
#######################################################
#                                                     #
#                        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       3.24     3.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      14_A - 132_A       1.92     3.37
  LCS_AVERAGE:     93.76

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      19_A - 132_A       0.65     3.55
  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    5  123      3    3    3    3    5    7    8    9   12   14   21   24   31   47   49   57   62   78   95  100 
LCS_GDT     S    11_A     S    11_A      3    5  123      3    4    4    6   12   18   28   31   43   54   62   73   85   98  110  116  121  122  122  122 
LCS_GDT     S    12_A     S    12_A      3    7  123      3    4    4    5    9   17   22   27   40   45   62   72   85   98  110  116  121  122  122  122 
LCS_GDT     G    13_A     G    13_A      4    7  123      3    4    5    5   10   18   28   31   43   54   62   77   90  107  117  119  121  122  122  122 
LCS_GDT     L    14_A     L    14_A      4  119  123      3    4    5    5    6    7   10   10   28   54   69   97  108  113  117  119  121  122  122  122 
LCS_GDT     V    15_A     V    15_A      4  119  123      3   10   23   33   60   83  102  110  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     P    16_A     P    16_A      4  119  123      3    4    5    5   13   50   66  106  109  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     R    17_A     R    17_A      4  119  123      4    4    5    5   23   53   66  112  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     G    18_A     G    18_A      4  119  123      4    4    4    5    6    7   10   10   12   14   33   65   97  118  118  119  119  122  122  122 
LCS_GDT     S    19_A     S    19_A    114  119  123      4    4    4    4    5  113  114  114  114  114  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     H    20_A     H    20_A    114  119  123     11   66  110  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     M    21_A     M    21_A    114  119  123     37  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     Q    22_A     Q    22_A    114  119  123     41  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E    23_A     E    23_A    114  119  123     75  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E    24_A     E    24_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E    25_A     E    25_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     F    26_A     F    26_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     H    27_A     H    27_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     K    28_A     K    28_A    114  119  123     74  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L    29_A     L    29_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     A    30_A     A    30_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     N    31_A     N    31_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     F    32_A     F    32_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     T    33_A     T    33_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     I    34_A     I    34_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     N    35_A     N    35_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     H    36_A     H    36_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L    37_A     L    37_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L    38_A     L    38_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E    39_A     E    39_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     K    40_A     K    40_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     I    41_A     I    41_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E    42_A     E    42_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     D    43_A     D    43_A    114  119  123     81  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     Y    44_A     Y    44_A    114  119  123     81  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     G    45_A     G    45_A    114  119  123     81  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     D    46_A     D    46_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     N    47_A     N    47_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     V    48_A     V    48_A    114  119  123     14  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     Q    49_A     Q    49_A    114  119  123     42  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     I    50_A     I    50_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     D    51_A     D    51_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     G    52_A     G    52_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     F    53_A     F    53_A    114  119  123     90  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     D    54_A     D    54_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     I    55_A     I    55_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     D    56_A     D    56_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     Y    57_A     Y    57_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     G    58_A     G    58_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     N    59_A     N    59_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E    60_A     E    60_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     V    61_A     V    61_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L    62_A     L    62_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     T    63_A     T    63_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L    64_A     L    64_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     K    65_A     K    65_A    114  119  123     79  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L    66_A     L    66_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     G    67_A     G    67_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     S    68_A     S    68_A    114  119  123     64  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L    69_A     L    69_A    114  119  123     44  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     G    70_A     G    70_A    114  119  123     74  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     T    71_A     T    71_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     Y    72_A     Y    72_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     V    73_A     V    73_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L    74_A     L    74_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     N    75_A     N    75_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     K    76_A     K    76_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     Q    77_A     Q    77_A    114  119  123     73  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     T    78_A     T    78_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     P    79_A     P    79_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     N    80_A     N    80_A    114  119  123     88  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     R    81_A     R    81_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     Q    82_A     Q    82_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     I    83_A     I    83_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     W    84_A     W    84_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     M    85_A     M    85_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     S    86_A     S    86_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     S    87_A     S    87_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     P    88_A     P    88_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     V    89_A     V    89_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     S    90_A     S    90_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     G    91_A     G    91_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     P    92_A     P    92_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     S    93_A     S    93_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     R    94_A     R    94_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     F    95_A     F    95_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     D    96_A     D    96_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     W    97_A     W    97_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     D    98_A     D    98_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     R    99_A     R    99_A    114  119  123     48  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     D   100_A     D   100_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     A   101_A     A   101_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     N   102_A     N   102_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     A   103_A     A   103_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     W   104_A     W   104_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     I   105_A     I   105_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     Y   106_A     Y   106_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     R   107_A     R   107_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     R   108_A     R   108_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     T   109_A     T   109_A    114  119  123     52  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E   110_A     E   110_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     A   111_A     A   111_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     K   112_A     K   112_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L   113_A     L   113_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     H   114_A     H   114_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     K   115_A     K   115_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L   116_A     L   116_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L   117_A     L   117_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E   118_A     E   118_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E   119_A     E   119_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E   120_A     E   120_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L   121_A     L   121_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E   122_A     E   122_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     N   123_A     N   123_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L   124_A     L   124_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     C   125_A     C   125_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     G   126_A     G   126_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     E   127_A     E   127_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     P   128_A     P   128_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     I   129_A     I   129_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     Q   130_A     Q   130_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     L   131_A     L   131_A    114  119  123     93  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_GDT     S   132_A     S   132_A    114  119  123     68  112  112  113  113  113  114  114  115  116  117  117  117  118  118  119  121  122  122  122 
LCS_AVERAGE  LCS_A:  93.29  (  86.12   93.76  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     93    112    112    113    113    113    114    114    115    116    117    117    117    118    118    119    121    122    122    122 
GDT PERCENT_AT  75.61  91.06  91.06  91.87  91.87  91.87  92.68  92.68  93.50  94.31  95.12  95.12  95.12  95.93  95.93  96.75  98.37  99.19  99.19  99.19
GDT RMS_LOCAL    0.37   0.48   0.48   0.53   0.53   0.53   0.65   0.65   1.11   1.29   1.35   1.35   1.35   1.56   1.56   2.09   2.73   2.83   2.83   2.83
GDT RMS_ALL_AT   3.58   3.55   3.55   3.53   3.53   3.53   3.55   3.55   3.44   3.41   3.43   3.43   3.43   3.43   3.43   3.32   3.25   3.25   3.25   3.25

# 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    19.772     0    0.396   1.016    27.921    0.000    0.000
LGA    S    11_A      S    11_A    15.908     0    0.592   0.824    16.593    0.000    0.000
LGA    S    12_A      S    12_A    15.582     0    0.173   0.585    15.830    0.000    0.000
LGA    G    13_A      G    13_A    13.554     0    0.490   0.490    14.219    0.000    0.000
LGA    L    14_A      L    14_A    13.189     3    0.021   0.023    15.023    0.000    0.000
LGA    V    15_A      V    15_A     7.836     0    0.015   0.091     9.936    6.190    5.306
LGA    P    16_A      P    16_A     7.833     0    0.070   0.309     8.831   10.119    8.776
LGA    R    17_A      R    17_A     7.577     6    0.664   0.624     8.100    5.952    2.814
LGA    G    18_A      G    18_A     8.866     0    0.063   0.063     8.866    8.333    8.333
LGA    S    19_A      S    19_A     3.924     0    0.541   0.476     4.916   51.190   49.841
LGA    H    20_A      H    20_A     2.605     5    0.558   0.507     5.203   64.881   28.571
LGA    M    21_A      M    21_A     1.339     0    0.027   0.136     1.624   79.286   83.750
LGA    Q    22_A      Q    22_A     1.201     0    0.038   1.239     3.627   85.952   72.804
LGA    E    23_A      E    23_A     0.663     0    0.061   0.127     1.053   95.238   91.587
LGA    E    24_A      E    24_A     0.355     4    0.028   0.026     0.465  100.000   55.556
LGA    E    25_A      E    25_A     0.386     0    0.070   0.106     0.601  100.000   96.825
LGA    F    26_A      F    26_A     0.179     0    0.070   0.091     0.339  100.000  100.000
LGA    H    27_A      H    27_A     0.515     0    0.061   0.087     0.976   92.857   91.429
LGA    K    28_A      K    28_A     0.658     0    0.025   0.831     3.369   90.476   80.476
LGA    L    29_A      L    29_A     0.458     0    0.013   1.392     3.173   97.619   83.810
LGA    A    30_A      A    30_A     0.308     0    0.011   0.019     0.448  100.000  100.000
LGA    N    31_A      N    31_A     0.531     0    0.037   0.188     0.712   92.857   91.667
LGA    F    32_A      F    32_A     0.418     0    0.037   0.285     1.250  100.000   91.515
LGA    T    33_A      T    33_A     0.498     0    0.028   0.056     0.686   97.619   94.558
LGA    I    34_A      I    34_A     0.512     0    0.040   0.081     0.614   95.238   92.857
LGA    N    35_A      N    35_A     0.495     0    0.018   0.886     4.025   97.619   79.048
LGA    H    36_A      H    36_A     0.395     0    0.013   0.112     0.800  100.000   94.286
LGA    L    37_A      L    37_A     0.342     0    0.023   0.075     0.459  100.000  100.000
LGA    L    38_A      L    38_A     0.210     0    0.119   0.133     0.444  100.000  100.000
LGA    E    39_A      E    39_A     0.271     0    0.048   0.359     1.802  100.000   93.810
LGA    K    40_A      K    40_A     0.427     0    0.031   0.566     2.089  100.000   91.905
LGA    I    41_A      I    41_A     0.310     0    0.057   0.137     0.414  100.000  100.000
LGA    E    42_A      E    42_A     0.385     0    0.100   0.639     2.470  100.000   87.989
LGA    D    43_A      D    43_A     0.704     0    0.020   0.133     1.129   90.476   89.345
LGA    Y    44_A      Y    44_A     0.651     0    0.021   0.129     0.778   90.476   92.063
LGA    G    45_A      G    45_A     0.663     0    0.097   0.097     0.663   90.476   90.476
LGA    D    46_A      D    46_A     0.442     0    0.035   0.120     0.721  100.000   96.429
LGA    N    47_A      N    47_A     0.512     0    0.039   0.405     1.091   92.857   91.726
LGA    V    48_A      V    48_A     0.817     0    0.120   0.914     3.240   90.476   78.639
LGA    Q    49_A      Q    49_A     0.926     0    0.149   1.080     6.271   90.476   66.561
LGA    I    50_A      I    50_A     0.370     0    0.046   0.071     0.608   97.619   96.429
LGA    D    51_A      D    51_A     0.202     0    0.057   0.819     3.481   97.619   81.905
LGA    G    52_A      G    52_A     0.436     0    0.015   0.015     0.663   95.238   95.238
LGA    F    53_A      F    53_A     0.491     0    0.034   0.060     0.584   95.238   98.268
LGA    D    54_A      D    54_A     0.334     0    0.094   0.217     0.825   97.619   97.619
LGA    I    55_A      I    55_A     0.147     0    0.058   0.068     0.309  100.000  100.000
LGA    D    56_A      D    56_A     0.414     0    0.086   0.309     1.486  100.000   91.845
LGA    Y    57_A      Y    57_A     0.437     0    0.175   0.321     1.577   92.976   89.921
LGA    G    58_A      G    58_A     0.295     0    0.034   0.034     0.554   97.619   97.619
LGA    N    59_A      N    59_A     0.296     0    0.021   1.027     2.370  100.000   92.202
LGA    E    60_A      E    60_A     0.376     0    0.028   0.161     0.548  100.000   97.884
LGA    V    61_A      V    61_A     0.204     0    0.087   1.126     2.460  100.000   89.932
LGA    L    62_A      L    62_A     0.284     0    0.029   0.118     0.437  100.000  100.000
LGA    T    63_A      T    63_A     0.302     0    0.031   0.172     0.911  100.000   98.639
LGA    L    64_A      L    64_A     0.380     0    0.032   0.071     0.445  100.000  100.000
LGA    K    65_A      K    65_A     0.529     0    0.067   0.995     4.174   92.857   81.746
LGA    L    66_A      L    66_A     0.330     0    0.035   0.161     0.497  100.000  100.000
LGA    G    67_A      G    67_A     0.438     0    0.070   0.070     0.638   95.238   95.238
LGA    S    68_A      S    68_A     0.888     0    0.057   0.583     3.111   90.476   83.730
LGA    L    69_A      L    69_A     0.922     0    0.028   0.095     1.129   88.214   89.345
LGA    G    70_A      G    70_A     0.609     0    0.047   0.047     0.756   95.238   95.238
LGA    T    71_A      T    71_A     0.371     0    0.021   0.045     0.437  100.000  100.000
LGA    Y    72_A      Y    72_A     0.256     0    0.024   0.101     0.412  100.000  100.000
LGA    V    73_A      V    73_A     0.159     0    0.031   0.037     0.209  100.000  100.000
LGA    L    74_A      L    74_A     0.339     0    0.038   0.159     0.538  100.000   97.619
LGA    N    75_A      N    75_A     0.337     0    0.038   1.078     2.859  100.000   92.321
LGA    K    76_A      K    76_A     0.262     0    0.026   0.393     1.434  100.000   95.820
LGA    Q    77_A      Q    77_A     0.602     0    0.079   1.079     4.012   97.619   81.852
LGA    T    78_A      T    78_A     0.210     0    0.056   0.063     0.431  100.000  100.000
LGA    P    79_A      P    79_A     0.373     0    0.020   0.042     0.574  100.000   97.279
LGA    N    80_A      N    80_A     0.490     0    0.029   0.315     0.957   97.619   96.429
LGA    R    81_A      R    81_A     0.411     0    0.028   1.089     3.120  100.000   82.771
LGA    Q    82_A      Q    82_A     0.364     0    0.021   0.175     0.429  100.000  100.000
LGA    I    83_A      I    83_A     0.365     0    0.007   0.061     0.533  100.000   98.810
LGA    W    84_A      W    84_A     0.181     0    0.017   1.050     7.812  100.000   53.707
LGA    M    85_A      M    85_A     0.209     0    0.031   0.231     0.988  100.000   98.810
LGA    S    86_A      S    86_A     0.105     0    0.062   0.104     0.371  100.000  100.000
LGA    S    87_A      S    87_A     0.431     0    0.016   0.050     0.600   97.619   98.413
LGA    P    88_A      P    88_A     0.337     0    0.017   0.057     0.437  100.000  100.000
LGA    V    89_A      V    89_A     0.218     0    0.061   0.141     0.391  100.000  100.000
LGA    S    90_A      S    90_A     0.382     0    0.049   0.069     0.426  100.000  100.000
LGA    G    91_A      G    91_A     0.155     0    0.055   0.055     0.315  100.000  100.000
LGA    P    92_A      P    92_A     0.422     0    0.094   0.108     0.864   97.619   94.558
LGA    S    93_A      S    93_A     0.377     0    0.030   0.033     0.415  100.000  100.000
LGA    R    94_A      R    94_A     0.224     0    0.081   0.851     3.600  100.000   88.182
LGA    F    95_A      F    95_A     0.226     0    0.038   0.084     0.421  100.000  100.000
LGA    D    96_A      D    96_A     0.352     0    0.057   0.133     0.416  100.000  100.000
LGA    W    97_A      W    97_A     0.468     0    0.012   0.090     0.625   95.238   93.878
LGA    D    98_A      D    98_A     0.442     0    0.022   0.119     0.837   92.857   92.857
LGA    R    99_A      R    99_A     0.890     0    0.070   0.187     1.273   88.214   84.719
LGA    D   100_A      D   100_A     0.454     0    0.048   0.219     1.056   95.238   92.917
LGA    A   101_A      A   101_A     0.459     0    0.067   0.064     0.839   95.238   96.190
LGA    N   102_A      N   102_A     0.448     0    0.021   1.338     4.333   97.619   77.321
LGA    A   103_A      A   103_A     0.385     0    0.087   0.109     0.495  100.000  100.000
LGA    W   104_A      W   104_A     0.342     0    0.067   0.137     0.573  100.000   97.959
LGA    I   105_A      I   105_A     0.145     0    0.048   0.065     0.215  100.000  100.000
LGA    Y   106_A      Y   106_A     0.186     0    0.031   0.067     0.427  100.000  100.000
LGA    R   107_A      R   107_A     0.516     0    0.022   0.469     1.101   97.619   92.251
LGA    R   108_A      R   108_A     0.462     0    0.018   0.653     2.355  100.000   80.779
LGA    T   109_A      T   109_A     0.667     0    0.051   0.054     0.885   92.857   91.837
LGA    E   110_A      E   110_A     0.424     0    0.070   0.458     1.723   97.619   93.810
LGA    A   111_A      A   111_A     0.555     0    0.014   0.026     0.706   97.619   96.190
LGA    K   112_A      K   112_A     0.491     0    0.044   0.144     1.100   97.619   93.704
LGA    L   113_A      L   113_A     0.519     0    0.030   0.042     0.579   95.238   96.429
LGA    H   114_A      H   114_A     0.330     0    0.084   1.105     5.744   97.619   69.619
LGA    K   115_A      K   115_A     0.525     0    0.064   0.896     5.095   92.857   77.831
LGA    L   116_A      L   116_A     0.530     0    0.006   0.070     0.946   92.857   92.857
LGA    L   117_A      L   117_A     0.399     0    0.046   1.320     2.832   97.619   86.726
LGA    E   118_A      E   118_A     0.459     0    0.062   0.189     0.799   97.619   95.767
LGA    E   119_A      E   119_A     0.392     0    0.012   1.226     5.162   97.619   76.614
LGA    E   120_A      E   120_A     0.456     0    0.021   0.081     0.600  100.000   96.825
LGA    L   121_A      L   121_A     0.383     0    0.067   0.074     0.469  100.000  100.000
LGA    E   122_A      E   122_A     0.360     0    0.055   0.216     1.026  100.000   96.878
LGA    N   123_A      N   123_A     0.348     0    0.025   0.290     0.946  100.000   98.810
LGA    L   124_A      L   124_A     0.209     0    0.010   0.098     0.373  100.000  100.000
LGA    C   125_A      C   125_A     0.335     0    0.050   0.065     0.447  100.000  100.000
LGA    G   126_A      G   126_A     0.254     0    0.042   0.042     0.308  100.000  100.000
LGA    E   127_A      E   127_A     0.455     0    0.048   0.381     1.245  100.000   93.704
LGA    P   128_A      P   128_A     0.450     0    0.065   0.082     0.553   97.619   95.918
LGA    I   129_A      I   129_A     0.519     0    0.031   0.044     0.610   95.238   94.048
LGA    Q   130_A      Q   130_A     0.437     0    0.024   1.145     3.946  100.000   83.492
LGA    L   131_A      L   131_A     0.485     0    0.092   0.103     0.850   95.238   92.857
LGA    S   132_A      S   132_A     0.819     0    0.513   0.523     1.753   88.452   84.683

# 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):     3.237          3.152                  3.378           89.746   84.956

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    0.65    93.089    93.298    15.270

LGA_LOCAL      RMSD:   0.647  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.551  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.237  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.207341 * X  +   0.939827 * Y  +  -0.271542 * Z  +  -9.536222
  Y_new =  -0.927346 * X  +   0.277213 * Y  +   0.251363 * Z  + -33.739868
  Z_new =   0.311512 * X  +   0.199696 * Y  +   0.929022 * Z  +  12.746583 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.350829 -0.316784  0.211731   [DEG:  -77.3968  -18.1504   12.1313 ]
ZXZ: -2.317622  0.379036  1.000737   [DEG: -132.7900   21.7172   57.3380 ]
 
# END of job
