
#######################################################
#                                                     #
#                        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       4.25     4.25
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      15_A - 132_A       1.62     4.50
  LCS_AVERAGE:     92.24

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      18_A - 132_A       0.97     4.64
  LCS_AVERAGE:     87.64

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     H    10_A     H    10_A      3    5  123      3    3    3    4    6    7   10   12   13   13   14   14   17   20   23   25   28   39   43   47 
LCS_GDT     S    11_A     S    11_A      3    5  123      3    3    4    7    8    8   11   12   21   25   29   33   36   46   54   57   65   73   83   90 
LCS_GDT     S    12_A     S    12_A      3    7  123      3    3    4    7    8    8   11   12   21   25   29   33   39   49   57   60   71   81   94  100 
LCS_GDT     G    13_A     G    13_A      5    7  123      3    3    5    7    8    8   11   15   21   25   32   35   46   54   63   72   81   93  103  116 
LCS_GDT     L    14_A     L    14_A      5    7  123      3    4    5    6    7    8   11   12   13   18   35   44   61   71   91  106  114  119  119  119 
LCS_GDT     V    15_A     V    15_A      5  118  123      3    5   11   16   25   32   44   69   90  103  110  116  117  118  118  118  118  119  119  119 
LCS_GDT     P    16_A     P    16_A      5  118  123      3    4    5    6   46   78  102  110  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     R    17_A     R    17_A      5  118  123      4    4    5   20   42   71  100  111  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     G    18_A     G    18_A    115  118  123      4    4    5    6    7    8   11   12   26   64  102  117  117  118  118  118  118  119  119  119 
LCS_GDT     S    19_A     S    19_A    115  118  123      4    4    4  113  113  113  114  114  114  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     H    20_A     H    20_A    115  118  123      7   32   92  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     M    21_A     M    21_A    115  118  123     27  108  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     Q    22_A     Q    22_A    115  118  123     46  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E    23_A     E    23_A    115  118  123     71  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E    24_A     E    24_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E    25_A     E    25_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     F    26_A     F    26_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     H    27_A     H    27_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     K    28_A     K    28_A    115  118  123     75  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L    29_A     L    29_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     A    30_A     A    30_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     N    31_A     N    31_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     F    32_A     F    32_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     T    33_A     T    33_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     I    34_A     I    34_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     N    35_A     N    35_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     H    36_A     H    36_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L    37_A     L    37_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L    38_A     L    38_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E    39_A     E    39_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     K    40_A     K    40_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     I    41_A     I    41_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E    42_A     E    42_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     D    43_A     D    43_A    115  118  123     81  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     Y    44_A     Y    44_A    115  118  123     81  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     G    45_A     G    45_A    115  118  123     77  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     D    46_A     D    46_A    115  118  123     82  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     N    47_A     N    47_A    115  118  123     77  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     V    48_A     V    48_A    115  118  123     16  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     Q    49_A     Q    49_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     I    50_A     I    50_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     D    51_A     D    51_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     G    52_A     G    52_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     F    53_A     F    53_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     D    54_A     D    54_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     I    55_A     I    55_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     D    56_A     D    56_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     Y    57_A     Y    57_A    115  118  123     76  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     G    58_A     G    58_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     N    59_A     N    59_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E    60_A     E    60_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     V    61_A     V    61_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L    62_A     L    62_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     T    63_A     T    63_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L    64_A     L    64_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     K    65_A     K    65_A    115  118  123     75  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L    66_A     L    66_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     G    67_A     G    67_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     S    68_A     S    68_A    115  118  123     46  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L    69_A     L    69_A    115  118  123     46  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     G    70_A     G    70_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     T    71_A     T    71_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     Y    72_A     Y    72_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     V    73_A     V    73_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L    74_A     L    74_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     N    75_A     N    75_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     K    76_A     K    76_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     Q    77_A     Q    77_A    115  118  123     69  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     T    78_A     T    78_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     P    79_A     P    79_A    115  118  123     82  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     N    80_A     N    80_A    115  118  123     76  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     R    81_A     R    81_A    115  118  123     81  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     Q    82_A     Q    82_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     I    83_A     I    83_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     W    84_A     W    84_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     M    85_A     M    85_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     S    86_A     S    86_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     S    87_A     S    87_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     P    88_A     P    88_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     V    89_A     V    89_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     S    90_A     S    90_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     G    91_A     G    91_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     P    92_A     P    92_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     S    93_A     S    93_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     R    94_A     R    94_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     F    95_A     F    95_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     D    96_A     D    96_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     W    97_A     W    97_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     D    98_A     D    98_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     R    99_A     R    99_A    115  118  123     33  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     D   100_A     D   100_A    115  118  123     80  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     A   101_A     A   101_A    115  118  123     80  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     N   102_A     N   102_A    115  118  123     80  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     A   103_A     A   103_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     W   104_A     W   104_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     I   105_A     I   105_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     Y   106_A     Y   106_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     R   107_A     R   107_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     R   108_A     R   108_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     T   109_A     T   109_A    115  118  123     72  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E   110_A     E   110_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     A   111_A     A   111_A    115  118  123     55  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     K   112_A     K   112_A    115  118  123     75  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L   113_A     L   113_A    115  118  123     75  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     H   114_A     H   114_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     K   115_A     K   115_A    115  118  123     57  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L   116_A     L   116_A    115  118  123     57  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L   117_A     L   117_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E   118_A     E   118_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E   119_A     E   119_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E   120_A     E   120_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L   121_A     L   121_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E   122_A     E   122_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     N   123_A     N   123_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L   124_A     L   124_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     C   125_A     C   125_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     G   126_A     G   126_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     E   127_A     E   127_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     P   128_A     P   128_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     I   129_A     I   129_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     Q   130_A     Q   130_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     L   131_A     L   131_A    115  118  123     83  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_GDT     S   132_A     S   132_A    115  118  123     21  111  112  113  113  113  114  114  115  116  116  117  117  118  118  118  118  119  119  119 
LCS_AVERAGE  LCS_A:  93.29  (  87.64   92.24  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     83    111    112    113    113    113    114    114    115    116    116    117    117    118    118    118    118    119    119    119 
GDT PERCENT_AT  67.48  90.24  91.06  91.87  91.87  91.87  92.68  92.68  93.50  94.31  94.31  95.12  95.12  95.93  95.93  95.93  95.93  96.75  96.75  96.75
GDT RMS_LOCAL    0.35   0.46   0.48   0.55   0.57   0.55   0.64   0.64   1.10   1.14   1.14   1.33   1.33   1.62   1.62   1.62   1.62   2.12   2.12   2.12
GDT RMS_ALL_AT   4.69   4.67   4.66   4.67   4.64   4.67   4.65   4.65   4.55   4.56   4.56   4.56   4.56   4.50   4.50   4.50   4.50   4.43   4.43   4.43

# 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    27.689     0    0.359   0.851    35.650    0.000    0.000
LGA    S    11_A      S    11_A    22.951     0    0.579   0.665    24.123    0.000    0.000
LGA    S    12_A      S    12_A    21.040     0    0.186   0.576    21.890    0.000    0.000
LGA    G    13_A      G    13_A    18.227     0    0.465   0.465    19.142    0.000    0.000
LGA    L    14_A      L    14_A    16.049     3    0.045   0.054    17.175    0.000    0.000
LGA    V    15_A      V    15_A    10.669     0    0.018   0.037    13.574    0.476    0.272
LGA    P    16_A      P    16_A     7.660     0    0.151   0.307     7.924    9.405    9.728
LGA    R    17_A      R    17_A     7.283     6    0.707   0.642     8.312    7.976    3.550
LGA    G    18_A      G    18_A     7.862     0    0.048   0.048     7.862   12.738   12.738
LGA    S    19_A      S    19_A     2.924     0    0.394   0.341     3.784   59.762   56.587
LGA    H    20_A      H    20_A     3.342     5    0.565   0.511     5.967   55.476   24.333
LGA    M    21_A      M    21_A     1.491     0    0.011   0.222     1.944   79.286   81.548
LGA    Q    22_A      Q    22_A     1.073     0    0.035   0.973     4.041   85.952   73.016
LGA    E    23_A      E    23_A     0.577     0    0.061   0.200     1.491   92.857   88.519
LGA    E    24_A      E    24_A     0.435     4    0.026   0.024     0.582  100.000   54.497
LGA    E    25_A      E    25_A     0.379     0    0.072   0.141     0.735  100.000   97.884
LGA    F    26_A      F    26_A     0.213     0    0.054   0.080     0.354  100.000  100.000
LGA    H    27_A      H    27_A     0.534     0    0.059   0.055     0.962   92.857   91.429
LGA    K    28_A      K    28_A     0.724     0    0.022   0.830     3.553   90.476   78.730
LGA    L    29_A      L    29_A     0.511     0    0.015   1.392     3.246   95.238   81.429
LGA    A    30_A      A    30_A     0.299     0    0.015   0.019     0.501   97.619   98.095
LGA    N    31_A      N    31_A     0.563     0    0.042   0.158     0.732   90.476   90.476
LGA    F    32_A      F    32_A     0.464     0    0.036   0.333     1.315   95.238   88.918
LGA    T    33_A      T    33_A     0.519     0    0.023   0.048     0.698   95.238   93.197
LGA    I    34_A      I    34_A     0.526     0    0.033   0.078     0.628   92.857   91.667
LGA    N    35_A      N    35_A     0.547     0    0.013   0.886     3.933   95.238   79.583
LGA    H    36_A      H    36_A     0.400     0    0.016   0.116     0.732  100.000   95.238
LGA    L    37_A      L    37_A     0.361     0    0.021   0.059     0.464  100.000  100.000
LGA    L    38_A      L    38_A     0.215     0    0.118   0.128     0.490  100.000  100.000
LGA    E    39_A      E    39_A     0.229     0    0.040   0.755     3.840  100.000   83.810
LGA    K    40_A      K    40_A     0.429     0    0.027   0.498     1.389  100.000   93.757
LGA    I    41_A      I    41_A     0.251     0    0.059   0.141     0.328  100.000  100.000
LGA    E    42_A      E    42_A     0.245     0    0.096   0.662     2.500  100.000   87.989
LGA    D    43_A      D    43_A     0.629     0    0.018   0.141     1.089   92.857   90.536
LGA    Y    44_A      Y    44_A     0.627     0    0.041   0.138     0.740   90.476   92.857
LGA    G    45_A      G    45_A     0.642     0    0.097   0.097     0.645   90.476   90.476
LGA    D    46_A      D    46_A     0.556     0    0.020   0.135     0.650   92.857   92.857
LGA    N    47_A      N    47_A     0.509     0    0.111   0.387     0.886   92.857   94.048
LGA    V    48_A      V    48_A     0.974     0    0.222   0.931     3.110   88.214   77.347
LGA    Q    49_A      Q    49_A     0.544     0    0.156   1.038     5.287   95.238   74.709
LGA    I    50_A      I    50_A     0.445     0    0.027   0.640     1.932   97.619   93.036
LGA    D    51_A      D    51_A     0.341     0    0.053   0.808     3.214   97.619   81.905
LGA    G    52_A      G    52_A     0.303     0    0.016   0.016     0.581   97.619   97.619
LGA    F    53_A      F    53_A     0.455     0    0.028   0.058     0.510   97.619   99.134
LGA    D    54_A      D    54_A     0.328     0    0.082   0.192     0.863   97.619   97.619
LGA    I    55_A      I    55_A     0.142     0    0.054   0.064     0.336  100.000  100.000
LGA    D    56_A      D    56_A     0.384     0    0.096   0.316     1.410  100.000   91.845
LGA    Y    57_A      Y    57_A     0.506     0    0.202   0.346     1.567   90.595   89.881
LGA    G    58_A      G    58_A     0.459     0    0.032   0.032     0.522   97.619   97.619
LGA    N    59_A      N    59_A     0.382     0    0.021   1.003     2.782  100.000   91.131
LGA    E    60_A      E    60_A     0.248     0    0.037   0.160     0.582  100.000   97.884
LGA    V    61_A      V    61_A     0.129     0    0.083   1.118     2.470  100.000   89.932
LGA    L    62_A      L    62_A     0.217     0    0.030   0.116     0.374  100.000  100.000
LGA    T    63_A      T    63_A     0.312     0    0.024   0.181     0.931  100.000   98.639
LGA    L    64_A      L    64_A     0.366     0    0.030   0.081     0.522  100.000   97.619
LGA    K    65_A      K    65_A     0.571     0    0.054   0.989     4.023   92.857   82.751
LGA    L    66_A      L    66_A     0.471     0    0.050   0.168     0.638  100.000   97.619
LGA    G    67_A      G    67_A     0.401     0    0.062   0.062     0.529   95.238   95.238
LGA    S    68_A      S    68_A     0.847     0    0.046   0.584     3.158   90.476   83.730
LGA    L    69_A      L    69_A     0.896     0    0.038   0.087     1.087   88.214   89.345
LGA    G    70_A      G    70_A     0.534     0    0.051   0.051     0.698   95.238   95.238
LGA    T    71_A      T    71_A     0.351     0    0.026   0.044     0.412  100.000  100.000
LGA    Y    72_A      Y    72_A     0.252     0    0.021   0.101     0.383  100.000  100.000
LGA    V    73_A      V    73_A     0.140     0    0.027   0.037     0.167  100.000  100.000
LGA    L    74_A      L    74_A     0.292     0    0.042   0.143     0.484  100.000  100.000
LGA    N    75_A      N    75_A     0.385     0    0.051   0.909     2.445  100.000   93.274
LGA    K    76_A      K    76_A     0.282     0    0.028   0.415     1.582  100.000   93.862
LGA    Q    77_A      Q    77_A     0.631     0    0.064   1.069     3.887   97.619   82.540
LGA    T    78_A      T    78_A     0.234     0    0.063   0.063     0.436  100.000  100.000
LGA    P    79_A      P    79_A     0.401     0    0.017   0.034     0.574  100.000   95.918
LGA    N    80_A      N    80_A     0.522     0    0.013   0.377     1.236   95.238   92.917
LGA    R    81_A      R    81_A     0.418     0    0.017   1.006     2.550  100.000   91.861
LGA    Q    82_A      Q    82_A     0.338     0    0.030   0.200     0.513  100.000   98.942
LGA    I    83_A      I    83_A     0.369     0    0.011   0.062     0.499  100.000  100.000
LGA    W    84_A      W    84_A     0.199     0    0.013   1.068     7.796  100.000   54.354
LGA    M    85_A      M    85_A     0.230     0    0.023   0.266     1.067  100.000   97.679
LGA    S    86_A      S    86_A     0.143     0    0.053   0.081     0.269  100.000  100.000
LGA    S    87_A      S    87_A     0.402     0    0.015   0.047     0.590   97.619   98.413
LGA    P    88_A      P    88_A     0.335     0    0.015   0.057     0.441  100.000  100.000
LGA    V    89_A      V    89_A     0.242     0    0.056   0.137     0.438  100.000  100.000
LGA    S    90_A      S    90_A     0.292     0    0.046   0.065     0.351  100.000  100.000
LGA    G    91_A      G    91_A     0.114     0    0.052   0.052     0.259  100.000  100.000
LGA    P    92_A      P    92_A     0.483     0    0.111   0.126     0.982   97.619   94.558
LGA    S    93_A      S    93_A     0.459     0    0.036   0.658     1.704  100.000   93.889
LGA    R    94_A      R    94_A     0.237     0    0.103   0.371     1.558   97.619   94.069
LGA    F    95_A      F    95_A     0.207     0    0.037   0.087     0.449  100.000  100.000
LGA    D    96_A      D    96_A     0.366     0    0.043   0.133     0.497  100.000  100.000
LGA    W    97_A      W    97_A     0.453     0    0.028   0.089     0.737  100.000   93.878
LGA    D    98_A      D    98_A     0.466     0    0.018   0.124     0.813   92.857   96.429
LGA    R    99_A      R    99_A     0.930     0    0.045   0.490     1.445   88.214   83.896
LGA    D   100_A      D   100_A     0.526     0    0.046   0.215     1.028   90.476   90.536
LGA    A   101_A      A   101_A     0.494     0    0.067   0.064     0.846   95.238   96.190
LGA    N   102_A      N   102_A     0.511     0    0.022   1.346     4.421   95.238   75.357
LGA    A   103_A      A   103_A     0.415     0    0.088   0.109     0.493  100.000  100.000
LGA    W   104_A      W   104_A     0.377     0    0.072   0.149     0.596   97.619   95.918
LGA    I   105_A      I   105_A     0.161     0    0.045   0.046     0.322  100.000  100.000
LGA    Y   106_A      Y   106_A     0.247     0    0.034   0.040     0.749  100.000   96.032
LGA    R   107_A      R   107_A     0.407     0    0.026   0.902     4.877   97.619   82.381
LGA    R   108_A      R   108_A     0.331     0    0.016   0.653     1.941  100.000   86.753
LGA    T   109_A      T   109_A     0.656     0    0.055   0.075     0.983   92.857   91.837
LGA    E   110_A      E   110_A     0.480     0    0.051   0.338     1.689   95.238   90.635
LGA    A   111_A      A   111_A     0.763     0    0.016   0.020     0.972   92.857   92.381
LGA    K   112_A      K   112_A     0.587     0    0.043   0.139     1.103   92.857   89.524
LGA    L   113_A      L   113_A     0.574     0    0.028   0.037     0.651   92.857   95.238
LGA    H   114_A      H   114_A     0.386     0    0.101   1.118     5.726   95.238   68.667
LGA    K   115_A      K   115_A     0.618     0    0.043   0.856     5.248   90.476   67.989
LGA    L   116_A      L   116_A     0.642     0    0.009   0.067     1.094   90.476   89.345
LGA    L   117_A      L   117_A     0.385     0    0.058   0.065     0.541  100.000   98.810
LGA    E   118_A      E   118_A     0.381     0    0.059   0.228     1.049   97.619   94.762
LGA    E   119_A      E   119_A     0.377     0    0.009   1.169     4.791  100.000   79.206
LGA    E   120_A      E   120_A     0.450     0    0.018   0.088     0.597  100.000   96.825
LGA    L   121_A      L   121_A     0.315     0    0.074   0.123     0.528  100.000   98.810
LGA    E   122_A      E   122_A     0.270     0    0.049   0.246     1.197  100.000   96.878
LGA    N   123_A      N   123_A     0.309     0    0.022   0.293     0.855  100.000   97.619
LGA    L   124_A      L   124_A     0.163     0    0.021   0.104     0.362  100.000  100.000
LGA    C   125_A      C   125_A     0.290     0    0.052   0.073     0.621  100.000   96.825
LGA    G   126_A      G   126_A     0.208     0    0.038   0.038     0.238  100.000  100.000
LGA    E   127_A      E   127_A     0.415     0    0.049   0.370     1.250  100.000   93.704
LGA    P   128_A      P   128_A     0.529     0    0.066   0.079     0.683   92.857   91.837
LGA    I   129_A      I   129_A     0.544     0    0.028   0.040     0.628   92.857   91.667
LGA    Q   130_A      Q   130_A     0.487     0    0.036   0.652     2.514  100.000   92.063
LGA    L   131_A      L   131_A     0.534     0    0.080   0.096     0.852   90.476   90.476
LGA    S   132_A      S   132_A     0.811     0    0.523   0.518     1.827   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):     4.251          4.156                  4.331           89.257   84.622

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    0.64    92.683    92.743    15.495

LGA_LOCAL      RMSD:   0.636  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.650  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   4.251  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.895624 * X  +  -0.270254 * Y  +   0.353298 * Z  +  -7.872064
  Y_new =  -0.307520 * X  +   0.197671 * Y  +   0.930783 * Z  + -30.721466
  Z_new =  -0.321385 * X  +  -0.942279 * Y  +   0.093931 * Z  +  10.295750 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.330746  0.327191 -1.471440   [DEG:  -18.9504   18.7467  -84.3073 ]
ZXZ:  2.778821  1.476727 -2.812894   [DEG:  159.2147   84.6102 -161.1669 ]
 
# END of job
