
#######################################################
#                                                     #
#                        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:   123      10_A - 132_A       3.23     3.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      15_A - 132_A       1.69     3.40
  LCS_AVERAGE:     92.23

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      19_A - 132_A       0.66     3.54
  LCS_AVERAGE:     86.12

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    4  123      3    3    3    3    5    7    9   10   12   13   14   19   29   40   47   52   63   80   89   97 
LCS_GDT     S    11_A     S    11_A      3    5  123      3    3    3    6   16   21   27   39   45   52   67   76   88  102  111  117  121  122  122  122 
LCS_GDT     S    12_A     S    12_A      3    7  123      3    3    4    5   10   20   27   34   45   52   67   76   88  102  112  117  121  122  122  122 
LCS_GDT     G    13_A     G    13_A      4    7  123      3    3    4    5   16   21   27   39   47   62   71   86  103  113  118  119  121  122  122  122 
LCS_GDT     L    14_A     L    14_A      4    7  123      3    4    4    5    6    7    9   11   18   58   75  106  108  114  118  119  121  122  122  122 
LCS_GDT     V    15_A     V    15_A      4  118  123      3    4   24   30   49   75   86  107  112  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     P    16_A     P    16_A      4  118  123      3    4    4    5   12   41   54   67   92  111  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     R    17_A     R    17_A      4  118  123      3    4    4    5   12   25   48   61   78  101  112  117  117  117  118  119  121  122  122  122 
LCS_GDT     G    18_A     G    18_A      4  118  123      3    4    4    5    6    7    9   11   12   16   33   64   97  117  118  119  121  122  122  122 
LCS_GDT     S    19_A     S    19_A    114  118  123      3    4    4    5   85  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     H    20_A     H    20_A    114  118  123      6   38  100  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     M    21_A     M    21_A    114  118  123     24  108  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     Q    22_A     Q    22_A    114  118  123     39  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E    23_A     E    23_A    114  118  123     78  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E    24_A     E    24_A    114  118  123     39  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E    25_A     E    25_A    114  118  123     79  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     F    26_A     F    26_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     H    27_A     H    27_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     K    28_A     K    28_A    114  118  123     40  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L    29_A     L    29_A    114  118  123     47  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     A    30_A     A    30_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     N    31_A     N    31_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     F    32_A     F    32_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     T    33_A     T    33_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     I    34_A     I    34_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     N    35_A     N    35_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     H    36_A     H    36_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L    37_A     L    37_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L    38_A     L    38_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E    39_A     E    39_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     K    40_A     K    40_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     I    41_A     I    41_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E    42_A     E    42_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     D    43_A     D    43_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     Y    44_A     Y    44_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     G    45_A     G    45_A    114  118  123     79  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     D    46_A     D    46_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     N    47_A     N    47_A    114  118  123     34  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     V    48_A     V    48_A    114  118  123     13  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     Q    49_A     Q    49_A    114  118  123     36  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     I    50_A     I    50_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     D    51_A     D    51_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     G    52_A     G    52_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     F    53_A     F    53_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     D    54_A     D    54_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     I    55_A     I    55_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     D    56_A     D    56_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     Y    57_A     Y    57_A    114  118  123     47  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     G    58_A     G    58_A    114  118  123     76  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     N    59_A     N    59_A    114  118  123     45  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E    60_A     E    60_A    114  118  123     45  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     V    61_A     V    61_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L    62_A     L    62_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     T    63_A     T    63_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L    64_A     L    64_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     K    65_A     K    65_A    114  118  123     78  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L    66_A     L    66_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     G    67_A     G    67_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     S    68_A     S    68_A    114  118  123     53  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L    69_A     L    69_A    114  118  123     50  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     G    70_A     G    70_A    114  118  123     66  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     T    71_A     T    71_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     Y    72_A     Y    72_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     V    73_A     V    73_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L    74_A     L    74_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     N    75_A     N    75_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     K    76_A     K    76_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     Q    77_A     Q    77_A    114  118  123     58  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     T    78_A     T    78_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     P    79_A     P    79_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     N    80_A     N    80_A    114  118  123     79  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     R    81_A     R    81_A    114  118  123     79  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     Q    82_A     Q    82_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     I    83_A     I    83_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     W    84_A     W    84_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     M    85_A     M    85_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     S    86_A     S    86_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     S    87_A     S    87_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     P    88_A     P    88_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     V    89_A     V    89_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     S    90_A     S    90_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     G    91_A     G    91_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     P    92_A     P    92_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     S    93_A     S    93_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     R    94_A     R    94_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     F    95_A     F    95_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     D    96_A     D    96_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     W    97_A     W    97_A    114  118  123     78  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     D    98_A     D    98_A    114  118  123     79  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     R    99_A     R    99_A    114  118  123     12  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     D   100_A     D   100_A    114  118  123     40  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     A   101_A     A   101_A    114  118  123     40  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     N   102_A     N   102_A    114  118  123     78  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     A   103_A     A   103_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     W   104_A     W   104_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     I   105_A     I   105_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     Y   106_A     Y   106_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     R   107_A     R   107_A    114  118  123     54  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     R   108_A     R   108_A    114  118  123     38  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     T   109_A     T   109_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E   110_A     E   110_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     A   111_A     A   111_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     K   112_A     K   112_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L   113_A     L   113_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     H   114_A     H   114_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     K   115_A     K   115_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L   116_A     L   116_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L   117_A     L   117_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E   118_A     E   118_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E   119_A     E   119_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E   120_A     E   120_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L   121_A     L   121_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E   122_A     E   122_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     N   123_A     N   123_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L   124_A     L   124_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     C   125_A     C   125_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     G   126_A     G   126_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     E   127_A     E   127_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     P   128_A     P   128_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     I   129_A     I   129_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     Q   130_A     Q   130_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     L   131_A     L   131_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_GDT     S   132_A     S   132_A    114  118  123     82  109  112  113  113  113  114  114  114  114  116  117  117  117  118  119  121  122  122  122 
LCS_AVERAGE  LCS_A:  92.78  (  86.12   92.23  100.00 )

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     82    109    112    113    113    113    114    114    114    114    116    117    117    117    118    119    121    122    122    122 
GDT PERCENT_AT  66.67  88.62  91.06  91.87  91.87  91.87  92.68  92.68  92.68  92.68  94.31  95.12  95.12  95.12  95.93  96.75  98.37  99.19  99.19  99.19
GDT RMS_LOCAL    0.35   0.46   0.50   0.58   0.58   0.58   0.66   0.66   0.66   0.66   1.26   1.48   1.48   1.48   1.69   2.14   2.57   2.83   2.83   2.83
GDT RMS_ALL_AT   3.58   3.57   3.55   3.53   3.53   3.53   3.54   3.54   3.54   3.54   3.44   3.41   3.41   3.41   3.40   3.30   3.26   3.24   3.24   3.24

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    42_A      E    42_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  Y    57_A      Y    57_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  Y    72_A      Y    72_A
#   possible swapping detected:  Y   106_A      Y   106_A
#   possible swapping detected:  E   110_A      E   110_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   120_A      E   120_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    19.367     0    0.412   0.977    26.886    0.000    0.000
LGA    S    11_A      S    11_A    15.443     0    0.568   0.606    16.147    0.000    0.000
LGA    S    12_A      S    12_A    15.064     0    0.167   0.621    15.308    0.000    0.000
LGA    G    13_A      G    13_A    12.913     0    0.488   0.488    13.608    0.000    0.000
LGA    L    14_A      L    14_A    13.163     3    0.058   0.063    15.106    0.000    0.000
LGA    V    15_A      V    15_A     8.519     0    0.050   0.196    10.763    3.690    2.993
LGA    P    16_A      P    16_A     8.354     0    0.050   0.387     9.120    5.357    4.966
LGA    R    17_A      R    17_A     8.915     6    0.635   0.613     9.609    1.905    0.952
LGA    G    18_A      G    18_A     9.382     0    0.168   0.168     9.382    6.071    6.071
LGA    S    19_A      S    19_A     3.455     0    0.529   0.490     4.951   54.762   58.413
LGA    H    20_A      H    20_A     3.054     5    0.535   0.490     5.568   59.167   25.810
LGA    M    21_A      M    21_A     1.510     0    0.038   0.160     1.906   77.143   81.548
LGA    Q    22_A      Q    22_A     1.116     0    0.057   0.971     3.731   85.952   73.704
LGA    E    23_A      E    23_A     0.409     0    0.067   0.093     1.280   97.619   90.635
LGA    E    24_A      E    24_A     0.594     4    0.027   0.025     0.809   92.857   51.323
LGA    E    25_A      E    25_A     0.514     0    0.076   0.246     0.972   92.857   92.593
LGA    F    26_A      F    26_A     0.147     0    0.055   0.072     0.248  100.000  100.000
LGA    H    27_A      H    27_A     0.597     0    0.049   0.055     0.889   92.857   91.429
LGA    K    28_A      K    28_A     0.868     0    0.021   0.831     3.767   90.476   76.984
LGA    L    29_A      L    29_A     0.627     0    0.015   1.399     3.144   95.238   81.429
LGA    A    30_A      A    30_A     0.346     0    0.009   0.019     0.485  100.000  100.000
LGA    N    31_A      N    31_A     0.547     0    0.036   0.189     0.934   90.476   91.667
LGA    F    32_A      F    32_A     0.431     0    0.036   0.304     1.276  100.000   90.649
LGA    T    33_A      T    33_A     0.531     0    0.030   0.049     0.724   95.238   93.197
LGA    I    34_A      I    34_A     0.526     0    0.031   0.607     2.261   92.857   88.452
LGA    N    35_A      N    35_A     0.496     0    0.019   0.898     4.058   97.619   80.000
LGA    H    36_A      H    36_A     0.384     0    0.014   0.075     0.774  100.000   97.143
LGA    L    37_A      L    37_A     0.405     0    0.022   0.078     0.492  100.000  100.000
LGA    L    38_A      L    38_A     0.250     0    0.112   0.121     0.543   97.619   98.810
LGA    E    39_A      E    39_A     0.295     0    0.050   0.383     2.064  100.000   91.905
LGA    K    40_A      K    40_A     0.487     0    0.033   0.616     2.333   97.619   90.847
LGA    I    41_A      I    41_A     0.293     0    0.065   0.147     0.381  100.000  100.000
LGA    E    42_A      E    42_A     0.266     0    0.099   0.613     2.287  100.000   87.989
LGA    D    43_A      D    43_A     0.623     0    0.022   0.138     1.209   92.857   90.536
LGA    Y    44_A      Y    44_A     0.561     0    0.022   0.143     0.779   90.476   92.063
LGA    G    45_A      G    45_A     0.597     0    0.106   0.106     0.727   90.476   90.476
LGA    D    46_A      D    46_A     0.439     0    0.013   0.114     0.475  100.000  100.000
LGA    N    47_A      N    47_A     0.621     0    0.165   0.402     1.147   92.857   90.536
LGA    V    48_A      V    48_A     1.013     0    0.712   0.842     3.164   75.833   70.272
LGA    Q    49_A      Q    49_A     1.038     0    0.308   1.077     4.177   81.548   71.058
LGA    I    50_A      I    50_A     0.500     0    0.033   0.118     0.622   92.857   96.429
LGA    D    51_A      D    51_A     0.467     0    0.050   0.827     3.203   95.238   79.524
LGA    G    52_A      G    52_A     0.281     0    0.013   0.013     0.489  100.000  100.000
LGA    F    53_A      F    53_A     0.357     0    0.032   0.059     0.418  100.000  100.000
LGA    D    54_A      D    54_A     0.242     0    0.085   0.188     0.801   97.619   97.619
LGA    I    55_A      I    55_A     0.217     0    0.057   0.065     0.445  100.000  100.000
LGA    D    56_A      D    56_A     0.536     0    0.102   0.251     1.593   97.619   88.512
LGA    Y    57_A      Y    57_A     0.633     0    0.169   0.385     2.041   90.595   86.984
LGA    G    58_A      G    58_A     0.483     0    0.027   0.027     0.869   95.238   95.238
LGA    N    59_A      N    59_A     0.699     0    0.023   1.006     2.337   90.476   85.060
LGA    E    60_A      E    60_A     0.730     0    0.037   0.092     0.856   90.476   90.476
LGA    V    61_A      V    61_A     0.311     0    0.089   1.121     2.555   97.619   87.483
LGA    L    62_A      L    62_A     0.299     0    0.037   0.144     0.471  100.000  100.000
LGA    T    63_A      T    63_A     0.378     0    0.033   0.174     1.001  100.000   97.347
LGA    L    64_A      L    64_A     0.387     0    0.027   0.076     0.517  100.000   98.810
LGA    K    65_A      K    65_A     0.513     0    0.051   0.991     4.129   92.857   83.810
LGA    L    66_A      L    66_A     0.388     0    0.040   0.147     0.596  100.000   98.810
LGA    G    67_A      G    67_A     0.328     0    0.074   0.074     0.476  100.000  100.000
LGA    S    68_A      S    68_A     0.847     0    0.066   0.587     3.175   90.476   83.730
LGA    L    69_A      L    69_A     0.928     0    0.027   0.105     1.073   88.214   89.345
LGA    G    70_A      G    70_A     0.610     0    0.050   0.050     0.759   95.238   95.238
LGA    T    71_A      T    71_A     0.373     0    0.025   0.040     0.440  100.000  100.000
LGA    Y    72_A      Y    72_A     0.278     0    0.030   0.094     0.413  100.000  100.000
LGA    V    73_A      V    73_A     0.129     0    0.044   0.053     0.222  100.000  100.000
LGA    L    74_A      L    74_A     0.368     0    0.047   0.110     0.493  100.000  100.000
LGA    N    75_A      N    75_A     0.328     0    0.045   0.887     2.102  100.000   92.202
LGA    K    76_A      K    76_A     0.277     0    0.040   0.382     1.575  100.000   94.868
LGA    Q    77_A      Q    77_A     0.663     0    0.085   1.056     3.773   95.238   81.481
LGA    T    78_A      T    78_A     0.326     0    0.067   0.070     0.532   97.619   98.639
LGA    P    79_A      P    79_A     0.339     0    0.015   0.051     0.537  100.000   98.639
LGA    N    80_A      N    80_A     0.388     0    0.023   0.343     0.959  100.000   97.619
LGA    R    81_A      R    81_A     0.436     0    0.014   1.051     3.137  100.000   81.905
LGA    Q    82_A      Q    82_A     0.367     0    0.026   0.172     0.456  100.000  100.000
LGA    I    83_A      I    83_A     0.365     0    0.010   0.062     0.565  100.000   98.810
LGA    W    84_A      W    84_A     0.198     0    0.012   1.048     7.619  100.000   54.694
LGA    M    85_A      M    85_A     0.214     0    0.037   0.236     1.097  100.000   97.679
LGA    S    86_A      S    86_A     0.024     0    0.072   0.097     0.167  100.000  100.000
LGA    S    87_A      S    87_A     0.352     0    0.018   0.046     0.505   97.619   98.413
LGA    P    88_A      P    88_A     0.310     0    0.022   0.061     0.418  100.000  100.000
LGA    V    89_A      V    89_A     0.188     0    0.059   0.139     0.370  100.000  100.000
LGA    S    90_A      S    90_A     0.226     0    0.052   0.074     0.271  100.000  100.000
LGA    G    91_A      G    91_A     0.059     0    0.055   0.055     0.281  100.000  100.000
LGA    P    92_A      P    92_A     0.462     0    0.114   0.131     1.014   95.357   93.265
LGA    S    93_A      S    93_A     0.380     0    0.034   0.036     0.404  100.000  100.000
LGA    R    94_A      R    94_A     0.245     0    0.085   0.576     2.343  100.000   91.688
LGA    F    95_A      F    95_A     0.317     0    0.027   0.069     0.422  100.000  100.000
LGA    D    96_A      D    96_A     0.424     0    0.068   0.225     0.771  100.000   98.810
LGA    W    97_A      W    97_A     0.560     0    0.020   0.093     0.953   90.476   90.476
LGA    D    98_A      D    98_A     0.517     0    0.012   0.155     0.882   90.476   92.857
LGA    R    99_A      R    99_A     1.029     0    0.051   0.907     2.110   85.952   77.706
LGA    D   100_A      D   100_A     0.627     0    0.053   0.219     1.171   90.476   89.345
LGA    A   101_A      A   101_A     0.640     0    0.063   0.061     0.991   90.476   90.476
LGA    N   102_A      N   102_A     0.531     0    0.024   1.371     4.276   90.476   72.976
LGA    A   103_A      A   103_A     0.438     0    0.082   0.102     0.491  100.000  100.000
LGA    W   104_A      W   104_A     0.426     0    0.075   0.142     0.717   97.619   93.197
LGA    I   105_A      I   105_A     0.138     0    0.056   0.600     1.860  100.000   96.607
LGA    Y   106_A      Y   106_A     0.244     0    0.020   0.065     0.889  100.000   96.825
LGA    R   107_A      R   107_A     0.852     0    0.024   1.231     6.773   90.476   63.680
LGA    R   108_A      R   108_A     0.650     0    0.031   0.639     3.009   95.238   73.377
LGA    T   109_A      T   109_A     0.481     0    0.041   0.064     0.726   97.619   95.918
LGA    E   110_A      E   110_A     0.283     0    0.050   0.634     2.065   97.619   91.905
LGA    A   111_A      A   111_A     0.364     0    0.014   0.027     0.433  100.000  100.000
LGA    K   112_A      K   112_A     0.406     0    0.044   0.155     0.920  100.000   95.767
LGA    L   113_A      L   113_A     0.502     0    0.024   0.034     0.552   95.238   96.429
LGA    H   114_A      H   114_A     0.286     0    0.077   1.100     5.769   97.619   68.476
LGA    K   115_A      K   115_A     0.535     0    0.055   0.883     4.917   92.857   79.259
LGA    L   116_A      L   116_A     0.549     0    0.007   0.055     0.825   90.476   90.476
LGA    L   117_A      L   117_A     0.366     0    0.054   0.068     0.455  100.000  100.000
LGA    E   118_A      E   118_A     0.368     0    0.060   0.151     0.631   97.619   96.825
LGA    E   119_A      E   119_A     0.358     0    0.014   1.220     5.123  100.000   77.672
LGA    E   120_A      E   120_A     0.444     0    0.013   0.081     0.563  100.000   98.942
LGA    L   121_A      L   121_A     0.358     0    0.064   0.082     0.470  100.000  100.000
LGA    E   122_A      E   122_A     0.395     0    0.047   0.170     0.950  100.000   95.767
LGA    N   123_A      N   123_A     0.369     0    0.022   0.296     0.946  100.000   98.810
LGA    L   124_A      L   124_A     0.191     0    0.010   0.088     0.318  100.000  100.000
LGA    C   125_A      C   125_A     0.318     0    0.041   0.056     0.528  100.000   98.413
LGA    G   126_A      G   126_A     0.217     0    0.035   0.035     0.217  100.000  100.000
LGA    E   127_A      E   127_A     0.354     0    0.044   0.458     1.253  100.000   94.815
LGA    P   128_A      P   128_A     0.448     0    0.082   0.093     0.639   97.619   94.558
LGA    I   129_A      I   129_A     0.553     0    0.039   0.049     0.669   95.238   92.857
LGA    Q   130_A      Q   130_A     0.414     0    0.028   0.742     2.741  100.000   88.307
LGA    L   131_A      L   131_A     0.472     0    0.086   0.103     0.834   97.619   94.048
LGA    S   132_A      S   132_A     0.504     0    0.466   0.484     1.548   88.452   89.127

# 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):     3.230          3.152                  3.376           88.792   84.256

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    0.66    92.480    92.560    14.951

LGA_LOCAL      RMSD:   0.662  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.539  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.230  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.135236 * X  +   0.942573 * Y  +  -0.305397 * Z  +  -7.257651
  Y_new =  -0.927284 * X  +   0.228996 * Y  +   0.296151 * Z  + -29.104818
  Z_new =   0.349079 * X  +   0.243140 * Y  +   0.905001 * Z  +   9.138004 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.425977 -0.356588  0.262464   [DEG:  -81.7024  -20.4310   15.0381 ]
ZXZ: -2.340826  0.439414  0.962412   [DEG: -134.1194   25.1766   55.1421 ]
 
# END of job
