
#######################################################
#                                                     #
#                        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  121 (  908),  selected  121 , name one
# Molecule2: number of CA atoms  143 ( 1080),  selected  121 , 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:   121      18_A - 138_A       1.88     1.88
  LCS_AVERAGE:     84.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      18_A - 138_A       1.88     1.88
  LCS_AVERAGE:     84.62

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56      18_A - 73_A        0.95     2.04
  LCS_AVERAGE:     28.94

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
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     D    18_A     D    18_A     56  121  121      4   12   94  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L    19_A     L    19_A     56  121  121     38   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A    20_A     A    20_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     K    21_A     K    21_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L    22_A     L    22_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     Q    23_A     Q    23_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     T    24_A     T    24_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     Q    25_A     Q    25_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I    26_A     I    26_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     G    27_A     G    27_A     56  121  121     44   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     Y    28_A     Y    28_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     K    29_A     K    29_A     56  121  121     23   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     F    30_A     F    30_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     N    31_A     N    31_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     N    32_A     N    32_A     56  121  121     42   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I    33_A     I    33_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     N    34_A     N    34_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L    35_A     L    35_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L    36_A     L    36_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     R    37_A     R    37_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     R    38_A     R    38_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A    39_A     A    39_A     56  121  121     44   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     M    40_A     M    40_A     56  121  121     41   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     T    41_A     T    41_A     56  121  121     46   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     H    42_A     H    42_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A    43_A     A    43_A     56  121  121     32   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S    44_A     S    44_A     56  121  121     31   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     F    45_A     F    45_A     56  121  121     35   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S    46_A     S    46_A     56  121  121      3   28   95  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     Q    47_A     Q    47_A     56  121  121      3    3   85  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     E    48_A     E    48_A     56  121  121      5   42   87  105  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     N    49_A     N    49_A     56  121  121     17   73   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     N    50_A     N    50_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     K    51_A     K    51_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A    52_A     A    52_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L    53_A     L    53_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S    54_A     S    54_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I    55_A     I    55_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     F    56_A     F    56_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     G    57_A     G    57_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     T    58_A     T    58_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     H    59_A     H    59_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I    60_A     I    60_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I    61_A     I    61_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     E    62_A     E    62_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     T    63_A     T    63_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A    64_A     A    64_A     56  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     V    65_A     V    65_A     56  121  121     11   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S    66_A     S    66_A     56  121  121     27   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L    67_A     L    67_A     56  121  121     32   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     Q    68_A     Q    68_A     56  121  121     10   73   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     F    69_A     F    69_A     56  121  121     10   72   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L    70_A     L    70_A     56  121  121     12   72   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A    71_A     A    71_A     56  121  121      6   65   95  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     K    72_A     K    72_A     56  121  121      3   14   42   96  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     D    73_A     D    73_A     56  121  121      3    5   39   99  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I    74_A     I    74_A     36  121  121      5   14   57   99  109  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     D    75_A     D    75_A     36  121  121     12   51   95  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I    76_A     I    76_A     36  121  121     21   65   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S    77_A     S    77_A     36  121  121     12   69   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S    78_A     S    78_A     36  121  121     12   42   95  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     K    79_A     K    79_A     36  121  121     16   68   95  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A    80_A     A    80_A     36  121  121     19   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L    81_A     L    81_A     36  121  121     13   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     G    82_A     G    82_A     36  121  121     13   76   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     R    83_A     R    83_A     36  121  121     12   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L    84_A     L    84_A     36  121  121     12   55   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I    85_A     I    85_A     36  121  121     12   53   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S    86_A     S    86_A     36  121  121     12   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     E    87_A     E    87_A     36  121  121     12   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     V    88_A     V    88_A     36  121  121      7   32   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S    89_A     S    89_A     36  121  121      7   34   90  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     N    90_A     N    90_A     36  121  121     13   68   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     V    91_A     V    91_A     36  121  121      5    7   55   87  108  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     E    92_A     E    92_A     36  121  121      5    7   30   81  106  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S    93_A     S    93_A     36  121  121      5   16   75  105  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S    94_A     S    94_A     36  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     C    95_A     C    95_A     36  121  121     26   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A    96_A     A    96_A     36  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L    97_A     L    97_A     36  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     D    98_A     D    98_A     36  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     G    99_A     G    99_A     36  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     D   100_A     D   100_A     36  121  121     18   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     R   101_A     R   101_A     36  121  121     40   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L   102_A     L   102_A     36  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     G   103_A     G   103_A     36  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L   104_A     L   104_A     36  121  121     40   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     G   105_A     G   105_A     36  121  121     20   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     K   106_A     K   106_A     36  121  121     20   72   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I   107_A     I   107_A     36  121  121     20   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I   108_A     I   108_A     36  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     R   109_A     R   109_A     36  121  121     23   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     V   110_A     V   110_A     36  121  121     10   77   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S   111_A     S   111_A     22  121  121     16   73   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     T   112_A     T   112_A     22  121  121      8   39   76  104  110  113  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     K   113_A     K   113_A     22  121  121      6   32   75  100  110  113  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     T   114_A     T   114_A     22  121  121      7   21   60   95  108  113  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     D   115_A     D   115_A      4  121  121      3    4    5   11   20   25   43   55   86  102  116  119  120  121  121  121  121  121  121  121 
LCS_GDT     A   116_A     A   116_A      4  121  121      0    4    5   11   18   23   29   36   39   55  104  109  117  121  121  121  121  121  121  121 
LCS_GDT     S   117_A     S   117_A      3  121  121      3    7   14   19   47   52   70  103  116  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     N   118_A     N   118_A     21  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     S   119_A     S   119_A     21  121  121     44   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A   120_A     A   120_A     21  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I   121_A     I   121_A     21  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     L   122_A     L   122_A     21  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     C   123_A     C   123_A     21  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     T   124_A     T   124_A     21  121  121     44   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     G   125_A     G   125_A     21  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     F   126_A     F   126_A     21  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     R   127_A     R   127_A     21  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A   128_A     A   128_A     21  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I   129_A     I   129_A     21  121  121     49   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     F   130_A     F   130_A     21  121  121     28   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     G   131_A     G   131_A     21  121  121     32   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A   132_A     A   132_A     21  121  121     35   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I   133_A     I   133_A     21  121  121     26   80   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A   134_A     A   134_A     21  121  121      5   67   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     I   135_A     I   135_A     21  121  121     16   66   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     D   136_A     D   136_A     21  121  121     16   56   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     A   137_A     A   137_A     21  121  121     16   67   96  106  111  114  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_GDT     G   138_A     G   138_A     21  121  121      4   10   42   99  109  113  116  118  118  118  119  119  120  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  66.06  (  28.94   84.62   84.62 )

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     49     80     96    106    111    114    116    118    118    118    119    119    120    121    121    121    121    121    121    121 
GDT PERCENT_AT  34.27  55.94  67.13  74.13  77.62  79.72  81.12  82.52  82.52  82.52  83.22  83.22  83.92  84.62  84.62  84.62  84.62  84.62  84.62  84.62
GDT RMS_LOCAL    0.36   0.57   0.78   0.92   1.07   1.19   1.25   1.35   1.35   1.35   1.49   1.49   1.68   1.88   1.88   1.88   1.88   1.88   1.88   1.88
GDT RMS_ALL_AT   2.07   1.99   1.96   1.95   1.95   1.97   1.95   1.91   1.91   1.91   1.90   1.90   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88

# Checking swapping
#   possible swapping detected:  E    62_A      E    62_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  F   130_A      F   130_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D    18_A      D    18_A     1.749     0    0.146   0.373     3.332   77.143   70.119
LGA    L    19_A      L    19_A     0.450     0    0.044   0.298     1.865   92.857   91.845
LGA    A    20_A      A    20_A     0.652     0    0.026   0.041     0.963   90.476   90.476
LGA    K    21_A      K    21_A     0.688     0    0.065   0.620     1.342   92.857   89.524
LGA    L    22_A      L    22_A     0.562     0    0.039   0.299     1.049   92.857   92.917
LGA    Q    23_A      Q    23_A     0.458     0    0.046   0.908     3.090   95.238   87.090
LGA    T    24_A      T    24_A     0.573     0    0.046   0.096     1.059   90.476   89.184
LGA    Q    25_A      Q    25_A     0.623     0    0.073   0.815     3.250   92.857   83.069
LGA    I    26_A      I    26_A     0.440     0    0.130   1.131     3.079  100.000   83.750
LGA    G    27_A      G    27_A     0.438     0    0.140   0.140     1.130   92.976   92.976
LGA    Y    28_A      Y    28_A     0.388     0    0.025   0.074     0.692   95.238   96.825
LGA    K    29_A      K    29_A     1.050     0    0.096   0.618     2.835   88.214   77.143
LGA    F    30_A      F    30_A     0.587     0    0.039   0.189     0.943   90.476   91.342
LGA    N    31_A      N    31_A     0.516     0    0.089   0.360     0.850   92.857   94.048
LGA    N    32_A      N    32_A     0.790     0    0.076   0.432     1.611   90.476   88.274
LGA    I    33_A      I    33_A     0.778     0    0.129   1.243     3.594   92.857   80.357
LGA    N    34_A      N    34_A     0.679     0    0.058   1.248     4.140   90.476   76.429
LGA    L    35_A      L    35_A     0.371     0    0.029   1.437     3.643   97.619   80.774
LGA    L    36_A      L    36_A     0.293     0    0.045   0.075     0.750   97.619   95.238
LGA    R    37_A      R    37_A     0.600     0    0.069   0.424     2.767   90.476   81.082
LGA    R    38_A      R    38_A     0.309     0    0.073   0.981     3.012  100.000   80.216
LGA    A    39_A      A    39_A     0.506     0    0.046   0.045     0.744   92.857   94.286
LGA    M    40_A      M    40_A     0.660     0    0.162   1.147     4.156   86.071   78.274
LGA    T    41_A      T    41_A     0.385     0    0.025   0.052     0.752  100.000   97.279
LGA    H    42_A      H    42_A     0.410     0    0.049   0.260     2.108   95.238   84.476
LGA    A    43_A      A    43_A     0.726     0    0.042   0.042     1.056   90.476   88.667
LGA    S    44_A      S    44_A     0.916     0    0.025   0.105     1.456   90.476   87.460
LGA    F    45_A      F    45_A     0.584     0    0.067   0.209     2.272   90.476   80.173
LGA    S    46_A      S    46_A     1.549     0    0.070   0.562     2.142   77.262   75.873
LGA    Q    47_A      Q    47_A     2.114     0    0.656   1.242     6.067   61.429   48.148
LGA    E    48_A      E    48_A     2.251     0    0.455   0.610     3.954   61.429   65.979
LGA    N    49_A      N    49_A     1.203     0    0.080   0.931     3.606   83.690   72.798
LGA    N    50_A      N    50_A     0.432     0    0.148   0.582     2.011   97.619   87.500
LGA    K    51_A      K    51_A     0.162     0    0.022   1.189     6.010  100.000   72.381
LGA    A    52_A      A    52_A     0.522     0    0.022   0.036     0.642   92.857   92.381
LGA    L    53_A      L    53_A     0.366     0    0.060   0.926     2.620   95.238   88.869
LGA    S    54_A      S    54_A     0.517     0    0.038   0.719     2.160   92.857   87.778
LGA    I    55_A      I    55_A     0.942     0    0.055   0.114     1.635   90.476   84.881
LGA    F    56_A      F    56_A     0.925     0    0.034   0.889     2.722   88.214   81.818
LGA    G    57_A      G    57_A     0.901     0    0.053   0.053     1.135   85.952   85.952
LGA    T    58_A      T    58_A     0.895     0    0.032   0.978     2.941   88.214   80.748
LGA    H    59_A      H    59_A     1.068     0    0.085   1.236     6.060   85.952   62.714
LGA    I    60_A      I    60_A     1.047     0    0.020   1.251     3.294   83.690   75.476
LGA    I    61_A      I    61_A     1.022     0    0.027   1.031     3.024   85.952   79.821
LGA    E    62_A      E    62_A     0.682     0    0.067   1.222     3.495   92.857   81.217
LGA    T    63_A      T    63_A     0.597     0    0.036   0.929     2.053   90.476   84.286
LGA    A    64_A      A    64_A     0.904     0    0.037   0.039     1.025   90.476   88.667
LGA    V    65_A      V    65_A     0.945     0    0.025   0.992     2.855   90.476   84.422
LGA    S    66_A      S    66_A     0.760     0    0.042   0.667     2.189   90.476   86.190
LGA    L    67_A      L    67_A     0.660     0    0.041   1.404     3.389   88.214   77.202
LGA    Q    68_A      Q    68_A     1.209     0    0.084   1.037     4.443   83.690   74.709
LGA    F    69_A      F    69_A     1.444     0    0.026   0.395     2.344   79.286   76.061
LGA    L    70_A      L    70_A     1.144     0    0.153   1.331     3.897   75.119   68.393
LGA    A    71_A      A    71_A     1.815     0    0.052   0.053     2.810   69.048   69.810
LGA    K    72_A      K    72_A     3.148     0    0.031   1.431     5.482   50.476   47.725
LGA    D    73_A      D    73_A     3.069     0    0.040   0.766     6.349   59.286   46.131
LGA    I    74_A      I    74_A     3.636     0    0.693   0.719     6.066   38.452   35.000
LGA    D    75_A      D    75_A     1.980     0    0.054   0.315     3.277   72.857   66.012
LGA    I    76_A      I    76_A     1.338     0    0.054   0.254     3.113   77.143   70.119
LGA    S    77_A      S    77_A     1.542     0    0.067   0.742     3.787   77.143   70.794
LGA    S    78_A      S    78_A     1.958     0    0.059   0.636     3.787   72.857   66.587
LGA    K    79_A      K    79_A     1.807     0    0.050   0.243     3.695   72.857   65.185
LGA    A    80_A      A    80_A     1.109     0    0.035   0.041     1.327   85.952   85.048
LGA    L    81_A      L    81_A     1.086     0    0.046   1.399     4.492   81.429   68.929
LGA    G    82_A      G    82_A     1.446     0    0.042   0.042     1.446   81.429   81.429
LGA    R    83_A      R    83_A     1.348     0    0.050   0.793     4.536   81.429   73.030
LGA    L    84_A      L    84_A     1.154     0    0.056   0.060     1.730   83.690   81.488
LGA    I    85_A      I    85_A     1.157     0    0.044   0.158     1.305   81.429   81.429
LGA    S    86_A      S    86_A     1.073     0    0.101   0.672     1.221   83.690   82.937
LGA    E    87_A      E    87_A     0.986     0    0.061   0.195     1.487   85.952   83.439
LGA    V    88_A      V    88_A     1.390     0    0.094   1.065     4.026   81.429   72.653
LGA    S    89_A      S    89_A     1.755     0    0.384   0.395     2.806   68.929   67.540
LGA    N    90_A      N    90_A     1.597     0    0.088   0.214     2.216   72.976   71.964
LGA    V    91_A      V    91_A     3.166     0    0.128   0.164     4.131   51.786   47.279
LGA    E    92_A      E    92_A     3.598     0    0.183   0.747     4.072   45.119   53.704
LGA    S    93_A      S    93_A     2.555     0    0.284   0.644     3.421   57.262   57.302
LGA    S    94_A      S    94_A     0.721     0    0.106   0.574     2.205   92.976   87.857
LGA    C    95_A      C    95_A     0.555     0    0.516   0.897     3.169   80.476   80.873
LGA    A    96_A      A    96_A     0.458     0    0.065   0.080     0.752   97.619   98.095
LGA    L    97_A      L    97_A     0.623     0    0.059   0.209     0.698   90.476   92.857
LGA    D    98_A      D    98_A     0.392     0    0.036   0.740     2.455  100.000   87.798
LGA    G    99_A      G    99_A     0.211     0    0.047   0.047     0.687   97.619   97.619
LGA    D   100_A      D   100_A     0.770     0    0.064   0.840     2.642   90.476   79.762
LGA    R   101_A      R   101_A     0.802     0    0.058   0.842     3.177   92.857   80.476
LGA    L   102_A      L   102_A     0.522     0    0.064   1.430     3.355   92.857   79.524
LGA    G   103_A      G   103_A     0.629     0    0.080   0.080     0.743   90.476   90.476
LGA    L   104_A      L   104_A     0.688     0    0.070   0.800     1.995   90.476   86.071
LGA    G   105_A      G   105_A     0.650     0    0.068   0.068     1.483   88.333   88.333
LGA    K   106_A      K   106_A     1.423     0    0.197   0.926     7.446   85.952   56.561
LGA    I   107_A      I   107_A     0.824     0    0.040   0.624     1.493   90.595   88.274
LGA    I   108_A      I   108_A     0.292     0    0.039   1.081     3.757   92.976   77.560
LGA    R   109_A      R   109_A     0.600     0    0.057   1.099     5.134   95.238   80.996
LGA    V   110_A      V   110_A     1.037     0    0.083   1.074     2.535   83.690   76.871
LGA    S   111_A      S   111_A     1.575     0    0.053   0.576     2.118   70.952   73.016
LGA    T   112_A      T   112_A     3.210     0    0.034   1.069     5.563   50.119   45.034
LGA    K   113_A      K   113_A     3.759     0    0.575   1.203     5.683   37.976   55.079
LGA    T   114_A      T   114_A     3.975     0    0.163   0.963     6.850   30.357   41.156
LGA    D   115_A      D   115_A     9.091     0    0.673   0.493    12.084    3.929    1.964
LGA    A   116_A      A   116_A     9.810     0    0.630   0.600    11.078    3.214    2.571
LGA    S   117_A      S   117_A     7.138     0    0.685   0.886    10.021   18.095   12.857
LGA    N   118_A      N   118_A     0.336     0    0.646   1.098     6.801   88.810   59.167
LGA    S   119_A      S   119_A     0.201     0    0.089   0.723     2.310   97.619   92.540
LGA    A   120_A      A   120_A     0.321     0    0.042   0.044     0.523   97.619   98.095
LGA    I   121_A      I   121_A     0.586     0    0.044   1.450     4.750   92.857   77.917
LGA    L   122_A      L   122_A     0.368     0    0.060   0.282     1.391  100.000   95.298
LGA    C   123_A      C   123_A     0.337     0    0.028   0.887     3.010  100.000   91.667
LGA    T   124_A      T   124_A     0.624     0    0.024   1.004     2.015   92.857   85.646
LGA    G   125_A      G   125_A     0.574     0    0.039   0.039     0.759   90.476   90.476
LGA    F   126_A      F   126_A     0.492     0    0.040   0.318     1.520   95.238   88.139
LGA    R   127_A      R   127_A     0.474     0    0.031   1.328     5.533   97.619   79.264
LGA    A   128_A      A   128_A     0.472     0    0.117   0.116     0.651   95.238   96.190
LGA    I   129_A      I   129_A     0.528     0    0.035   0.125     0.898   95.238   92.857
LGA    F   130_A      F   130_A     0.792     0    0.086   0.525     1.542   90.476   87.273
LGA    G   131_A      G   131_A     0.590     0    0.040   0.040     0.751   90.476   90.476
LGA    A   132_A      A   132_A     0.591     0    0.066   0.064     0.911   90.476   90.476
LGA    I   133_A      I   133_A     0.719     0    0.039   0.238     1.134   88.214   88.214
LGA    A   134_A      A   134_A     1.405     0    0.026   0.035     1.739   79.286   78.000
LGA    I   135_A      I   135_A     1.452     0    0.068   1.208     2.655   75.119   72.202
LGA    D   136_A      D   136_A     1.582     0    0.109   0.336     3.166   71.071   69.167
LGA    A   137_A      A   137_A     1.479     0    0.132   0.132     1.983   77.143   78.000
LGA    G   138_A      G   138_A     2.812     0    0.317   0.317     4.347   52.262   52.262

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     908    908  100.00               143
SUMMARY(RMSD_GDC):     1.875          1.886                  2.299           69.930   65.371

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  143    4.0    118    1.35    74.301    78.923     8.163

LGA_LOCAL      RMSD:   1.346  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.914  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.875  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.725955 * X  +  -0.582180 * Y  +   0.366136 * Z  +   9.297254
  Y_new =  -0.642016 * X  +   0.764549 * Y  +  -0.057273 * Z  +  27.337723
  Z_new =  -0.246586 * X  +  -0.276642 * Y  +  -0.928797 * Z  +  37.040928 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.417478  0.249156 -2.852110   [DEG: -138.5113   14.2756 -163.4138 ]
ZXZ:  1.415629  2.761951 -2.413576   [DEG:   81.1096  158.2481 -138.2877 ]
 
# END of job
