
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  123 , 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:   119      14_A - 132_A       4.54     6.87
  LCS_AVERAGE:     94.08

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113      20_A - 132_A       1.72     7.53
  LCS_AVERAGE:     84.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      22_A - 99_A        0.95     7.69
  LCS_AVERAGE:     46.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     H    10_A     H    10_A      4    7   13      3    3    4    6    7    7    8   10   11   12   14   18   18   20   23   26   29   33   44   48 
LCS_GDT     S    11_A     S    11_A      5    7   13      3    4    5    6    7    7    8    9    9   11   14   18   18   20   23   26   29   38   44   48 
LCS_GDT     S    12_A     S    12_A      5    7   16      4    4    5    6    7    7    8   10   11   12   15   18   18   21   23   34   36   37   44   48 
LCS_GDT     G    13_A     G    13_A      5    7   31      4    4    5    6    7    7   14   17   21   23   25   27   29   31   33   35   36   39   44   48 
LCS_GDT     L    14_A     L    14_A      5    7  119      4    4    5    6    7    8   14   17   21   23   25   27   29   31   33   35   36   40   48   52 
LCS_GDT     V    15_A     V    15_A      5    7  119      4    4    5    6    7    7    8   10   17   22   25   27   29   30   33   35   36   40   48   55 
LCS_GDT     P    16_A     P    16_A      5    7  119      3    3    5    5    7    8   14   17   21   23   26   35   46   63   83   97  109  114  117  117 
LCS_GDT     R    17_A     R    17_A      4    7  119      3    4    4    4    6    7    8   16   21   33   50   61   85   96  112  116  116  116  117  117 
LCS_GDT     G    18_A     G    18_A      4    5  119      3    4    4    4    5    6    8   12   15   24   50   61   85  102  112  116  116  116  117  117 
LCS_GDT     S    19_A     S    19_A      4    5  119      3    4    4    5    5    8    9   13   18   39   52   83  103  114  114  116  116  116  117  117 
LCS_GDT     H    20_A     H    20_A      4  113  119      4    4    4    6    8   16   39   74  108  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     M    21_A     M    21_A      4  113  119      4    4    4    7   14   63  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     Q    22_A     Q    22_A     78  113  119      6   68   96  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E    23_A     E    23_A     78  113  119     28   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E    24_A     E    24_A     78  113  119     37   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E    25_A     E    25_A     78  113  119     44   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     F    26_A     F    26_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     H    27_A     H    27_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     K    28_A     K    28_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L    29_A     L    29_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     A    30_A     A    30_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     N    31_A     N    31_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     F    32_A     F    32_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     T    33_A     T    33_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     I    34_A     I    34_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     N    35_A     N    35_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     H    36_A     H    36_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L    37_A     L    37_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L    38_A     L    38_A     78  113  119     39   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E    39_A     E    39_A     78  113  119     37   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     K    40_A     K    40_A     78  113  119     26   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     I    41_A     I    41_A     78  113  119     26   70   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E    42_A     E    42_A     78  113  119     26   74   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     D    43_A     D    43_A     78  113  119     24   74   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     Y    44_A     Y    44_A     78  113  119     26   63   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     G    45_A     G    45_A     78  113  119     26   63   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     D    46_A     D    46_A     78  113  119     10   43   92  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     N    47_A     N    47_A     78  113  119      5   43   92  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     V    48_A     V    48_A     78  113  119     16   63   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     Q    49_A     Q    49_A     78  113  119      7   74   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     I    50_A     I    50_A     78  113  119      5   32   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     D    51_A     D    51_A     78  113  119      3   79   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     G    52_A     G    52_A     78  113  119     32   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     F    53_A     F    53_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     D    54_A     D    54_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     I    55_A     I    55_A     78  113  119     41   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     D    56_A     D    56_A     78  113  119     19   72   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     Y    57_A     Y    57_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     G    58_A     G    58_A     78  113  119     17   80   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     N    59_A     N    59_A     78  113  119      4    7   83  103  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E    60_A     E    60_A     78  113  119      4   36   89  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     V    61_A     V    61_A     78  113  119     28   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L    62_A     L    62_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     T    63_A     T    63_A     78  113  119     44   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L    64_A     L    64_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     K    65_A     K    65_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L    66_A     L    66_A     78  113  119     39   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     G    67_A     G    67_A     78  113  119     33   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     S    68_A     S    68_A     78  113  119     30   81   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L    69_A     L    69_A     78  113  119     27   81   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     G    70_A     G    70_A     78  113  119     41   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     T    71_A     T    71_A     78  113  119     39   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     Y    72_A     Y    72_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     V    73_A     V    73_A     78  113  119     44   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L    74_A     L    74_A     78  113  119     29   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     N    75_A     N    75_A     78  113  119     29   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     K    76_A     K    76_A     78  113  119     29   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     Q    77_A     Q    77_A     78  113  119     29   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     T    78_A     T    78_A     78  113  119     31   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     P    79_A     P    79_A     78  113  119     37   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     N    80_A     N    80_A     78  113  119     41   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     R    81_A     R    81_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     Q    82_A     Q    82_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     I    83_A     I    83_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     W    84_A     W    84_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     M    85_A     M    85_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     S    86_A     S    86_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     S    87_A     S    87_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     P    88_A     P    88_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     V    89_A     V    89_A     78  113  119      4   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     S    90_A     S    90_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     G    91_A     G    91_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     P    92_A     P    92_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     S    93_A     S    93_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     R    94_A     R    94_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     F    95_A     F    95_A     78  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     D    96_A     D    96_A     78  113  119     26   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     W    97_A     W    97_A     78  113  119     30   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     D    98_A     D    98_A     78  113  119     30   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     R    99_A     R    99_A     78  113  119     23   79   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     D   100_A     D   100_A      4  113  119      3    4    7    8   17   34   54  104  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     A   101_A     A   101_A      4  113  119      3    4    5    7   10   11   18   26   43   84  106  112  113  114  114  116  116  116  117  117 
LCS_GDT     N   102_A     N   102_A     31  113  119     10   54   94  104  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     A   103_A     A   103_A     31  113  119     36   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     W   104_A     W   104_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     I   105_A     I   105_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     Y   106_A     Y   106_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     R   107_A     R   107_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     R   108_A     R   108_A     31  113  119     35   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     T   109_A     T   109_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E   110_A     E   110_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     A   111_A     A   111_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     K   112_A     K   112_A     31  113  119     30   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L   113_A     L   113_A     31  113  119     28   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     H   114_A     H   114_A     31  113  119     44   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     K   115_A     K   115_A     31  113  119     16   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L   116_A     L   116_A     31  113  119     28   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L   117_A     L   117_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E   118_A     E   118_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E   119_A     E   119_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E   120_A     E   120_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L   121_A     L   121_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E   122_A     E   122_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     N   123_A     N   123_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L   124_A     L   124_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     C   125_A     C   125_A     31  113  119     39   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     G   126_A     G   126_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     E   127_A     E   127_A     31  113  119     45   82   98  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     P   128_A     P   128_A     31  113  119      6   69   96  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     I   129_A     I   129_A     31  113  119     16   78   95  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     Q   130_A     Q   130_A     31  113  119     12   74   93  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     L   131_A     L   131_A     31  113  119     12   75   96  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_GDT     S   132_A     S   132_A     31  113  119     25   81   97  105  108  109  110  110  110  111  112  112  113  114  114  116  116  116  117  117 
LCS_AVERAGE  LCS_A:  75.30  (  46.98   84.84   94.08 )

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     45     82     98    105    108    109    110    110    110    111    112    112    113    114    114    116    116    116    117    117 
GDT PERCENT_AT  36.59  66.67  79.67  85.37  87.80  88.62  89.43  89.43  89.43  90.24  91.06  91.06  91.87  92.68  92.68  94.31  94.31  94.31  95.12  95.12
GDT RMS_LOCAL    0.34   0.57   0.77   0.88   0.95   0.98   1.08   1.08   1.08   1.29   1.52   1.52   1.72   2.13   2.13   2.94   2.94   2.94   3.38   3.38
GDT RMS_ALL_AT   7.65   7.63   7.67   7.64   7.66   7.65   7.63   7.63   7.63   7.61   7.55   7.55   7.53   7.43   7.43   7.21   7.21   7.21   7.09   7.09

# Checking swapping
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  F    32_A      F    32_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  D   100_A      D   100_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    32.979     0    0.686   1.282    35.229    0.000    0.000
LGA    S    11_A      S    11_A    33.109     0    0.686   0.732    33.389    0.000    0.000
LGA    S    12_A      S    12_A    31.733     0    0.143   0.682    32.519    0.000    0.000
LGA    G    13_A      G    13_A    30.829     0    0.153   0.153    31.097    0.000    0.000
LGA    L    14_A      L    14_A    27.751     3    0.232   0.250    28.906    0.000    0.000
LGA    V    15_A      V    15_A    25.803     0    0.140   1.014    28.994    0.000    0.000
LGA    P    16_A      P    16_A    20.842     0    0.626   0.541    23.892    0.000    0.000
LGA    R    17_A      R    17_A    17.335     6    0.642   0.610    18.451    0.000    0.000
LGA    G    18_A      G    18_A    17.089     0    0.079   0.079    17.749    0.000    0.000
LGA    S    19_A      S    19_A    14.452     0    0.549   0.721    17.030    0.000    0.000
LGA    H    20_A      H    20_A     8.758     5    0.101   0.113    10.644    8.333    4.048
LGA    M    21_A      M    21_A     4.667     0    0.184   1.161    10.026   29.524   19.702
LGA    Q    22_A      Q    22_A     1.731     0    0.254   1.171     7.819   81.548   48.889
LGA    E    23_A      E    23_A     0.749     0    0.078   0.184     1.260   90.595   86.508
LGA    E    24_A      E    24_A     0.817     4    0.042   0.047     1.062   90.476   49.259
LGA    E    25_A      E    25_A     0.562     0    0.081   1.308     5.976   95.238   70.212
LGA    F    26_A      F    26_A     0.344     0    0.065   0.159     0.967  100.000   94.805
LGA    H    27_A      H    27_A     0.420     0    0.037   0.260     0.970   97.619   96.190
LGA    K    28_A      K    28_A     0.341     0    0.030   0.553     1.655  100.000   94.868
LGA    L    29_A      L    29_A     0.163     0    0.031   1.090     2.683  100.000   90.238
LGA    A    30_A      A    30_A     0.136     0    0.032   0.042     0.202  100.000  100.000
LGA    N    31_A      N    31_A     0.271     0    0.087   0.550     1.793   97.619   89.702
LGA    F    32_A      F    32_A     0.296     0    0.023   0.879     5.034  100.000   70.433
LGA    T    33_A      T    33_A     0.202     0    0.036   0.061     0.351  100.000  100.000
LGA    I    34_A      I    34_A     0.168     0    0.031   0.173     0.784  100.000   98.810
LGA    N    35_A      N    35_A     0.327     0    0.030   1.204     4.200  100.000   80.655
LGA    H    36_A      H    36_A     0.419     0    0.041   1.172     5.653   97.619   70.857
LGA    L    37_A      L    37_A     0.381     0    0.041   0.164     0.733  100.000   97.619
LGA    L    38_A      L    38_A     0.618     0    0.050   0.172     0.718   90.476   94.048
LGA    E    39_A      E    39_A     0.740     0    0.027   0.716     3.293   90.476   76.561
LGA    K    40_A      K    40_A     0.898     0    0.078   0.824     3.405   85.952   79.947
LGA    I    41_A      I    41_A     1.325     0    0.072   0.681     1.651   81.429   78.214
LGA    E    42_A      E    42_A     1.390     0    0.037   0.643     2.812   81.429   73.228
LGA    D    43_A      D    43_A     1.390     0    0.058   0.479     2.055   77.143   79.524
LGA    Y    44_A      Y    44_A     1.749     0    0.575   0.560     3.942   63.452   68.532
LGA    G    45_A      G    45_A     1.653     0    0.175   0.175     2.218   70.952   70.952
LGA    D    46_A      D    46_A     2.304     0    0.120   0.308     2.363   64.762   64.762
LGA    N    47_A      N    47_A     2.367     0    0.191   0.966     3.494   62.857   61.964
LGA    V    48_A      V    48_A     1.699     0    0.053   0.284     1.895   77.143   77.755
LGA    Q    49_A      Q    49_A     1.460     0    0.031   1.621     4.914   79.286   64.021
LGA    I    50_A      I    50_A     1.410     0    0.153   1.057     2.783   81.429   73.274
LGA    D    51_A      D    51_A     1.132     0    0.100   1.201     3.605   83.690   70.714
LGA    G    52_A      G    52_A     0.765     0    0.044   0.044     0.947   95.238   95.238
LGA    F    53_A      F    53_A     0.182     0    0.055   0.124     1.261  100.000   93.203
LGA    D    54_A      D    54_A     0.252     0    0.113   0.811     2.795  100.000   85.893
LGA    I    55_A      I    55_A     0.517     0    0.055   1.035     2.861   90.476   79.881
LGA    D    56_A      D    56_A     1.313     0    0.094   0.434     2.885   90.595   74.821
LGA    Y    57_A      Y    57_A     0.554     0    0.070   0.112     3.528   92.857   73.175
LGA    G    58_A      G    58_A     1.171     0    0.220   0.220     3.687   70.000   70.000
LGA    N    59_A      N    59_A     2.694     0    0.321   0.656     5.059   64.881   50.417
LGA    E    60_A      E    60_A     2.175     0    0.032   1.043     2.926   70.952   69.418
LGA    V    61_A      V    61_A     0.988     0    0.051   1.178     2.682   88.214   78.367
LGA    L    62_A      L    62_A     0.643     0    0.025   0.060     0.780   90.476   91.667
LGA    T    63_A      T    63_A     0.599     0    0.038   1.156     2.729   97.619   86.122
LGA    L    64_A      L    64_A     0.409     0    0.023   0.192     0.621   92.857   95.238
LGA    K    65_A      K    65_A     0.613     0    0.032   0.782     2.907   92.857   81.058
LGA    L    66_A      L    66_A     0.833     0    0.384   0.323     2.181   81.786   85.000
LGA    G    67_A      G    67_A     1.145     0    0.398   0.398     4.072   66.190   66.190
LGA    S    68_A      S    68_A     1.390     0    0.094   0.641     4.006   79.286   71.190
LGA    L    69_A      L    69_A     1.288     0    0.079   0.266     1.444   83.690   83.690
LGA    G    70_A      G    70_A     0.865     0    0.061   0.061     1.071   85.952   85.952
LGA    T    71_A      T    71_A     0.915     0    0.101   1.107     2.490   88.214   80.544
LGA    Y    72_A      Y    72_A     0.713     0    0.047   0.174     0.995   90.476   90.476
LGA    V    73_A      V    73_A     0.738     0    0.031   0.077     0.914   90.476   90.476
LGA    L    74_A      L    74_A     0.970     0    0.062   0.148     1.365   85.952   84.821
LGA    N    75_A      N    75_A     0.914     0    0.031   0.571     1.562   90.476   87.143
LGA    K    76_A      K    76_A     0.850     0    0.057   0.603     1.244   90.476   88.466
LGA    Q    77_A      Q    77_A     0.839     0    0.030   1.125     2.580   90.476   82.910
LGA    T    78_A      T    78_A     0.803     0    0.016   0.068     0.950   90.476   90.476
LGA    P    79_A      P    79_A     0.851     0    0.049   0.253     1.154   90.476   86.599
LGA    N    80_A      N    80_A     0.693     0    0.134   0.697     1.966   90.476   84.940
LGA    R    81_A      R    81_A     0.559     0    0.038   1.291     5.992   95.238   68.701
LGA    Q    82_A      Q    82_A     0.331     0    0.077   0.607     1.421  100.000   95.873
LGA    I    83_A      I    83_A     0.231     0    0.034   1.046     2.246  100.000   86.786
LGA    W    84_A      W    84_A     0.333     0    0.039   0.222     1.392  100.000   93.980
LGA    M    85_A      M    85_A     0.412     0    0.066   1.065     2.096  100.000   87.798
LGA    S    86_A      S    86_A     0.518     0    0.034   0.633     2.095   90.476   86.190
LGA    S    87_A      S    87_A     0.408     0    0.034   0.511     1.581   97.619   92.302
LGA    P    88_A      P    88_A     0.133     0    0.150   0.145     1.195   92.976   93.265
LGA    V    89_A      V    89_A     1.077     0    0.037   1.143     2.674   85.952   76.939
LGA    S    90_A      S    90_A     0.179     0    0.156   0.640     1.785   97.619   93.889
LGA    G    91_A      G    91_A     0.130     0    0.118   0.118     0.474  100.000  100.000
LGA    P    92_A      P    92_A     0.411     0    0.026   0.147     1.319   97.619   91.973
LGA    S    93_A      S    93_A     0.195     0    0.040   0.184     0.556  100.000   98.413
LGA    R    94_A      R    94_A     0.461     0    0.040   0.613     2.242   97.619   93.333
LGA    F    95_A      F    95_A     0.517     0    0.027   0.092     0.556   92.857   97.403
LGA    D    96_A      D    96_A     0.907     0    0.038   0.236     1.067   90.476   89.345
LGA    W    97_A      W    97_A     1.018     0    0.040   0.239     2.597   85.952   73.231
LGA    D    98_A      D    98_A     0.982     0    0.631   1.050     3.716   74.286   79.167
LGA    R    99_A      R    99_A     1.271     0    0.650   1.409    11.508   56.905   33.810
LGA    D   100_A      D   100_A     7.800     0    0.169   0.905    10.611    9.048    6.012
LGA    A   101_A      A   101_A     9.158     0    0.513   0.475    11.053    8.214    6.571
LGA    N   102_A      N   102_A     2.402     0    0.567   0.864     4.742   54.524   54.167
LGA    A   103_A      A   103_A     0.866     0    0.038   0.061     1.210   88.214   88.667
LGA    W   104_A      W   104_A     0.389     0    0.051   0.230     1.316  100.000   91.293
LGA    I   105_A      I   105_A     0.404     0    0.068   1.156     2.596  100.000   84.643
LGA    Y   106_A      Y   106_A     0.150     0    0.115   0.435     1.925   97.619   89.206
LGA    R   107_A      R   107_A     0.276     0    0.125   1.312     6.101   97.619   76.104
LGA    R   108_A      R   108_A     0.694     0    0.120   1.513     7.627   90.595   61.645
LGA    T   109_A      T   109_A     0.229     0    0.674   0.871     2.946   86.905   80.272
LGA    E   110_A      E   110_A     0.127     0    0.306   0.835     2.087   95.238   86.772
LGA    A   111_A      A   111_A     0.203     0    0.100   0.094     0.351  100.000  100.000
LGA    K   112_A      K   112_A     0.651     0    0.078   1.268     3.396   92.857   75.185
LGA    L   113_A      L   113_A     0.731     0    0.032   0.095     1.307   90.476   88.214
LGA    H   114_A      H   114_A     0.591     0    0.043   1.470     5.790   90.476   64.048
LGA    K   115_A      K   115_A     1.033     0    0.062   0.967     4.980   88.214   67.672
LGA    L   116_A      L   116_A     0.827     0    0.041   0.180     1.799   90.476   84.881
LGA    L   117_A      L   117_A     0.330     0    0.060   0.284     0.798   95.238   94.048
LGA    E   118_A      E   118_A     0.594     0    0.024   0.748     3.022   90.476   77.407
LGA    E   119_A      E   119_A     0.545     0    0.028   0.904     3.425   95.238   80.741
LGA    E   120_A      E   120_A     0.325     0    0.045   0.283     1.237  100.000   95.820
LGA    L   121_A      L   121_A     0.423     0    0.032   1.011     2.856   95.238   88.869
LGA    E   122_A      E   122_A     0.508     0    0.029   0.449     2.095   95.238   91.852
LGA    N   123_A      N   123_A     0.361     0    0.072   0.874     3.437   97.619   82.798
LGA    L   124_A      L   124_A     0.414     0    0.023   0.899     2.473   95.238   88.810
LGA    C   125_A      C   125_A     0.876     0    0.136   0.157     1.736   90.476   84.603
LGA    G   126_A      G   126_A     0.637     0    0.094   0.094     0.648   90.476   90.476
LGA    E   127_A      E   127_A     0.793     0    0.034   0.928     3.547   85.952   75.873
LGA    P   128_A      P   128_A     1.586     0    0.149   0.251     1.747   75.000   79.048
LGA    I   129_A      I   129_A     1.759     0    0.057   1.008     3.324   72.857   68.214
LGA    Q   130_A      Q   130_A     2.003     0    0.033   0.520     2.291   68.810   69.312
LGA    L   131_A      L   131_A     1.641     0    0.118   1.178     4.225   75.000   70.536
LGA    S   132_A      S   132_A     1.347     0    0.289   0.256     2.141   75.119   74.444

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     6.670          6.627                  6.376           79.228   72.604

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    110    1.08    83.943    85.922     9.354

LGA_LOCAL      RMSD:   1.076  Number of atoms:  110  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.631  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   6.670  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.550080 * X  +   0.185015 * Y  +  -0.814360 * Z  +   3.026292
  Y_new =   0.193852 * X  +   0.920226 * Y  +   0.340009 * Z  + -56.840809
  Z_new =   0.812302 * X  +  -0.344897 * Y  +   0.470332 * Z  +   2.000101 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.338818 -0.948088 -0.632731   [DEG:   19.4128  -54.3214  -36.2528 ]
ZXZ: -1.966311  1.081130  1.972322   [DEG: -112.6613   61.9442  113.0057 ]
 
# END of job
