
#######################################################
#                                                     #
#                        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       4.12     4.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      15_A - 132_A       1.70     4.38
  LCS_AVERAGE:     92.25

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      19_A - 132_A       0.65     4.54
  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    6  123      3    3    3    5    7    7    9   10   12   13   15   17   20   21   23   30   32   37   41   54 
LCS_GDT     S    11_A     S    11_A      3    6  123      3    3    4    4    6    7   14   16   19   24   28   32   47   52   57   59   67   78   86   96 
LCS_GDT     S    12_A     S    12_A      3    7  123      3    3    4    5    7    7   14   16   19   24   27   39   47   53   65   72   81   96  105  117 
LCS_GDT     G    13_A     G    13_A      4    7  123      3    4    5    5    7    9   14   18   20   27   33   39   54   60   65   78   94  107  115  118 
LCS_GDT     L    14_A     L    14_A      4    7  123      3    4    5    5    6    7   10   11   16   27   40   50   75   90  103  109  115  119  119  119 
LCS_GDT     V    15_A     V    15_A      4  118  123      3    5   12   23   30   40   63   79   91  109  114  117  117  117  118  118  118  119  119  119 
LCS_GDT     P    16_A     P    16_A      4  118  123      3    4    5    5   36   53   77  105  111  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     R    17_A     R    17_A      4  118  123      4    4    5    5   22   53   61   90  111  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     G    18_A     G    18_A      4  118  123      4    4    4    5    7    7   10   11   12   29   55  103  116  117  118  118  118  119  119  119 
LCS_GDT     S    19_A     S    19_A    114  118  123      4    4    4   53  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     H    20_A     H    20_A    114  118  123      6   37   92  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     M    21_A     M    21_A    114  118  123     30  109  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     Q    22_A     Q    22_A    114  118  123     43  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E    23_A     E    23_A    114  118  123     78  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E    24_A     E    24_A    114  118  123     41  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E    25_A     E    25_A    114  118  123     72  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     F    26_A     F    26_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     H    27_A     H    27_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     K    28_A     K    28_A    114  118  123     41  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L    29_A     L    29_A    114  118  123     67  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     A    30_A     A    30_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     N    31_A     N    31_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     F    32_A     F    32_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     T    33_A     T    33_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     I    34_A     I    34_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     N    35_A     N    35_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     H    36_A     H    36_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L    37_A     L    37_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L    38_A     L    38_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E    39_A     E    39_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     K    40_A     K    40_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     I    41_A     I    41_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E    42_A     E    42_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     D    43_A     D    43_A    114  118  123     72  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     Y    44_A     Y    44_A    114  118  123     72  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     G    45_A     G    45_A    114  118  123     72  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     D    46_A     D    46_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     N    47_A     N    47_A    114  118  123     40  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     V    48_A     V    48_A    114  118  123     19  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     Q    49_A     Q    49_A    114  118  123     41  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     I    50_A     I    50_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     D    51_A     D    51_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     G    52_A     G    52_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     F    53_A     F    53_A    114  118  123     77  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     D    54_A     D    54_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     I    55_A     I    55_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     D    56_A     D    56_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     Y    57_A     Y    57_A    114  118  123     41  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     G    58_A     G    58_A    114  118  123     75  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     N    59_A     N    59_A    114  118  123     53  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E    60_A     E    60_A    114  118  123     51  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     V    61_A     V    61_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L    62_A     L    62_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     T    63_A     T    63_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L    64_A     L    64_A    114  118  123     78  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     K    65_A     K    65_A    114  118  123     66  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L    66_A     L    66_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     G    67_A     G    67_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     S    68_A     S    68_A    114  118  123     58  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L    69_A     L    69_A    114  118  123     53  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     G    70_A     G    70_A    114  118  123     71  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     T    71_A     T    71_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     Y    72_A     Y    72_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     V    73_A     V    73_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L    74_A     L    74_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     N    75_A     N    75_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     K    76_A     K    76_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     Q    77_A     Q    77_A    114  118  123     71  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     T    78_A     T    78_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     P    79_A     P    79_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     N    80_A     N    80_A    114  118  123     77  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     R    81_A     R    81_A    114  118  123     77  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     Q    82_A     Q    82_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     I    83_A     I    83_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     W    84_A     W    84_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     M    85_A     M    85_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     S    86_A     S    86_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     S    87_A     S    87_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     P    88_A     P    88_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     V    89_A     V    89_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     S    90_A     S    90_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     G    91_A     G    91_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     P    92_A     P    92_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     S    93_A     S    93_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     R    94_A     R    94_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     F    95_A     F    95_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     D    96_A     D    96_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     W    97_A     W    97_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     D    98_A     D    98_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     R    99_A     R    99_A    114  118  123     21  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     D   100_A     D   100_A    114  118  123     75  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     A   101_A     A   101_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     N   102_A     N   102_A    114  118  123     75  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     A   103_A     A   103_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     W   104_A     W   104_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     I   105_A     I   105_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     Y   106_A     Y   106_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     R   107_A     R   107_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     R   108_A     R   108_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     T   109_A     T   109_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E   110_A     E   110_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     A   111_A     A   111_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     K   112_A     K   112_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L   113_A     L   113_A    114  118  123     69  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     H   114_A     H   114_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     K   115_A     K   115_A    114  118  123     38  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L   116_A     L   116_A    114  118  123     41  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L   117_A     L   117_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E   118_A     E   118_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E   119_A     E   119_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E   120_A     E   120_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L   121_A     L   121_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E   122_A     E   122_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     N   123_A     N   123_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L   124_A     L   124_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     C   125_A     C   125_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     G   126_A     G   126_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     E   127_A     E   127_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     P   128_A     P   128_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     I   129_A     I   129_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     Q   130_A     Q   130_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     L   131_A     L   131_A    114  118  123     79  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_GDT     S   132_A     S   132_A    114  118  123     66  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  118  119  119  119 
LCS_AVERAGE  LCS_A:  92.79  (  86.12   92.25  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     79    111    112    113    113    114    114    114    114    115    116    117    117    117    118    118    118    119    119    119 
GDT PERCENT_AT  64.23  90.24  91.06  91.87  91.87  92.68  92.68  92.68  92.68  93.50  94.31  95.12  95.12  95.12  95.93  95.93  95.93  96.75  96.75  96.75
GDT RMS_LOCAL    0.36   0.49   0.50   0.58   0.58   0.65   0.65   0.65   0.65   1.20   1.23   1.53   1.53   1.53   1.70   1.70   1.70   2.16   2.16   2.16
GDT RMS_ALL_AT   4.59   4.56   4.55   4.53   4.53   4.54   4.54   4.54   4.54   4.43   4.45   4.38   4.38   4.38   4.38   4.38   4.38   4.31   4.31   4.31

# 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    26.603     0    0.428   1.010    35.002    0.000    0.000
LGA    S    11_A      S    11_A    22.220     0    0.582   0.723    23.333    0.000    0.000
LGA    S    12_A      S    12_A    20.334     0    0.232   0.597    21.144    0.000    0.000
LGA    G    13_A      G    13_A    17.588     0    0.479   0.479    18.546    0.000    0.000
LGA    L    14_A      L    14_A    15.751     3    0.032   0.036    17.041    0.000    0.000
LGA    V    15_A      V    15_A    10.481     0    0.026   0.204    13.341    0.476    0.340
LGA    P    16_A      P    16_A     8.310     0    0.081   0.313     8.529    5.952    5.850
LGA    R    17_A      R    17_A     8.245     6    0.684   0.630     8.926    3.810    1.818
LGA    G    18_A      G    18_A     8.492     0    0.024   0.024     8.492   10.595   10.595
LGA    S    19_A      S    19_A     3.043     0    0.495   0.429     4.248   56.429   58.095
LGA    H    20_A      H    20_A     3.158     5    0.537   0.492     5.690   59.286   25.857
LGA    M    21_A      M    21_A     1.431     0    0.026   0.182     1.839   79.286   83.750
LGA    Q    22_A      Q    22_A     1.090     0    0.060   1.034     4.080   85.952   73.016
LGA    E    23_A      E    23_A     0.377     0    0.076   0.258     1.265   97.619   91.640
LGA    E    24_A      E    24_A     0.598     4    0.025   0.025     0.730   92.857   51.323
LGA    E    25_A      E    25_A     0.512     0    0.069   0.100     0.625   92.857   92.593
LGA    F    26_A      F    26_A     0.217     0    0.064   0.077     0.283  100.000  100.000
LGA    H    27_A      H    27_A     0.559     0    0.063   0.055     0.745   92.857   91.429
LGA    K    28_A      K    28_A     0.782     0    0.025   0.833     3.530   90.476   78.730
LGA    L    29_A      L    29_A     0.579     0    0.021   1.386     3.121   95.238   81.429
LGA    A    30_A      A    30_A     0.368     0    0.018   0.028     0.468  100.000  100.000
LGA    N    31_A      N    31_A     0.504     0    0.052   0.207     0.838   92.857   95.238
LGA    F    32_A      F    32_A     0.389     0    0.030   0.306     1.461  100.000   91.515
LGA    T    33_A      T    33_A     0.527     0    0.026   0.034     0.741   97.619   94.558
LGA    I    34_A      I    34_A     0.494     0    0.035   0.619     2.299   97.619   92.024
LGA    N    35_A      N    35_A     0.471     0    0.013   0.885     3.814   97.619   80.774
LGA    H    36_A      H    36_A     0.343     0    0.014   0.108     0.798  100.000   96.190
LGA    L    37_A      L    37_A     0.335     0    0.026   0.057     0.445  100.000  100.000
LGA    L    38_A      L    38_A     0.189     0    0.125   0.137     0.531   97.619   98.810
LGA    E    39_A      E    39_A     0.273     0    0.040   0.770     3.955  100.000   83.810
LGA    K    40_A      K    40_A     0.446     0    0.028   0.545     1.660  100.000   92.804
LGA    I    41_A      I    41_A     0.256     0    0.062   0.144     0.347  100.000  100.000
LGA    E    42_A      E    42_A     0.359     0    0.097   0.642     2.546  100.000   87.143
LGA    D    43_A      D    43_A     0.730     0    0.019   0.143     1.206   90.476   89.345
LGA    Y    44_A      Y    44_A     0.675     0    0.019   0.135     0.780   90.476   92.063
LGA    G    45_A      G    45_A     0.676     0    0.095   0.095     0.676   90.476   90.476
LGA    D    46_A      D    46_A     0.442     0    0.034   0.113     0.795  100.000   95.238
LGA    N    47_A      N    47_A     0.563     0    0.045   0.406     1.191   92.857   91.726
LGA    V    48_A      V    48_A     0.891     0    0.132   0.912     3.231   90.476   78.639
LGA    Q    49_A      Q    49_A     0.947     0    0.154   1.096     6.371   90.476   65.661
LGA    I    50_A      I    50_A     0.264     0    0.048   0.085     0.562   97.619   96.429
LGA    D    51_A      D    51_A     0.318     0    0.063   0.818     3.633   97.619   80.119
LGA    G    52_A      G    52_A     0.440     0    0.017   0.017     0.624   95.238   95.238
LGA    F    53_A      F    53_A     0.500     0    0.031   0.054     0.541   92.857   95.671
LGA    D    54_A      D    54_A     0.429     0    0.095   0.231     0.986   97.619   97.619
LGA    I    55_A      I    55_A     0.314     0    0.061   0.064     0.573   97.619   98.810
LGA    D    56_A      D    56_A     0.531     0    0.093   0.280     1.689   97.619   88.512
LGA    Y    57_A      Y    57_A     0.681     0    0.165   0.354     1.855   88.214   86.865
LGA    G    58_A      G    58_A     0.521     0    0.035   0.035     0.896   92.857   92.857
LGA    N    59_A      N    59_A     0.652     0    0.022   1.014     2.228   90.476   84.048
LGA    E    60_A      E    60_A     0.696     0    0.038   0.239     0.927   90.476   91.534
LGA    V    61_A      V    61_A     0.386     0    0.082   1.124     2.641   97.619   87.483
LGA    L    62_A      L    62_A     0.364     0    0.032   0.138     0.538  100.000   98.810
LGA    T    63_A      T    63_A     0.419     0    0.033   0.175     0.999  100.000   97.279
LGA    L    64_A      L    64_A     0.479     0    0.029   0.073     0.559   95.238   92.857
LGA    K    65_A      K    65_A     0.590     0    0.062   1.000     4.237   90.476   80.688
LGA    L    66_A      L    66_A     0.402     0    0.030   0.166     0.638  100.000   98.810
LGA    G    67_A      G    67_A     0.362     0    0.079   0.079     0.494  100.000  100.000
LGA    S    68_A      S    68_A     0.779     0    0.077   0.596     3.102   90.476   83.730
LGA    L    69_A      L    69_A     0.894     0    0.035   0.098     1.113   88.214   89.345
LGA    G    70_A      G    70_A     0.554     0    0.046   0.046     0.712   95.238   95.238
LGA    T    71_A      T    71_A     0.332     0    0.024   0.045     0.380  100.000  100.000
LGA    Y    72_A      Y    72_A     0.275     0    0.032   0.109     0.534  100.000   99.206
LGA    V    73_A      V    73_A     0.176     0    0.048   0.056     0.224  100.000  100.000
LGA    L    74_A      L    74_A     0.433     0    0.041   0.150     0.542  100.000   98.810
LGA    N    75_A      N    75_A     0.399     0    0.051   1.104     2.386  100.000   88.810
LGA    K    76_A      K    76_A     0.315     0    0.026   0.394     1.915  100.000   93.862
LGA    Q    77_A      Q    77_A     0.546     0    0.066   1.049     3.233   95.238   84.127
LGA    T    78_A      T    78_A     0.251     0    0.061   0.086     0.439  100.000  100.000
LGA    P    79_A      P    79_A     0.282     0    0.021   0.051     0.448  100.000  100.000
LGA    N    80_A      N    80_A     0.380     0    0.037   0.278     0.736  100.000   97.619
LGA    R    81_A      R    81_A     0.453     0    0.012   1.048     2.883  100.000   83.247
LGA    Q    82_A      Q    82_A     0.381     0    0.021   0.208     0.484  100.000  100.000
LGA    I    83_A      I    83_A     0.371     0    0.014   0.053     0.531  100.000   98.810
LGA    W    84_A      W    84_A     0.312     0    0.038   0.095     0.416  100.000  100.000
LGA    M    85_A      M    85_A     0.294     0    0.035   0.226     1.163  100.000   97.679
LGA    S    86_A      S    86_A     0.036     0    0.077   0.100     0.170  100.000  100.000
LGA    S    87_A      S    87_A     0.318     0    0.017   0.047     0.468  100.000  100.000
LGA    P    88_A      P    88_A     0.303     0    0.019   0.056     0.431  100.000  100.000
LGA    V    89_A      V    89_A     0.231     0    0.063   0.143     0.471  100.000  100.000
LGA    S    90_A      S    90_A     0.254     0    0.056   0.077     0.287  100.000  100.000
LGA    G    91_A      G    91_A     0.156     0    0.041   0.041     0.281  100.000  100.000
LGA    P    92_A      P    92_A     0.258     0    0.104   0.117     0.719   97.619   97.279
LGA    S    93_A      S    93_A     0.368     0    0.028   0.031     0.393  100.000  100.000
LGA    R    94_A      R    94_A     0.251     0    0.091   0.368     1.944  100.000   92.424
LGA    F    95_A      F    95_A     0.258     0    0.037   0.080     0.427  100.000  100.000
LGA    D    96_A      D    96_A     0.368     0    0.061   0.178     0.492  100.000  100.000
LGA    W    97_A      W    97_A     0.534     0    0.016   0.083     0.699   90.476   90.476
LGA    D    98_A      D    98_A     0.462     0    0.026   0.123     0.924   92.857   92.857
LGA    R    99_A      R    99_A     1.017     0    0.064   0.227     1.440   85.952   83.074
LGA    D   100_A      D   100_A     0.509     0    0.048   0.246     1.251   92.857   90.536
LGA    A   101_A      A   101_A     0.482     0    0.080   0.076     0.920   95.238   96.190
LGA    N   102_A      N   102_A     0.508     0    0.023   1.338     4.453   95.238   75.357
LGA    A   103_A      A   103_A     0.394     0    0.086   0.108     0.461  100.000  100.000
LGA    W   104_A      W   104_A     0.384     0    0.068   0.136     0.607  100.000   95.918
LGA    I   105_A      I   105_A     0.151     0    0.043   0.063     0.241  100.000  100.000
LGA    Y   106_A      Y   106_A     0.186     0    0.022   0.036     0.311  100.000  100.000
LGA    R   107_A      R   107_A     0.587     0    0.019   0.488     1.177   95.238   91.385
LGA    R   108_A      R   108_A     0.372     0    0.025   0.668     2.306  100.000   81.515
LGA    T   109_A      T   109_A     0.586     0    0.057   0.083     0.820   92.857   93.197
LGA    E   110_A      E   110_A     0.382     0    0.073   0.569     1.937   97.619   93.810
LGA    A   111_A      A   111_A     0.547     0    0.015   0.026     0.677   97.619   96.190
LGA    K   112_A      K   112_A     0.563     0    0.042   0.140     0.902   92.857   91.534
LGA    L   113_A      L   113_A     0.612     0    0.026   0.053     0.676   90.476   90.476
LGA    H   114_A      H   114_A     0.428     0    0.064   1.087     5.711   92.857   67.714
LGA    K   115_A      K   115_A     0.706     0    0.063   0.887     4.908   90.476   78.201
LGA    L   116_A      L   116_A     0.705     0    0.008   0.078     1.112   90.476   89.345
LGA    L   117_A      L   117_A     0.425     0    0.059   0.060     0.521   95.238   97.619
LGA    E   118_A      E   118_A     0.442     0    0.059   0.171     0.754   97.619   95.767
LGA    E   119_A      E   119_A     0.459     0    0.016   1.236     5.068   97.619   76.508
LGA    E   120_A      E   120_A     0.526     0    0.019   0.079     0.618   92.857   91.534
LGA    L   121_A      L   121_A     0.402     0    0.075   0.092     0.477  100.000  100.000
LGA    E   122_A      E   122_A     0.400     0    0.044   0.199     0.947  100.000   96.825
LGA    N   123_A      N   123_A     0.357     0    0.027   0.301     0.917  100.000   98.810
LGA    L   124_A      L   124_A     0.261     0    0.012   0.099     0.353  100.000  100.000
LGA    C   125_A      C   125_A     0.424     0    0.050   0.104     0.484  100.000  100.000
LGA    G   126_A      G   126_A     0.316     0    0.036   0.036     0.361  100.000  100.000
LGA    E   127_A      E   127_A     0.457     0    0.046   0.391     1.341  100.000   93.704
LGA    P   128_A      P   128_A     0.358     0    0.070   0.087     0.603   97.619   98.639
LGA    I   129_A      I   129_A     0.479     0    0.038   0.044     0.527  100.000   97.619
LGA    Q   130_A      Q   130_A     0.459     0    0.024   1.091     4.021  100.000   81.958
LGA    L   131_A      L   131_A     0.494     0    0.090   0.100     0.736   95.238   94.048
LGA    S   132_A      S   132_A     0.789     0    0.496   0.534     1.665   88.452   86.111

# 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):     4.120          4.028                  4.161           88.930   84.823

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    0.65    92.683    92.700    15.239

LGA_LOCAL      RMSD:   0.648  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.544  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   4.120  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.865354 * X  +   0.254423 * Y  +   0.431777 * Z  +  -7.874411
  Y_new =  -0.496718 * X  +   0.549884 * Y  +   0.671490 * Z  + -30.068691
  Z_new =  -0.066585 * X  +  -0.795548 * Y  +   0.602220 * Z  +  10.746437 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.521087  0.066634 -0.922838   [DEG:  -29.8561    3.8179  -52.8747 ]
ZXZ:  2.570144  0.924517 -3.058090   [DEG:  147.2584   52.9709 -175.2157 ]
 
# END of job
