
#######################################################
#                                                     #
#                        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       4.48     6.91
  LCS_AVERAGE:     94.08

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113      20_A - 132_A       1.70     7.56
  LCS_AVERAGE:     84.86

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      22_A - 99_A        0.93     7.72
  LCS_AVERAGE:     46.96

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      3    7   13      0    3    3    5    6    8    9   10   12   13   13   16   18   21   24   25   31   37   38   41 
LCS_GDT     S    11_A     S    11_A      5    7   13      3    5    6    6    6    8    9    9   12   13   13   14   16   21   24   25   31   32   36   41 
LCS_GDT     S    12_A     S    12_A      5    7   16      3    5    6    6    6    8    9   10   12   13   13   15   18   21   24   34   35   37   38   41 
LCS_GDT     G    13_A     G    13_A      5    7   31      3    5    6    6    6    8    9   16   21   24   26   28   29   30   33   35   43   47   54   59 
LCS_GDT     L    14_A     L    14_A      5    7  119      3    5    6    6    6    9   13   17   21   24   26   28   29   30   33   35   43   47   54   66 
LCS_GDT     V    15_A     V    15_A      5    7  119      3    5    6    6    6    8    9   13   21   23   25   28   29   30   33   35   43   48   55   60 
LCS_GDT     P    16_A     P    16_A      3    7  119      3    3    6    6    6    9   13   17   21   24   26   34   46   58   79   98  105  113  117  117 
LCS_GDT     R    17_A     R    17_A      4    7  119      3    3    4    4    5    8    9   16   21   39   52   70   84   98  111  116  116  116  117  117 
LCS_GDT     G    18_A     G    18_A      4    6  119      3    3    4    4    5    6    9   11   20   23   51   71   87  106  111  116  116  116  117  117 
LCS_GDT     S    19_A     S    19_A      4    7  119      3    3    4    5    7    9   12   14   18   45   69   90  109  114  114  116  116  116  117  117 
LCS_GDT     H    20_A     H    20_A      4  113  119      4    4    4    6   10   26   49   85  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     M    21_A     M    21_A      4  113  119      4    4    4    8   14   84  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     Q    22_A     Q    22_A     78  113  119      4   64   90  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E    23_A     E    23_A     78  113  119     45   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E    24_A     E    24_A     78  113  119     32   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E    25_A     E    25_A     78  113  119     43   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     F    26_A     F    26_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     H    27_A     H    27_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     K    28_A     K    28_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L    29_A     L    29_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     A    30_A     A    30_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     N    31_A     N    31_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     F    32_A     F    32_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     T    33_A     T    33_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     I    34_A     I    34_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     N    35_A     N    35_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     H    36_A     H    36_A     78  113  119     47   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L    37_A     L    37_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L    38_A     L    38_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E    39_A     E    39_A     78  113  119     45   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     K    40_A     K    40_A     78  113  119     26   82   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     I    41_A     I    41_A     78  113  119     24   72   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E    42_A     E    42_A     78  113  119     24   76   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     D    43_A     D    43_A     78  113  119     13   76   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     Y    44_A     Y    44_A     78  113  119     13   64   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     G    45_A     G    45_A     78  113  119     23   68   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     D    46_A     D    46_A     78  113  119     10   65   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     N    47_A     N    47_A     78  113  119     10   51   96  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     V    48_A     V    48_A     78  113  119     14   77   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     Q    49_A     Q    49_A     78  113  119      3   12   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     I    50_A     I    50_A     78  113  119      8   60   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     D    51_A     D    51_A     78  113  119     18   80   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     G    52_A     G    52_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     F    53_A     F    53_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     D    54_A     D    54_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     I    55_A     I    55_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     D    56_A     D    56_A     78  113  119     26   78   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     Y    57_A     Y    57_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     G    58_A     G    58_A     78  113  119     11   80   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     N    59_A     N    59_A     78  113  119      5   23   65   99  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E    60_A     E    60_A     78  113  119      5   40   91  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     V    61_A     V    61_A     78  113  119     29   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L    62_A     L    62_A     78  113  119     48   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     T    63_A     T    63_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L    64_A     L    64_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     K    65_A     K    65_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L    66_A     L    66_A     78  113  119     30   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     G    67_A     G    67_A     78  113  119     28   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     S    68_A     S    68_A     78  113  119     18   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L    69_A     L    69_A     78  113  119     18   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     G    70_A     G    70_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     T    71_A     T    71_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     Y    72_A     Y    72_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     V    73_A     V    73_A     78  113  119     44   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L    74_A     L    74_A     78  113  119     27   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     N    75_A     N    75_A     78  113  119     27   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     K    76_A     K    76_A     78  113  119     29   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     Q    77_A     Q    77_A     78  113  119     43   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     T    78_A     T    78_A     78  113  119     43   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     P    79_A     P    79_A     78  113  119     28   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     N    80_A     N    80_A     78  113  119     42   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     R    81_A     R    81_A     78  113  119     45   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     Q    82_A     Q    82_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     I    83_A     I    83_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     W    84_A     W    84_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     M    85_A     M    85_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     S    86_A     S    86_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     S    87_A     S    87_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     P    88_A     P    88_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     V    89_A     V    89_A     78  113  119     15   82   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     S    90_A     S    90_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     G    91_A     G    91_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     P    92_A     P    92_A     78  113  119     49   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     S    93_A     S    93_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     R    94_A     R    94_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     F    95_A     F    95_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     D    96_A     D    96_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     W    97_A     W    97_A     78  113  119     41   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     D    98_A     D    98_A     78  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     R    99_A     R    99_A     78  113  119     12   72   96  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     D   100_A     D   100_A      4  113  119      3    4    5    7   14   66   81   95  109  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     A   101_A     A   101_A      4  113  119      3    4    5    7    9   12   23   28  103  109  111  113  113  114  114  116  116  116  117  117 
LCS_GDT     N   102_A     N   102_A     31  113  119     10   55   96  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     A   103_A     A   103_A     31  113  119     36   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     W   104_A     W   104_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     I   105_A     I   105_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     Y   106_A     Y   106_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     R   107_A     R   107_A     31  113  119     48   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     R   108_A     R   108_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     T   109_A     T   109_A     31  113  119     43   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E   110_A     E   110_A     31  113  119     48   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     A   111_A     A   111_A     31  113  119     49   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     K   112_A     K   112_A     31  113  119     46   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L   113_A     L   113_A     31  113  119     33   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     H   114_A     H   114_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     K   115_A     K   115_A     31  113  119     18   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L   116_A     L   116_A     31  113  119     30   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L   117_A     L   117_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E   118_A     E   118_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E   119_A     E   119_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E   120_A     E   120_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L   121_A     L   121_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E   122_A     E   122_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     N   123_A     N   123_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L   124_A     L   124_A     31  113  119     50   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     C   125_A     C   125_A     31  113  119     40   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     G   126_A     G   126_A     31  113  119     45   83   97  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     E   127_A     E   127_A     31  113  119     29   83   96  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     P   128_A     P   128_A     31  113  119      4   68   93  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     I   129_A     I   129_A     31  113  119     17   71   93  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     Q   130_A     Q   130_A     31  113  119      4   51   93  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     L   131_A     L   131_A     31  113  119     17   80   96  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_GDT     S   132_A     S   132_A     31  113  119      4   75   96  104  109  109  110  110  110  111  112  113  113  114  114  116  116  116  117  117 
LCS_AVERAGE  LCS_A:  75.30  (  46.96   84.86   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     50     83     97    104    109    109    110    110    110    111    112    113    113    114    114    116    116    116    117    117 
GDT PERCENT_AT  40.65  67.48  78.86  84.55  88.62  88.62  89.43  89.43  89.43  90.24  91.06  91.87  91.87  92.68  92.68  94.31  94.31  94.31  95.12  95.12
GDT RMS_LOCAL    0.35   0.55   0.74   0.85   0.96   0.96   1.05   1.05   1.05   1.28   1.51   1.70   1.70   2.11   2.11   2.92   2.92   2.92   3.36   3.36
GDT RMS_ALL_AT   7.76   7.67   7.73   7.68   7.69   7.69   7.67   7.67   7.67   7.65   7.58   7.56   7.56   7.47   7.47   7.24   7.24   7.24   7.13   7.13

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  F    32_A      F    32_A
#   possible swapping detected:  F    53_A      F    53_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   110_A      E   110_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   122_A      E   122_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    33.857     0    0.666   1.267    36.189    0.000    0.000
LGA    S    11_A      S    11_A    35.540     0    0.648   0.796    38.940    0.000    0.000
LGA    S    12_A      S    12_A    32.183     0    0.150   0.231    33.756    0.000    0.000
LGA    G    13_A      G    13_A    28.867     0    0.304   0.304    29.513    0.000    0.000
LGA    L    14_A      L    14_A    26.954     3    0.248   0.293    27.664    0.000    0.000
LGA    V    15_A      V    15_A    25.595     0    0.217   1.237    28.360    0.000    0.000
LGA    P    16_A      P    16_A    20.840     0    0.646   0.731    24.170    0.000    0.000
LGA    R    17_A      R    17_A    17.314     6    0.598   0.574    18.430    0.000    0.000
LGA    G    18_A      G    18_A    17.044     0    0.685   0.685    17.744    0.000    0.000
LGA    S    19_A      S    19_A    14.278     0    0.319   0.640    17.649    0.000    0.000
LGA    H    20_A      H    20_A     8.917     5    0.308   0.360    10.590    8.333    3.619
LGA    M    21_A      M    21_A     4.507     0    0.158   1.071     8.179   30.833   23.750
LGA    Q    22_A      Q    22_A     2.054     0    0.142   1.046     3.927   79.762   63.280
LGA    E    23_A      E    23_A     0.542     0    0.094   0.933     3.840   92.976   77.937
LGA    E    24_A      E    24_A     0.914     4    0.042   0.060     1.390   90.476   49.259
LGA    E    25_A      E    25_A     0.614     0    0.065   0.394     1.090   95.238   91.587
LGA    F    26_A      F    26_A     0.107     0    0.081   0.119     0.285  100.000  100.000
LGA    H    27_A      H    27_A     0.399     0    0.038   0.182     0.619   97.619   98.095
LGA    K    28_A      K    28_A     0.328     0    0.026   1.217     5.480  100.000   80.265
LGA    L    29_A      L    29_A     0.078     0    0.034   1.074     2.582  100.000   90.238
LGA    A    30_A      A    30_A     0.159     0    0.033   0.037     0.204  100.000  100.000
LGA    N    31_A      N    31_A     0.201     0    0.052   0.872     3.150  100.000   83.095
LGA    F    32_A      F    32_A     0.184     0    0.041   0.967     4.915  100.000   72.857
LGA    T    33_A      T    33_A     0.243     0    0.057   0.064     0.646  100.000   97.279
LGA    I    34_A      I    34_A     0.170     0    0.038   0.631     1.888  100.000   95.417
LGA    N    35_A      N    35_A     0.509     0    0.031   0.837     3.785   92.857   77.500
LGA    H    36_A      H    36_A     0.666     0    0.035   1.199     6.136   90.476   64.667
LGA    L    37_A      L    37_A     0.466     0    0.042   0.162     0.819   95.238   92.857
LGA    L    38_A      L    38_A     0.616     0    0.051   0.984     3.917   90.476   81.429
LGA    E    39_A      E    39_A     0.721     0    0.043   0.606     1.599   90.476   88.571
LGA    K    40_A      K    40_A     1.006     0    0.061   1.029     6.524   83.690   59.471
LGA    I    41_A      I    41_A     1.460     0    0.096   0.645     2.167   81.429   77.202
LGA    E    42_A      E    42_A     1.381     0    0.027   0.656     3.330   81.429   72.434
LGA    D    43_A      D    43_A     1.384     0    0.042   0.053     1.579   77.143   79.286
LGA    Y    44_A      Y    44_A     1.758     0    0.557   0.410     3.983   63.452   62.698
LGA    G    45_A      G    45_A     1.544     0    0.169   0.169     1.924   75.000   75.000
LGA    D    46_A      D    46_A     1.986     0    0.128   0.139     2.042   68.810   70.833
LGA    N    47_A      N    47_A     2.183     0    0.147   1.088     4.231   62.857   59.405
LGA    V    48_A      V    48_A     1.581     0    0.047   1.232     3.593   79.405   71.224
LGA    Q    49_A      Q    49_A     1.545     0    0.067   1.209     5.682   72.857   60.212
LGA    I    50_A      I    50_A     1.717     0    0.090   0.976     4.279   72.857   71.667
LGA    D    51_A      D    51_A     1.151     0    0.165   1.222     3.901   79.286   69.583
LGA    G    52_A      G    52_A     0.334     0    0.037   0.037     0.553   97.619   97.619
LGA    F    53_A      F    53_A     0.232     0    0.031   0.416     2.063  100.000   88.442
LGA    D    54_A      D    54_A     0.433     0    0.071   0.308     0.903  100.000   95.238
LGA    I    55_A      I    55_A     0.517     0    0.045   0.670     2.947   88.214   84.048
LGA    D    56_A      D    56_A     1.223     0    0.072   0.489     2.528   90.595   77.738
LGA    Y    57_A      Y    57_A     0.386     0    0.045   0.140     2.155   95.238   84.722
LGA    G    58_A      G    58_A     1.109     0    0.225   0.225     3.545   70.000   70.000
LGA    N    59_A      N    59_A     2.737     0    0.310   1.124     6.635   64.881   48.869
LGA    E    60_A      E    60_A     2.185     0    0.027   0.584     2.533   68.810   66.614
LGA    V    61_A      V    61_A     0.949     0    0.063   1.152     3.008   88.214   79.728
LGA    L    62_A      L    62_A     0.486     0    0.030   0.106     0.759   95.238   95.238
LGA    T    63_A      T    63_A     0.434     0    0.042   1.138     2.723  100.000   87.483
LGA    L    64_A      L    64_A     0.332     0    0.033   0.124     0.507  100.000   98.810
LGA    K    65_A      K    65_A     0.489     0    0.036   1.432     4.277  100.000   80.423
LGA    L    66_A      L    66_A     0.703     0    0.383   0.344     2.125   84.048   86.250
LGA    G    67_A      G    67_A     0.948     0    0.394   0.394     3.646   72.024   72.024
LGA    S    68_A      S    68_A     1.171     0    0.125   0.714     3.411   81.429   74.762
LGA    L    69_A      L    69_A     1.077     0    0.108   0.125     1.782   85.952   80.476
LGA    G    70_A      G    70_A     0.366     0    0.062   0.062     0.677   97.619   97.619
LGA    T    71_A      T    71_A     0.363     0    0.062   1.061     2.425   97.619   87.211
LGA    Y    72_A      Y    72_A     0.502     0    0.047   0.080     0.811   92.857   92.857
LGA    V    73_A      V    73_A     0.618     0    0.034   0.055     0.848   90.476   90.476
LGA    L    74_A      L    74_A     0.916     0    0.068   0.192     1.319   85.952   87.083
LGA    N    75_A      N    75_A     0.816     0    0.028   1.065     2.449   90.476   85.060
LGA    K    76_A      K    76_A     0.788     0    0.078   0.344     1.458   90.476   88.466
LGA    Q    77_A      Q    77_A     0.726     0    0.041   0.989     2.426   90.476   85.661
LGA    T    78_A      T    78_A     0.803     0    0.028   0.064     0.837   90.476   90.476
LGA    P    79_A      P    79_A     0.916     0    0.042   0.262     1.145   90.476   86.599
LGA    N    80_A      N    80_A     0.718     0    0.144   0.896     2.837   90.476   82.917
LGA    R    81_A      R    81_A     0.577     0    0.041   1.398     8.811   95.238   59.307
LGA    Q    82_A      Q    82_A     0.291     0    0.084   0.464     1.451  100.000   95.873
LGA    I    83_A      I    83_A     0.276     0    0.041   1.113     2.584  100.000   84.881
LGA    W    84_A      W    84_A     0.350     0    0.046   0.125     0.808   97.619   96.599
LGA    M    85_A      M    85_A     0.427     0    0.055   0.500     2.151  100.000   95.595
LGA    S    86_A      S    86_A     0.490     0    0.037   0.603     2.403   92.857   87.778
LGA    S    87_A      S    87_A     0.445     0    0.042   0.058     0.649   97.619   95.238
LGA    P    88_A      P    88_A     0.279     0    0.146   0.393     1.361   92.976   94.626
LGA    V    89_A      V    89_A     1.132     0    0.020   1.152     3.146   85.952   77.075
LGA    S    90_A      S    90_A     0.327     0    0.176   0.614     1.404   97.619   93.730
LGA    G    91_A      G    91_A     0.266     0    0.140   0.140     0.600   97.619   97.619
LGA    P    92_A      P    92_A     0.466     0    0.020   0.250     1.719  100.000   90.816
LGA    S    93_A      S    93_A     0.209     0    0.036   0.662     2.568  100.000   92.857
LGA    R    94_A      R    94_A     0.409     0    0.039   0.267     1.631  100.000   92.424
LGA    F    95_A      F    95_A     0.443     0    0.036   0.109     0.531   95.238   98.268
LGA    D    96_A      D    96_A     0.741     0    0.032   0.188     0.838   90.476   91.667
LGA    W    97_A      W    97_A     0.804     0    0.057   0.241     2.369   90.476   79.252
LGA    D    98_A      D    98_A     0.576     0    0.603   1.179     3.997   74.286   67.262
LGA    R    99_A      R    99_A     1.772     0    0.542   1.145    10.067   53.214   36.364
LGA    D   100_A      D   100_A     7.802     0    0.152   1.065    10.589    9.048    6.012
LGA    A   101_A      A   101_A     8.880     0    0.523   0.484    10.747    9.524    7.619
LGA    N   102_A      N   102_A     2.261     0    0.575   1.064     4.496   55.952   50.476
LGA    A   103_A      A   103_A     0.914     0    0.022   0.045     1.169   88.214   88.667
LGA    W   104_A      W   104_A     0.456     0    0.032   0.145     1.164   97.619   89.932
LGA    I   105_A      I   105_A     0.294     0    0.087   1.175     2.580  100.000   84.643
LGA    Y   106_A      Y   106_A     0.271     0    0.126   0.302     1.837   97.619   88.492
LGA    R   107_A      R   107_A     0.605     0    0.138   1.365    10.111   97.619   55.368
LGA    R   108_A      R   108_A     0.583     0    0.129   1.225     7.466   90.595   59.524
LGA    T   109_A      T   109_A     0.652     0    0.691   0.642     2.732   84.524   81.973
LGA    E   110_A      E   110_A     0.565     0    0.334   0.906     3.924   90.595   69.312
LGA    A   111_A      A   111_A     0.423     0    0.089   0.085     0.593   97.619   98.095
LGA    K   112_A      K   112_A     0.542     0    0.086   0.920     3.085   92.857   82.116
LGA    L   113_A      L   113_A     0.630     0    0.039   0.134     1.399   90.476   88.214
LGA    H   114_A      H   114_A     0.566     0    0.028   1.402     5.566   90.476   64.667
LGA    K   115_A      K   115_A     0.977     0    0.063   0.993     3.950   90.476   70.794
LGA    L   116_A      L   116_A     0.813     0    0.048   0.935     3.574   92.857   78.452
LGA    L   117_A      L   117_A     0.206     0    0.050   0.184     0.883  100.000   97.619
LGA    E   118_A      E   118_A     0.432     0    0.032   0.572     2.127  100.000   88.889
LGA    E   119_A      E   119_A     0.444     0    0.051   1.062     3.084  100.000   86.243
LGA    E   120_A      E   120_A     0.271     0    0.030   0.084     0.372  100.000  100.000
LGA    L   121_A      L   121_A     0.214     0    0.055   0.111     0.524  100.000   98.810
LGA    E   122_A      E   122_A     0.425     0    0.030   0.904     3.896  100.000   76.772
LGA    N   123_A      N   123_A     0.219     0    0.060   1.197     4.702   97.619   80.476
LGA    L   124_A      L   124_A     0.269     0    0.023   0.087     0.601   97.619   98.810
LGA    C   125_A      C   125_A     0.750     0    0.146   0.820     3.789   95.238   82.857
LGA    G   126_A      G   126_A     0.643     0    0.095   0.095     0.970   92.857   92.857
LGA    E   127_A      E   127_A     1.203     0    0.070   0.759     2.285   81.548   81.640
LGA    P   128_A      P   128_A     1.703     0    0.123   0.182     1.909   75.000   74.082
LGA    I   129_A      I   129_A     1.780     0    0.033   1.123     3.984   72.857   66.548
LGA    Q   130_A      Q   130_A     2.065     0    0.050   1.146     6.244   68.810   55.185
LGA    L   131_A      L   131_A     1.422     0    0.093   0.268     1.787   79.286   80.417
LGA    S   132_A      S   132_A     1.458     0    0.522   0.852     2.988   72.976   71.746

# 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):     6.714          6.664                  6.488           79.786   72.587

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    110    1.05    83.943    85.955     9.542

LGA_LOCAL      RMSD:   1.053  Number of atoms:  110  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.667  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   6.714  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.573943 * X  +   0.140015 * Y  +  -0.806837 * Z  +   3.497900
  Y_new =   0.234491 * X  +   0.915916 * Y  +   0.325748 * Z  + -56.613922
  Z_new =   0.784604 * X  +  -0.376156 * Y  +   0.492851 * Z  +   2.316941 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.387865 -0.902058 -0.651912   [DEG:   22.2230  -51.6841  -37.3518 ]
ZXZ: -1.954518  1.055433  2.017846   [DEG: -111.9857   60.4719  115.6141 ]
 
# END of job
