
#######################################################
#                                                     #
#                        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       4.63     4.63
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      15_A - 132_A       1.91     4.94
  LCS_AVERAGE:     92.23

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      18_A - 132_A       0.98     5.15
  LCS_AVERAGE:     87.61

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    5    5    5    6    7    8   10   12   15   15   17   20   26   27   31   34   37   49   58 
LCS_GDT     S    11_A     S    11_A      3    4  123      3    3    5    5    7   10   11   13   17   19   22   31   36   42   45   49   54   63   79   89 
LCS_GDT     S    12_A     S    12_A      3    7  123      3    4    5    5    7   10   11   13   17   19   22   26   36   42   45   49   57   74   87   91 
LCS_GDT     G    13_A     G    13_A      4    7  123      3    4    5    6    7   10   11   13   17   19   22   26   33   42   45   47   53   61   79   89 
LCS_GDT     L    14_A     L    14_A      4    7  123      3    4    5    6    7    7    8   12   17   20   32   38   50   64   74   89  101  106  114  117 
LCS_GDT     V    15_A     V    15_A      4  118  123      3    4    5   11   22   29   31   35   51   72   84   93  106  113  118  118  118  118  118  118 
LCS_GDT     P    16_A     P    16_A      4  118  123      3    4    5   31   42   55   72   85  106  112  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     R    17_A     R    17_A      4  118  123      3    5    5    7   16   41   64   85  106  112  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     G    18_A     G    18_A    115  118  123      3    5    5    6    7    8    9   12   30   67  106  115  117  117  118  118  118  118  118  118 
LCS_GDT     S    19_A     S    19_A    115  118  123      3   26  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     H    20_A     H    20_A    115  118  123      6   24   64  102  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     M    21_A     M    21_A    115  118  123     24   99  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     Q    22_A     Q    22_A    115  118  123     31  108  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E    23_A     E    23_A    115  118  123     68  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E    24_A     E    24_A    115  118  123     75  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E    25_A     E    25_A    115  118  123     75  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     F    26_A     F    26_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     H    27_A     H    27_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     K    28_A     K    28_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L    29_A     L    29_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     A    30_A     A    30_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     N    31_A     N    31_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     F    32_A     F    32_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     T    33_A     T    33_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     I    34_A     I    34_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     N    35_A     N    35_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     H    36_A     H    36_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L    37_A     L    37_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L    38_A     L    38_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E    39_A     E    39_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     K    40_A     K    40_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     I    41_A     I    41_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E    42_A     E    42_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     D    43_A     D    43_A    115  118  123     81  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     Y    44_A     Y    44_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     G    45_A     G    45_A    115  118  123     79  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     D    46_A     D    46_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     N    47_A     N    47_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     V    48_A     V    48_A    115  118  123     10  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     Q    49_A     Q    49_A    115  118  123     44  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     I    50_A     I    50_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     D    51_A     D    51_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     G    52_A     G    52_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     F    53_A     F    53_A    115  118  123     80  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     D    54_A     D    54_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     I    55_A     I    55_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     D    56_A     D    56_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     Y    57_A     Y    57_A    115  118  123     71  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     G    58_A     G    58_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     N    59_A     N    59_A    115  118  123     72  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E    60_A     E    60_A    115  118  123     68  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     V    61_A     V    61_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L    62_A     L    62_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     T    63_A     T    63_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L    64_A     L    64_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     K    65_A     K    65_A    115  118  123     67  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L    66_A     L    66_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     G    67_A     G    67_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     S    68_A     S    68_A    115  118  123     61  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L    69_A     L    69_A    115  118  123     41  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     G    70_A     G    70_A    115  118  123     61  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     T    71_A     T    71_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     Y    72_A     Y    72_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     V    73_A     V    73_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L    74_A     L    74_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     N    75_A     N    75_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     K    76_A     K    76_A    115  118  123     81  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     Q    77_A     Q    77_A    115  118  123     72  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     T    78_A     T    78_A    115  118  123     81  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     P    79_A     P    79_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     N    80_A     N    80_A    115  118  123     81  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     R    81_A     R    81_A    115  118  123     75  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     Q    82_A     Q    82_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     I    83_A     I    83_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     W    84_A     W    84_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     M    85_A     M    85_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     S    86_A     S    86_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     S    87_A     S    87_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     P    88_A     P    88_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     V    89_A     V    89_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     S    90_A     S    90_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     G    91_A     G    91_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     P    92_A     P    92_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     S    93_A     S    93_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     R    94_A     R    94_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     F    95_A     F    95_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     D    96_A     D    96_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     W    97_A     W    97_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     D    98_A     D    98_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     R    99_A     R    99_A    115  118  123     13  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     D   100_A     D   100_A    115  118  123     66  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     A   101_A     A   101_A    115  118  123     68  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     N   102_A     N   102_A    115  118  123     66  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     A   103_A     A   103_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     W   104_A     W   104_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     I   105_A     I   105_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     Y   106_A     Y   106_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     R   107_A     R   107_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     R   108_A     R   108_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     T   109_A     T   109_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E   110_A     E   110_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     A   111_A     A   111_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     K   112_A     K   112_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L   113_A     L   113_A    115  118  123     77  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     H   114_A     H   114_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     K   115_A     K   115_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L   116_A     L   116_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L   117_A     L   117_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E   118_A     E   118_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E   119_A     E   119_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E   120_A     E   120_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L   121_A     L   121_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E   122_A     E   122_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     N   123_A     N   123_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L   124_A     L   124_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     C   125_A     C   125_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     G   126_A     G   126_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     E   127_A     E   127_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     P   128_A     P   128_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     I   129_A     I   129_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     Q   130_A     Q   130_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     L   131_A     L   131_A    115  118  123     82  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_GDT     S   132_A     S   132_A    115  118  123     67  110  112  113  114  114  114  114  114  114  116  116  117  117  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  93.28  (  87.61   92.23  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     82    110    112    113    114    114    114    114    114    114    116    116    117    117    118    118    118    118    118    118 
GDT PERCENT_AT  66.67  89.43  91.06  91.87  92.68  92.68  92.68  92.68  92.68  92.68  94.31  94.31  95.12  95.12  95.93  95.93  95.93  95.93  95.93  95.93
GDT RMS_LOCAL    0.35   0.46   0.50   0.53   0.64   0.64   0.64   0.64   0.64   0.64   1.36   1.36   1.53   1.53   1.91   1.91   1.91   1.91   1.91   1.91
GDT RMS_ALL_AT   5.26   5.22   5.21   5.20   5.17   5.17   5.17   5.17   5.17   5.17   5.04   5.04   5.02   5.02   4.94   4.94   4.94   4.94   4.94   4.94

# 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    28.470     0    0.454   1.006    36.729    0.000    0.000
LGA    S    11_A      S    11_A    24.878     0    0.581   0.555    25.662    0.000    0.000
LGA    S    12_A      S    12_A    23.907     0    0.141   0.586    24.260    0.000    0.000
LGA    G    13_A      G    13_A    21.872     0    0.477   0.477    22.776    0.000    0.000
LGA    L    14_A      L    14_A    18.380     3    0.100   0.106    19.857    0.000    0.000
LGA    V    15_A      V    15_A    13.557     0    0.035   0.046    16.356    0.000    0.000
LGA    P    16_A      P    16_A     9.761     0    0.099   0.314    10.559    1.190    1.293
LGA    R    17_A      R    17_A     9.252     6    0.690   0.622    10.208    1.190    0.563
LGA    G    18_A      G    18_A     8.068     0    0.135   0.135     8.068   12.619   12.619
LGA    S    19_A      S    19_A     1.536     0    0.482   0.468     3.473   65.357   66.508
LGA    H    20_A      H    20_A     3.899     5    0.485   0.456     6.323   48.452   21.095
LGA    M    21_A      M    21_A     1.681     0    0.012   0.199     2.274   70.833   78.393
LGA    Q    22_A      Q    22_A     1.305     0    0.068   1.297     4.334   85.952   73.016
LGA    E    23_A      E    23_A     0.606     0    0.068   0.221     1.360   95.238   89.577
LGA    E    24_A      E    24_A     0.501     4    0.031   0.029     0.639   92.857   51.323
LGA    E    25_A      E    25_A     0.460     0    0.080   0.238     0.609   97.619   96.825
LGA    F    26_A      F    26_A     0.179     0    0.058   0.073     0.326  100.000  100.000
LGA    H    27_A      H    27_A     0.350     0    0.059   0.162     0.896   97.619   96.190
LGA    K    28_A      K    28_A     0.545     0    0.026   0.833     3.216   97.619   84.656
LGA    L    29_A      L    29_A     0.419     0    0.015   1.387     3.096  100.000   83.095
LGA    A    30_A      A    30_A     0.321     0    0.010   0.019     0.457  100.000  100.000
LGA    N    31_A      N    31_A     0.438     0    0.033   0.124     0.562   97.619   97.619
LGA    F    32_A      F    32_A     0.409     0    0.037   0.308     1.594   97.619   88.268
LGA    T    33_A      T    33_A     0.640     0    0.033   0.069     0.963   90.476   90.476
LGA    I    34_A      I    34_A     0.588     0    0.041   0.619     2.210   92.857   88.452
LGA    N    35_A      N    35_A     0.503     0    0.020   0.883     3.790   95.238   78.690
LGA    H    36_A      H    36_A     0.458     0    0.010   0.043     0.505   97.619   98.095
LGA    L    37_A      L    37_A     0.455     0    0.026   0.071     0.645  100.000   96.429
LGA    L    38_A      L    38_A     0.258     0    0.119   0.133     0.423  100.000  100.000
LGA    E    39_A      E    39_A     0.244     0    0.047   0.317     2.045  100.000   91.905
LGA    K    40_A      K    40_A     0.419     0    0.032   0.604     2.397  100.000   92.011
LGA    I    41_A      I    41_A     0.290     0    0.054   0.139     0.386  100.000  100.000
LGA    E    42_A      E    42_A     0.310     0    0.098   0.643     2.391  100.000   87.989
LGA    D    43_A      D    43_A     0.676     0    0.019   0.145     1.237   92.857   90.536
LGA    Y    44_A      Y    44_A     0.607     0    0.033   0.136     0.748   90.476   92.063
LGA    G    45_A      G    45_A     0.641     0    0.107   0.107     0.641   90.476   90.476
LGA    D    46_A      D    46_A     0.547     0    0.028   0.128     0.731   92.857   91.667
LGA    N    47_A      N    47_A     0.488     0    0.071   0.396     0.950   95.238   95.238
LGA    V    48_A      V    48_A     0.873     0    0.161   0.925     3.204   90.476   78.639
LGA    Q    49_A      Q    49_A     0.817     0    0.172   1.082     6.131   95.238   69.630
LGA    I    50_A      I    50_A     0.405     0    0.051   0.082     0.658   97.619   95.238
LGA    D    51_A      D    51_A     0.384     0    0.066   0.826     3.475   97.619   81.905
LGA    G    52_A      G    52_A     0.338     0    0.014   0.014     0.560   97.619   97.619
LGA    F    53_A      F    53_A     0.506     0    0.024   0.062     0.633   92.857   91.342
LGA    D    54_A      D    54_A     0.458     0    0.107   0.200     0.886   97.619   97.619
LGA    I    55_A      I    55_A     0.243     0    0.059   0.062     0.479  100.000  100.000
LGA    D    56_A      D    56_A     0.471     0    0.082   0.330     1.608  100.000   90.774
LGA    Y    57_A      Y    57_A     0.493     0    0.156   0.296     1.400   92.976   91.389
LGA    G    58_A      G    58_A     0.361     0    0.036   0.036     0.721   95.238   95.238
LGA    N    59_A      N    59_A     0.486     0    0.024   1.007     2.183   95.238   87.619
LGA    E    60_A      E    60_A     0.531     0    0.029   0.257     1.210   92.857   90.529
LGA    V    61_A      V    61_A     0.202     0    0.086   1.115     2.490  100.000   89.932
LGA    L    62_A      L    62_A     0.238     0    0.032   0.112     0.397  100.000  100.000
LGA    T    63_A      T    63_A     0.385     0    0.027   0.174     0.999  100.000   97.279
LGA    L    64_A      L    64_A     0.409     0    0.037   0.070     0.509  100.000   97.619
LGA    K    65_A      K    65_A     0.565     0    0.064   0.987     4.180   90.476   80.688
LGA    L    66_A      L    66_A     0.417     0    0.029   0.162     0.601  100.000   98.810
LGA    G    67_A      G    67_A     0.311     0    0.082   0.082     0.521   97.619   97.619
LGA    S    68_A      S    68_A     0.887     0    0.077   0.600     3.261   90.476   82.222
LGA    L    69_A      L    69_A     0.999     0    0.029   0.083     1.171   85.952   88.214
LGA    G    70_A      G    70_A     0.726     0    0.053   0.053     0.856   92.857   92.857
LGA    T    71_A      T    71_A     0.466     0    0.018   0.043     0.564   97.619   97.279
LGA    Y    72_A      Y    72_A     0.283     0    0.020   0.096     0.426  100.000  100.000
LGA    V    73_A      V    73_A     0.113     0    0.050   0.059     0.299  100.000  100.000
LGA    L    74_A      L    74_A     0.341     0    0.032   0.166     0.568  100.000   98.810
LGA    N    75_A      N    75_A     0.291     0    0.048   1.080     2.579  100.000   91.250
LGA    K    76_A      K    76_A     0.362     0    0.022   0.210     0.727  100.000   95.767
LGA    Q    77_A      Q    77_A     0.464     0    0.084   1.057     3.796  100.000   85.503
LGA    T    78_A      T    78_A     0.250     0    0.057   0.065     0.384  100.000  100.000
LGA    P    79_A      P    79_A     0.167     0    0.018   0.044     0.326  100.000  100.000
LGA    N    80_A      N    80_A     0.252     0    0.019   0.307     0.802  100.000   97.619
LGA    R    81_A      R    81_A     0.389     0    0.013   1.043     3.035  100.000   80.476
LGA    Q    82_A      Q    82_A     0.253     0    0.017   0.201     0.752  100.000   98.942
LGA    I    83_A      I    83_A     0.246     0    0.015   0.058     0.444  100.000  100.000
LGA    W    84_A      W    84_A     0.189     0    0.042   0.099     0.405  100.000  100.000
LGA    M    85_A      M    85_A     0.189     0    0.029   0.248     1.131  100.000   97.679
LGA    S    86_A      S    86_A     0.106     0    0.026   0.044     0.392  100.000  100.000
LGA    S    87_A      S    87_A     0.287     0    0.015   0.045     0.387  100.000  100.000
LGA    P    88_A      P    88_A     0.094     0    0.023   0.057     0.260  100.000  100.000
LGA    V    89_A      V    89_A     0.134     0    0.058   0.140     0.314  100.000  100.000
LGA    S    90_A      S    90_A     0.392     0    0.050   0.082     0.481  100.000  100.000
LGA    G    91_A      G    91_A     0.172     0    0.052   0.052     0.269  100.000  100.000
LGA    P    92_A      P    92_A     0.428     0    0.102   0.113     0.885   97.619   94.558
LGA    S    93_A      S    93_A     0.429     0    0.034   0.640     1.905  100.000   95.476
LGA    R    94_A      R    94_A     0.490     0    0.043   0.677     2.845   97.619   81.342
LGA    F    95_A      F    95_A     0.379     0    0.026   0.087     0.608  100.000   97.403
LGA    D    96_A      D    96_A     0.543     0    0.057   0.161     0.700   90.476   90.476
LGA    W    97_A      W    97_A     0.605     0    0.012   0.101     0.792   90.476   90.476
LGA    D    98_A      D    98_A     0.524     0    0.029   0.100     0.804   90.476   90.476
LGA    R    99_A      R    99_A     0.908     0    0.051   0.894     2.313   88.214   81.645
LGA    D   100_A      D   100_A     0.605     0    0.038   0.298     1.196   90.476   89.345
LGA    A   101_A      A   101_A     0.607     0    0.068   0.065     0.985   90.476   90.476
LGA    N   102_A      N   102_A     0.593     0    0.020   1.340     4.505   90.476   72.262
LGA    A   103_A      A   103_A     0.546     0    0.086   0.108     0.599   92.857   92.381
LGA    W   104_A      W   104_A     0.557     0    0.066   0.130     0.776   90.476   90.476
LGA    I   105_A      I   105_A     0.314     0    0.041   0.060     0.368  100.000  100.000
LGA    Y   106_A      Y   106_A     0.305     0    0.045   0.102     0.574  100.000   99.206
LGA    R   107_A      R   107_A     0.633     0    0.049   0.467     1.055   92.857   90.519
LGA    R   108_A      R   108_A     0.520     0    0.013   1.118     4.807   97.619   70.779
LGA    T   109_A      T   109_A     0.462     0    0.052   0.069     0.624   97.619   97.279
LGA    E   110_A      E   110_A     0.329     0    0.035   0.772     3.559   97.619   82.328
LGA    A   111_A      A   111_A     0.603     0    0.012   0.022     0.721   95.238   94.286
LGA    K   112_A      K   112_A     0.636     0    0.044   0.171     0.976   92.857   91.534
LGA    L   113_A      L   113_A     0.685     0    0.021   0.042     0.754   90.476   90.476
LGA    H   114_A      H   114_A     0.402     0    0.082   1.104     5.857   92.857   65.952
LGA    K   115_A      K   115_A     0.556     0    0.056   0.875     4.845   92.857   79.259
LGA    L   116_A      L   116_A     0.582     0    0.009   0.065     0.984   90.476   90.476
LGA    L   117_A      L   117_A     0.324     0    0.056   0.060     0.418  100.000  100.000
LGA    E   118_A      E   118_A     0.306     0    0.062   0.185     0.791   97.619   95.767
LGA    E   119_A      E   119_A     0.280     0    0.019   1.235     5.256  100.000   77.672
LGA    E   120_A      E   120_A     0.360     0    0.017   0.079     0.496  100.000  100.000
LGA    L   121_A      L   121_A     0.351     0    0.061   0.082     0.463  100.000  100.000
LGA    E   122_A      E   122_A     0.413     0    0.054   0.199     0.934  100.000   97.884
LGA    N   123_A      N   123_A     0.376     0    0.024   0.289     0.979  100.000   98.810
LGA    L   124_A      L   124_A     0.225     0    0.011   0.103     0.378  100.000  100.000
LGA    C   125_A      C   125_A     0.375     0    0.043   0.060     0.471  100.000  100.000
LGA    G   126_A      G   126_A     0.276     0    0.054   0.054     0.298  100.000  100.000
LGA    E   127_A      E   127_A     0.459     0    0.036   0.374     1.286  100.000   93.704
LGA    P   128_A      P   128_A     0.513     0    0.066   0.081     0.621   90.476   90.476
LGA    I   129_A      I   129_A     0.598     0    0.027   0.040     0.650   90.476   90.476
LGA    Q   130_A      Q   130_A     0.585     0    0.046   1.129     4.094   90.476   74.921
LGA    L   131_A      L   131_A     0.639     0    0.050   0.081     0.763   90.476   90.476
LGA    S   132_A      S   132_A     0.820     0    0.528   0.523     2.056   88.452   81.905

# 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):     4.627          4.541                  4.592           88.604   84.245

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    0.64    92.480    92.608    15.368

LGA_LOCAL      RMSD:   0.642  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.175  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   4.627  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.328861 * X  +   0.589370 * Y  +  -0.737898 * Z  +  -5.106921
  Y_new =  -0.867417 * X  +   0.497466 * Y  +   0.010749 * Z  + -27.231205
  Z_new =   0.373415 * X  +   0.636530 * Y  +   0.674826 * Z  +  11.274447 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.208413 -0.382687  0.756203   [DEG:  -69.2369  -21.9264   43.3272 ]
ZXZ: -1.585363  0.830067  0.530539   [DEG:  -90.8346   47.5593   30.3976 ]
 
# END of job
