
#######################################################
#                                                     #
#                        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       3.59     3.59
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      15_A - 132_A       1.64     3.81
  LCS_AVERAGE:     92.23

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      19_A - 132_A       0.63     3.96
  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    4    4    4    5    7    8   11   13   13   18   21   28   37   41   43   55   67   74   81 
LCS_GDT     S    11_A     S    11_A      3    4  123      3    3    3    5   11   15   18   23   32   37   48   59   69   76   89   97  109  120  122  122 
LCS_GDT     S    12_A     S    12_A      3    7  123      3    4    4    5    6    9   16   23   27   35   42   53   64   74   82   97  105  120  122  122 
LCS_GDT     G    13_A     G    13_A      4    7  123      3    4    4    5   10   11   17   23   27   37   47   59   69   76   89  109  117  120  122  122 
LCS_GDT     L    14_A     L    14_A      4    7  123      3    4    4    5    6    8   10   11   18   37   52   67   82  103  110  115  119  120  122  122 
LCS_GDT     V    15_A     V    15_A      4  118  123      3    5   15   23   31   42   68   87  102  111  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     P    16_A     P    16_A      4  118  123      3    4    4    5   44   57   79  105  112  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     R    17_A     R    17_A      4  118  123      4    4    4    5   14   41   63   79  105  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     G    18_A     G    18_A      4  118  123      4    4    4    5    6    8   10   11   13   28   52   85  117  117  118  118  119  120  122  122 
LCS_GDT     S    19_A     S    19_A    114  118  123      4    4    4    4  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     H    20_A     H    20_A    114  118  123      8   48   99  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     M    21_A     M    21_A    114  118  123     32  109  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     Q    22_A     Q    22_A    114  118  123     61  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E    23_A     E    23_A    114  118  123     69  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E    24_A     E    24_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E    25_A     E    25_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     F    26_A     F    26_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     H    27_A     H    27_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     K    28_A     K    28_A    114  118  123     84  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L    29_A     L    29_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     A    30_A     A    30_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     N    31_A     N    31_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     F    32_A     F    32_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     T    33_A     T    33_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     I    34_A     I    34_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     N    35_A     N    35_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     H    36_A     H    36_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L    37_A     L    37_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L    38_A     L    38_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E    39_A     E    39_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     K    40_A     K    40_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     I    41_A     I    41_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E    42_A     E    42_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     D    43_A     D    43_A    114  118  123     64  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     Y    44_A     Y    44_A    114  118  123     64  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     G    45_A     G    45_A    114  118  123     64  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     D    46_A     D    46_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     N    47_A     N    47_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     V    48_A     V    48_A    114  118  123     12  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     Q    49_A     Q    49_A    114  118  123     40  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     I    50_A     I    50_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     D    51_A     D    51_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     G    52_A     G    52_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     F    53_A     F    53_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     D    54_A     D    54_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     I    55_A     I    55_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     D    56_A     D    56_A    114  118  123     69  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     Y    57_A     Y    57_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     G    58_A     G    58_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     N    59_A     N    59_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E    60_A     E    60_A    114  118  123     63  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     V    61_A     V    61_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L    62_A     L    62_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     T    63_A     T    63_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L    64_A     L    64_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     K    65_A     K    65_A    114  118  123     83  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L    66_A     L    66_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     G    67_A     G    67_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     S    68_A     S    68_A    114  118  123     64  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L    69_A     L    69_A    114  118  123     61  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     G    70_A     G    70_A    114  118  123     80  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     T    71_A     T    71_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     Y    72_A     Y    72_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     V    73_A     V    73_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L    74_A     L    74_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     N    75_A     N    75_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     K    76_A     K    76_A    114  118  123     78  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     Q    77_A     Q    77_A    114  118  123     69  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     T    78_A     T    78_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     P    79_A     P    79_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     N    80_A     N    80_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     R    81_A     R    81_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     Q    82_A     Q    82_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     I    83_A     I    83_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     W    84_A     W    84_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     M    85_A     M    85_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     S    86_A     S    86_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     S    87_A     S    87_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     P    88_A     P    88_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     V    89_A     V    89_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     S    90_A     S    90_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     G    91_A     G    91_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     P    92_A     P    92_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     S    93_A     S    93_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     R    94_A     R    94_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     F    95_A     F    95_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     D    96_A     D    96_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     W    97_A     W    97_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     D    98_A     D    98_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     R    99_A     R    99_A    114  118  123     24  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     D   100_A     D   100_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     A   101_A     A   101_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     N   102_A     N   102_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     A   103_A     A   103_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     W   104_A     W   104_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     I   105_A     I   105_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     Y   106_A     Y   106_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     R   107_A     R   107_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     R   108_A     R   108_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     T   109_A     T   109_A    114  118  123     59  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E   110_A     E   110_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     A   111_A     A   111_A    114  118  123     70  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     K   112_A     K   112_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L   113_A     L   113_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     H   114_A     H   114_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     K   115_A     K   115_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L   116_A     L   116_A    114  118  123     76  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L   117_A     L   117_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E   118_A     E   118_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E   119_A     E   119_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E   120_A     E   120_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L   121_A     L   121_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E   122_A     E   122_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     N   123_A     N   123_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L   124_A     L   124_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     C   125_A     C   125_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     G   126_A     G   126_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     E   127_A     E   127_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     P   128_A     P   128_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     I   129_A     I   129_A    114  118  123     82  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     Q   130_A     Q   130_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     L   131_A     L   131_A    114  118  123     85  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  122  122 
LCS_GDT     S   132_A     S   132_A    114  118  123     64  111  112  113  113  114  114  114  114  115  116  117  117  117  118  118  119  120  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     85    111    112    113    113    114    114    114    114    115    116    117    117    117    118    118    119    120    122    122 
GDT PERCENT_AT  69.11  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  96.75  97.56  99.19  99.19
GDT RMS_LOCAL    0.36   0.45   0.47   0.55   0.55   0.63   0.63   0.63   0.63   0.96   1.20   1.46   1.46   1.46   1.64   1.64   2.06   2.84   3.15   3.15
GDT RMS_ALL_AT   3.99   3.98   3.97   3.94   3.94   3.96   3.96   3.96   3.96   3.91   3.87   3.81   3.81   3.81   3.81   3.81   3.74   3.63   3.60   3.60

# 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    21.797     0    0.384   0.825    29.062    0.000    0.000
LGA    S    11_A      S    11_A    18.128     0    0.545   0.612    18.737    0.000    0.000
LGA    S    12_A      S    12_A    17.789     0    0.147   0.568    18.033    0.000    0.000
LGA    G    13_A      G    13_A    15.722     0    0.490   0.490    16.438    0.000    0.000
LGA    L    14_A      L    14_A    14.793     3    0.054   0.055    16.369    0.000    0.000
LGA    V    15_A      V    15_A     9.721     0    0.009   0.084    12.299    1.190    0.680
LGA    P    16_A      P    16_A     7.905     0    0.087   0.321     8.312    7.143    7.619
LGA    R    17_A      R    17_A     8.242     6    0.705   0.641     9.593    3.690    1.775
LGA    G    18_A      G    18_A     8.527     0    0.103   0.103     8.527    9.286    9.286
LGA    S    19_A      S    19_A     3.192     0    0.502   0.434     4.271   56.429   55.635
LGA    H    20_A      H    20_A     3.005     5    0.561   0.509     5.557   61.190   26.619
LGA    M    21_A      M    21_A     1.522     0    0.680   0.854     4.048   61.905   73.988
LGA    Q    22_A      Q    22_A     0.832     0    0.060   1.271     3.764   90.476   75.714
LGA    E    23_A      E    23_A     0.612     0    0.036   0.090     0.980   95.238   92.593
LGA    E    24_A      E    24_A     0.285     4    0.033   0.031     0.412  100.000   55.556
LGA    E    25_A      E    25_A     0.359     0    0.072   0.416     1.466  100.000   94.762
LGA    F    26_A      F    26_A     0.181     0    0.060   0.070     0.331  100.000  100.000
LGA    H    27_A      H    27_A     0.443     0    0.054   0.065     0.818   97.619   93.333
LGA    K    28_A      K    28_A     0.605     0    0.029   0.833     3.344   90.476   80.476
LGA    L    29_A      L    29_A     0.478     0    0.019   1.385     3.030   97.619   82.619
LGA    A    30_A      A    30_A     0.359     0    0.029   0.036     0.430  100.000  100.000
LGA    N    31_A      N    31_A     0.496     0    0.038   0.165     0.689  100.000   95.238
LGA    F    32_A      F    32_A     0.388     0    0.028   0.328     1.354  100.000   91.515
LGA    T    33_A      T    33_A     0.484     0    0.026   0.035     0.680  100.000   95.918
LGA    I    34_A      I    34_A     0.458     0    0.031   0.067     0.549  100.000   98.810
LGA    N    35_A      N    35_A     0.412     0    0.019   0.876     3.892  100.000   81.964
LGA    H    36_A      H    36_A     0.334     0    0.014   0.108     0.692  100.000   96.190
LGA    L    37_A      L    37_A     0.328     0    0.022   0.060     0.406  100.000  100.000
LGA    L    38_A      L    38_A     0.193     0    0.108   0.124     0.418  100.000  100.000
LGA    E    39_A      E    39_A     0.280     0    0.046   0.297     1.533  100.000   93.810
LGA    K    40_A      K    40_A     0.460     0    0.026   0.547     1.685  100.000   92.804
LGA    I    41_A      I    41_A     0.347     0    0.058   0.137     0.572  100.000   98.810
LGA    E    42_A      E    42_A     0.416     0    0.097   0.656     2.580  100.000   87.143
LGA    D    43_A      D    43_A     0.745     0    0.021   0.139     1.154   90.476   89.345
LGA    Y    44_A      Y    44_A     0.659     0    0.022   0.140     0.787   90.476   92.063
LGA    G    45_A      G    45_A     0.691     0    0.093   0.093     0.691   90.476   90.476
LGA    D    46_A      D    46_A     0.517     0    0.032   0.123     0.690   95.238   92.857
LGA    N    47_A      N    47_A     0.497     0    0.066   0.379     0.895   95.238   94.048
LGA    V    48_A      V    48_A     0.852     0    0.138   0.905     3.285   92.857   80.000
LGA    Q    49_A      Q    49_A     0.848     0    0.141   0.997     5.883   92.857   69.048
LGA    I    50_A      I    50_A     0.374     0    0.035   0.626     1.842   97.619   94.226
LGA    D    51_A      D    51_A     0.190     0    0.049   0.804     3.235  100.000   83.095
LGA    G    52_A      G    52_A     0.317     0    0.017   0.017     0.604   97.619   97.619
LGA    F    53_A      F    53_A     0.464     0    0.038   0.052     0.532   95.238   98.268
LGA    D    54_A      D    54_A     0.255     0    0.086   0.210     0.785   97.619   97.619
LGA    I    55_A      I    55_A     0.167     0    0.061   0.065     0.380  100.000  100.000
LGA    D    56_A      D    56_A     0.685     0    0.103   0.313     1.835   95.238   85.119
LGA    Y    57_A      Y    57_A     0.386     0    0.165   0.325     1.759   92.976   88.452
LGA    G    58_A      G    58_A     0.323     0    0.041   0.041     0.731   97.619   97.619
LGA    N    59_A      N    59_A     0.457     0    0.022   1.003     2.266   95.238   88.631
LGA    E    60_A      E    60_A     0.575     0    0.025   0.140     0.743   90.476   90.476
LGA    V    61_A      V    61_A     0.335     0    0.076   1.115     2.514  100.000   88.844
LGA    L    62_A      L    62_A     0.306     0    0.036   0.126     0.422  100.000  100.000
LGA    T    63_A      T    63_A     0.340     0    0.031   0.189     1.025  100.000   97.347
LGA    L    64_A      L    64_A     0.321     0    0.031   0.070     0.405  100.000  100.000
LGA    K    65_A      K    65_A     0.510     0    0.057   0.993     4.071   92.857   83.810
LGA    L    66_A      L    66_A     0.372     0    0.042   0.164     0.529  100.000   98.810
LGA    G    67_A      G    67_A     0.345     0    0.076   0.076     0.465  100.000  100.000
LGA    S    68_A      S    68_A     0.782     0    0.065   0.596     3.072   90.476   83.730
LGA    L    69_A      L    69_A     0.838     0    0.033   0.085     1.004   88.214   89.345
LGA    G    70_A      G    70_A     0.546     0    0.052   0.052     0.684   95.238   95.238
LGA    T    71_A      T    71_A     0.378     0    0.017   0.050     0.433  100.000  100.000
LGA    Y    72_A      Y    72_A     0.291     0    0.026   0.094     0.527  100.000   99.206
LGA    V    73_A      V    73_A     0.231     0    0.037   0.043     0.248  100.000  100.000
LGA    L    74_A      L    74_A     0.473     0    0.049   0.223     0.804   97.619   95.238
LGA    N    75_A      N    75_A     0.372     0    0.051   0.998     2.181  100.000   92.202
LGA    K    76_A      K    76_A     0.551     0    0.019   0.770     1.860   90.476   84.550
LGA    Q    77_A      Q    77_A     0.612     0    0.061   1.056     3.557   95.238   82.434
LGA    T    78_A      T    78_A     0.276     0    0.055   0.078     0.465  100.000  100.000
LGA    P    79_A      P    79_A     0.216     0    0.017   0.057     0.427  100.000  100.000
LGA    N    80_A      N    80_A     0.298     0    0.042   0.273     0.768  100.000   97.619
LGA    R    81_A      R    81_A     0.384     0    0.030   0.938     3.695  100.000   76.926
LGA    Q    82_A      Q    82_A     0.357     0    0.018   0.186     0.484  100.000  100.000
LGA    I    83_A      I    83_A     0.375     0    0.013   0.058     0.514  100.000   98.810
LGA    W    84_A      W    84_A     0.324     0    0.029   0.107     0.494  100.000  100.000
LGA    M    85_A      M    85_A     0.380     0    0.035   0.258     1.160  100.000   97.679
LGA    S    86_A      S    86_A     0.105     0    0.067   0.088     0.198  100.000  100.000
LGA    S    87_A      S    87_A     0.372     0    0.017   0.054     0.521   97.619   98.413
LGA    P    88_A      P    88_A     0.240     0    0.020   0.059     0.393  100.000  100.000
LGA    V    89_A      V    89_A     0.206     0    0.052   0.146     0.400  100.000  100.000
LGA    S    90_A      S    90_A     0.284     0    0.053   0.071     0.301  100.000  100.000
LGA    G    91_A      G    91_A     0.161     0    0.056   0.056     0.329  100.000  100.000
LGA    P    92_A      P    92_A     0.375     0    0.119   0.134     0.917   97.619   94.558
LGA    S    93_A      S    93_A     0.497     0    0.039   0.645     1.812  100.000   93.889
LGA    R    94_A      R    94_A     0.243     0    0.113   0.269     1.599   97.619   91.558
LGA    F    95_A      F    95_A     0.255     0    0.031   0.091     0.410  100.000  100.000
LGA    D    96_A      D    96_A     0.408     0    0.040   0.230     0.705  100.000   97.619
LGA    W    97_A      W    97_A     0.477     0    0.030   0.098     0.670  100.000   93.878
LGA    D    98_A      D    98_A     0.470     0    0.016   0.051     0.773   92.857   96.429
LGA    R    99_A      R    99_A     0.846     0    0.044   0.713     1.975   88.214   82.381
LGA    D   100_A      D   100_A     0.478     0    0.045   0.216     1.069   95.238   92.917
LGA    A   101_A      A   101_A     0.496     0    0.068   0.065     0.825   95.238   96.190
LGA    N   102_A      N   102_A     0.412     0    0.025   1.337     4.241   97.619   77.738
LGA    A   103_A      A   103_A     0.350     0    0.083   0.103     0.440  100.000  100.000
LGA    W   104_A      W   104_A     0.362     0    0.076   0.135     0.603   97.619   95.238
LGA    I   105_A      I   105_A     0.130     0    0.036   0.047     0.208  100.000  100.000
LGA    Y   106_A      Y   106_A     0.189     0    0.032   0.048     0.479  100.000  100.000
LGA    R   107_A      R   107_A     0.554     0    0.046   1.092     6.202   92.857   71.775
LGA    R   108_A      R   108_A     0.478     0    0.017   0.647     2.297  100.000   82.987
LGA    T   109_A      T   109_A     0.603     0    0.046   0.058     0.826   92.857   91.837
LGA    E   110_A      E   110_A     0.397     0    0.024   0.756     3.342  100.000   83.915
LGA    A   111_A      A   111_A     0.613     0    0.012   0.022     0.770   97.619   96.190
LGA    K   112_A      K   112_A     0.517     0    0.038   0.141     0.962   92.857   91.534
LGA    L   113_A      L   113_A     0.538     0    0.028   0.042     0.603   95.238   95.238
LGA    H   114_A      H   114_A     0.331     0    0.107   1.118     5.672   95.238   68.667
LGA    K   115_A      K   115_A     0.561     0    0.044   0.844     4.961   92.857   71.005
LGA    L   116_A      L   116_A     0.586     0    0.010   0.062     0.942   90.476   90.476
LGA    L   117_A      L   117_A     0.416     0    0.049   1.286     2.631   97.619   85.774
LGA    E   118_A      E   118_A     0.434     0    0.064   0.228     1.060   97.619   94.762
LGA    E   119_A      E   119_A     0.358     0    0.008   1.181     4.943  100.000   78.254
LGA    E   120_A      E   120_A     0.437     0    0.015   0.062     0.517  100.000   98.942
LGA    L   121_A      L   121_A     0.338     0    0.078   0.084     0.436  100.000  100.000
LGA    E   122_A      E   122_A     0.328     0    0.048   0.245     1.113  100.000   96.878
LGA    N   123_A      N   123_A     0.331     0    0.024   0.304     0.887  100.000   97.619
LGA    L   124_A      L   124_A     0.179     0    0.022   0.096     0.319  100.000  100.000
LGA    C   125_A      C   125_A     0.395     0    0.061   0.080     0.733  100.000   96.825
LGA    G   126_A      G   126_A     0.262     0    0.012   0.012     0.304  100.000  100.000
LGA    E   127_A      E   127_A     0.430     0    0.042   0.377     1.226  100.000   93.704
LGA    P   128_A      P   128_A     0.442     0    0.065   0.081     0.543  100.000   97.279
LGA    I   129_A      I   129_A     0.563     0    0.028   0.037     0.653   92.857   91.667
LGA    Q   130_A      Q   130_A     0.412     0    0.031   1.091     3.759  100.000   84.233
LGA    L   131_A      L   131_A     0.464     0    0.114   0.115     0.864   95.238   92.857
LGA    S   132_A      S   132_A     0.802     0    0.384   0.345     1.468   90.595   87.540

# 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):     3.594          3.520                  3.653           89.538   84.751

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    0.63    92.683    92.722    15.723

LGA_LOCAL      RMSD:   0.625  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.959  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.594  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.643191 * X  +   0.646525 * Y  +   0.410257 * Z  +  -9.083334
  Y_new =  -0.713873 * X  +   0.312538 * Y  +   0.626662 * Z  + -31.070518
  Z_new =   0.276931 * X  +  -0.695935 * Y  +   0.662558 * Z  +   9.739116 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.837435 -0.280599 -0.809962   [DEG:  -47.9815  -16.0771  -46.4074 ]
ZXZ:  2.561941  0.846567  2.762875   [DEG:  146.7884   48.5047  158.3011 ]
 
# END of job
