031   0.088     1.124   88.214   89.471
LGA    T   107_A      T   107_A     0.996     0    0.105   0.170     1.502   90.476   85.374
LGA    T   108_A      T   108_A     1.413     0    0.086   0.200     1.978   77.143   76.531
LGA    D   109_A      D   109_A     2.103     0    0.151   0.439     4.947   77.381   63.155
LGA    G   110_A      G   110_A     1.362     0    0.048   0.048     1.514   79.286   79.286
LGA    K   111_A      K   111_A     1.193     0    0.080   1.045     6.091   79.524   64.815
LGA    G   112_A      G   112_A     1.940     0    0.194   0.194     1.940   75.000   75.000
LGA    S   113_A      S   113_A     1.071     0    0.078   0.582     2.388   83.810   81.746
LGA    V   114_A      V   114_A     1.181     0    0.018   0.033     1.745   77.143   77.755
LGA    E   115_A      E   115_A     2.210     0    0.071   0.938     7.765   72.976   47.407
LGA    Q   116_A      Q   116_A     1.146     0    0.012   0.840     2.030   88.333   80.741
LGA    I   117_A      I   117_A     0.445     0    0.019   0.075     0.785   92.857   92.857
LGA    R   118_A      R   118_A     1.206     0    0.030   1.276     5.040   81.548   66.147
LGA    R   119_A      R   119_A     1.223     0    0.089   1.263     4.381   79.286   70.000
LGA    D   120_A      D   120_A     0.901     0    0.543   0.906     3.821   84.048   71.012
LGA    R   121_A      R   121_A     0.666     0    0.319   0.857     5.628   85.952   64.459
LGA    P   122_A      P   122_A     0.804     0    0.012   0.086     1.523   90.476   85.374
LGA    D   123_A      D   123_A     0.420     0    0.036   0.064     0.623   97.619   96.429
LGA    L   124_A      L   124_A     0.253     0    0.058   0.733     1.587  100.000   93.095
LGA    V   125_A      V   125_A     0.544     0    0.028   0.030     0.660   90.476   91.837
LGA    V   126_A      V   126_A     0.736     0    0.017   0.027     0.891   92.857   91.837
LGA    L   127_A      L   127_A     0.493     0    0.077   1.325     2.822   97.619   85.536
LGA    A   128_A      A   128_A     0.378     0    0.047   0.059     0.705   97.619   96.190
LGA    V   129_A      V   129_A     0.648     0    0.055   0.095     1.063   92.857   90.544
LGA    D   130_A      D   130_A     0.720     0    0.259   0.983     3.293   86.071   76.786
LGA    L   131_A      L   131_A     1.554     0    0.426   0.429     2.539   69.048   76.429
LGA    S   132_A      S   132_A     3.518     0    0.669   0.573     5.128   53.810   45.476
LGA    A   133_A      A   133_A     2.028     0    0.330   0.321     2.960   73.095   69.905
LGA    G   134_A      G   134_A     2.803     0    0.312   0.312     2.803   64.881   64.881
LGA    Q   135_A      Q   135_A     2.172     0    0.172   0.831     3.677   61.071   54.233
LGA    N   136_A      N   136_A     0.879     0    0.057   0.181     1.223   88.214   88.214
LGA    G   137_A      G   137_A     0.827     0    0.027   0.027     0.827   90.476   90.476
LGA    Y   138_A      Y   138_A     0.842     0    0.019   1.248     9.823   90.476   50.913
LGA    L   139_A      L   139_A     1.004     0    0.039   0.060     1.225   88.214   84.821
LGA    I   140_A      I   140_A     0.742     0    0.016   0.055     0.889   90.476   90.476
LGA    C   141_A      C   141_A     0.897     0    0.038   0.804     1.582   85.952   83.016
LGA    G   142_A      G   142_A     1.198     0    0.097   0.097     1.478   81.429   81.429
LGA    K   143_A      K   143_A     0.816     0    0.058   0.338     1.388   88.214   89.524
LGA    L   144_A      L   144_A     1.006     0    0.023   0.116     1.522   81.548   86.012
LGA    K   145_A      K   145_A     1.666     0    0.110   0.698     3.930   69.048   62.698
LGA    K   146_A      K   146_A     1.936     0    0.019   0.585     2.208   68.810   72.011
LGA    D   147_A      D   147_A     1.916     0    0.053   0.210     2.210   72.857   71.845
LGA    D   148_A      D   148_A     1.835     0    0.020   0.721     2.942   72.857   66.905
LGA    D   149_A      D   149_A     1.865     0    0.116   0.442     3.569   72.857   67.143
LGA    L   150_A      L   150_A     1.349     0    0.055   1.124     3.036   79.286   74.524
LGA    K   151_A      K   151_A     2.237     0    0.033   0.776     7.725   66.786   48.677
LGA    N   152_A      N   152_A     1.790     0    0.079   1.060     3.977   75.000   67.202
LGA    V   153_A      V   153_A     0.924     0    0.025   0.052     1.471   88.214   86.599
LGA    P   154_A      P   154_A     0.350     0    0.054   0.096     0.632  100.000   95.918
LGA    I   155_A      I   155_A     0.419     0    0.053   0.246     0.775  100.000   97.619
LGA    V   156_A      V   156_A     0.511     0    0.070   0.076     0.847   92.857   91.837
LGA    I   157_A      I   157_A     0.443     0    0.026   0.207     0.916   95.238   95.238
LGA    I   158_A      I   158_A     0.301     0    0.071   1.101     2.877   95.238   82.500
LGA    G   159_A      G   159_A     0.860     0    0.159   0.159     1.362   88.214   88.214
LGA    N   160_A      N   160_A     0.696     0    0.070   0.428     1.860   88.214   88.333
LGA    P   161_A      P   161_A     1.532     0    0.081   0.217     3.213   65.357   72.245
LGA    D   162_A      D   162_A     3.718     0    0.080   0.993     7.602   39.524   29.464
LGA    G   163_A      G   163_A     5.580     0    0.694   0.694     5.580   27.738   27.738
LGA    F   164_A      F   164_A     6.026     0    0.153   1.594    12.537   26.786   10.606
LGA    A   165_A      A   165_A     5.693     0    0.079   0.081     7.418   26.429   23.143
LGA    Q   166_A      Q   166_A     5.899     0    0.060   1.147    12.236   25.476   12.751
LGA    H   167_A      H   167_A     4.437     0    0.062   1.165    12.886   45.119   20.095
LGA    R   168_A      R   168_A     4.656     0    0.045   0.970    15.500   32.262   13.074
LGA    K   169_A      K   169_A     7.913     0    0.161   0.624    14.485    9.643    4.339
LGA    L   170_A      L   170_A     7.534     0    0.579   1.444    11.711   15.952    8.810
LGA    K   171_A      K   171_A     6.245     0    0.011   0.206    11.882   23.452   11.587
LGA    A   172_A      A   172_A     3.997     0    0.161   0.176     5.232   49.762   45.048
LGA    H   173_A      H   173_A     1.757     0    0.579   1.173     7.037   79.405   44.381
LGA    A   174_A      A   174_A     0.261     0    0.042   0.056     0.708   97.619   98.095
LGA    D   175_A      D   175_A     0.697     0    0.034   0.115     1.124   90.476   88.214
LGA    E   176_A      E   176_A     0.598     0    0.050   0.518     2.623   90.476   81.958
LGA    Y   177_A      Y   177_A     0.601     0    0.064   1.338     8.647   88.214   54.563
LGA    V   178_A      V   178_A     0.740     0    0.122   1.100     2.315   90.476   83.129
LGA    A   179_A      A   179_A     0.948     0    0.040   0.056     1.480   90.476   88.667
LGA    K   180_A      K   180_A     1.493     0    0.569   0.939     5.662   60.833   57.460
LGA    P   181_A      P   181_A     2.253     0    0.300   0.291     2.368   64.762   68.299
LGA    V   182_A      V   182_A     2.568     0    0.640   1.010     5.657   52.619   50.544
LGA    D   183_A      D   183_A     1.653     0    0.050   0.664     4.860   77.143   60.655
LGA    A   184_A      A   184_A     1.551     0    0.025   0.032     1.629   72.857   72.857
LGA    D   185_A      D   185_A     1.416     0    0.025   0.526     3.639   81.429   72.440
LGA    Q   186_A      Q   186_A     1.424     0    0.019   1.374     3.897   81.429   72.540
LGA    L   187_A      L   187_A     1.230     0    0.004   1.394     3.762   81.429   73.512
LGA    V   188_A      V   188_A     1.310     0    0.015   0.126     1.781   81.429   80.204
LGA    E   189_A      E   189_A     1.473     0    0.019   0.881     2.073   81.429   78.677
LGA    R   190_A      R   190_A     1.151     0    0.034   1.790     6.812   81.429   60.000
LGA    A   191_A      A   191_A     1.026     0    0.013   0.015     1.089   81.429   81.429
LGA    G   192_A      G   192_A     1.260     0    0.159   0.159     2.006   77.262   77.262
LGA    A   193_A      A   193_A     0.947     0    0.045   0.051     1.062   88.214   88.667
LGA    L   194_A      L   194_A     0.926     0    0.051   0.083     1.810   83.810   81.607
LGA    I   195_A      I   195_A     1.465     0    0.602   1.451     4.825   65.119   74.762
LGA    G   196_A      G   196_A     4.637     0    0.594   0.594     6.755   30.238   30.238
LGA    F   197_A      F   197_A     5.167     0    0.063   1.234     9.708   23.452   16.926
LGA    P   198_A      P   198_A     9.571     0    0.631   0.590    10.872    2.619    1.905
LGA    E   199_A      E   199_A    10.595     0    0.074   0.988    14.213    0.357    0.159
LGA    G   200_A      G   200_A     6.187     0    0.107   0.107     7.987   11.905   11.905
LGA    N   201_A      N   201_A     8.054     0    0.103   1.211    11.642    3.690    2.798
LGA    S   202_A      S   202_A    13.436     0    0.028   0.035    15.341    0.000    0.000
LGA    M   203_A      M   203_A    12.069     0    0.034   0.085    13.844    0.000    0.000
LGA    M   204_A      M   204_A    12.066     0    0.046   1.407    15.854    0.000    0.000
LGA    I   205_A      I   205_A    16.770     0    0.044   0.096    20.021    0.000    0.000
LGA    A   206_A      A   206_A    19.252     0    0.038   0.044    21.450    0.000    0.000
LGA    L   207_A      L   207_A    18.698     0    0.023   0.145    22.115    0.000    0.000
LGA    G   208_A      G   208_A    21.553     0    0.073   0.073    25.378    0.000    0.000
LGA    V   209_A      V   209_A    25.951     0    0.031   0.039    28.762    0.000    0.000
LGA    A   210_A      A   210_A    26.496     0    0.008   0.008    29.279    0.000    0.000
LGA    C   211_A      C   211_A    27.580     0    0.032   0.803    31.335    0.000    0.000
LGA    A   212_A      A   212_A    30.981     0    0.015   0.017    34.704    0.000    0.000
LGA    I   213_A      I   213_A    34.324     0    0.033   0.167    37.339    0.000    0.000
LGA    A   214_A      A   214_A    35.106     0    0.024   0.034    38.382    0.000    0.000
LGA    L   215_A      L   215_A    37.321     0    0.037   0.097    41.254    0.000    0.000
LGA    A   216_A      A   216_A    41.069     0    0.016   0.018    44.716    0.000    0.000
LGA    I   217_A      I   217_A    43.316     0    0.034   0.673    46.570    0.000    0.000
LGA    A   218_A      A   218_A    44.441     0    0.026   0.026    48.418    0.000    0.000
LGA    A   219_A      A   219_A    48.022     0    0.005   0.003    52.264    0.000    0.000
LGA    V   220_A      V   220_A    51.933     0    0.096   0.183    55.161    0.000    0.000
LGA    Y   221_A      Y   221_A    52.534     0    0.090   1.046    55.284    0.000    0.000
LGA    F   222_A      F   222_A    54.185     0    0.505   1.299    55.542    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):    15.239         15.224                 15.672           43.001   39.949

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  222    4.0    116    1.85    47.860    44.006     5.950

LGA_LOCAL      RMSD:   1.850  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.380  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  15.239  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.518079 * X  +   0.253243 * Y  +  -0.816983 * Z  +  32.108620
  Y_new =   0.517485 * X  +  -0.667716 * Y  +  -0.535130 * Z  +  28.652637
  Z_new =  -0.681031 * X  +  -0.700016 * Y  +   0.214880 * Z  +  17.039633 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.356768  0.749170 -1.272963   [DEG:  135.0329   42.9243  -72.9354 ]
ZXZ: -0.990909  1.354227 -2.369941   [DEG:  -56.7749   77.5915 -135.7876 ]
 
# END of job
