
#######################################################
#                                                     #
#                        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  130 ( 1060),  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       2.82     2.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   120      13_A - 132_A       1.92     2.88
  LCS_AVERAGE:     95.32

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116      17_A - 132_A       0.97     3.04
  LCS_AVERAGE:     89.13

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    4    6    6   10   11   11   14   17   25   30   42   52   59   66   71   87  101  106 
LCS_GDT     S    11_A     S    11_A      3    8  123      3    3    4    8   11   20   24   36   41   59   77   91  106  119  121  122  122  122  122  122 
LCS_GDT     S    12_A     S    12_A      3    8  123      3    3    4    7   15   23   30   48   73   97  112  119  119  120  121  122  122  122  122  122 
LCS_GDT     G    13_A     G    13_A      5  120  123      3    4    6    6    7   10   11   12   14   32   40   53   68   95  108  122  122  122  122  122 
LCS_GDT     L    14_A     L    14_A      5  120  123      3    4    6    6    8   13   23   33   58   92  116  119  119  120  121  122  122  122  122  122 
LCS_GDT     V    15_A     V    15_A      5  120  123      3    9   21   36   67   90  110  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     P    16_A     P    16_A      5  120  123      3    4   35   84  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     R    17_A     R    17_A    116  120  123      3    4    6    6    8  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     G    18_A     G    18_A    116  120  123      3    4    5    6    8   10  100  109  116  117  118  118  118  120  121  122  122  122  122  122 
LCS_GDT     S    19_A     S    19_A    116  120  123      3    4    4  110  111  113  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     H    20_A     H    20_A    116  120  123      3   25   89  102  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     M    21_A     M    21_A    116  120  123     15   93  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     Q    22_A     Q    22_A    116  120  123      7   93  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E    23_A     E    23_A    116  120  123     53  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E    24_A     E    24_A    116  120  123     65  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E    25_A     E    25_A    116  120  123     66  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     F    26_A     F    26_A    116  120  123     74  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     H    27_A     H    27_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     K    28_A     K    28_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L    29_A     L    29_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     A    30_A     A    30_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     N    31_A     N    31_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     F    32_A     F    32_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     T    33_A     T    33_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     I    34_A     I    34_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     N    35_A     N    35_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     H    36_A     H    36_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L    37_A     L    37_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L    38_A     L    38_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E    39_A     E    39_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     K    40_A     K    40_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     I    41_A     I    41_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E    42_A     E    42_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     D    43_A     D    43_A    116  120  123     72  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     Y    44_A     Y    44_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     G    45_A     G    45_A    116  120  123     72  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     D    46_A     D    46_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     N    47_A     N    47_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     V    48_A     V    48_A    116  120  123     24  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     Q    49_A     Q    49_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     I    50_A     I    50_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     D    51_A     D    51_A    116  120  123     62  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     G    52_A     G    52_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     F    53_A     F    53_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     D    54_A     D    54_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     I    55_A     I    55_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     D    56_A     D    56_A    116  120  123     61  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     Y    57_A     Y    57_A    116  120  123     69  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     G    58_A     G    58_A    116  120  123     67  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     N    59_A     N    59_A    116  120  123     34  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E    60_A     E    60_A    116  120  123     34  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     V    61_A     V    61_A    116  120  123     65  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L    62_A     L    62_A    116  120  123     70  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     T    63_A     T    63_A    116  120  123     72  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L    64_A     L    64_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     K    65_A     K    65_A    116  120  123     61  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L    66_A     L    66_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     G    67_A     G    67_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     S    68_A     S    68_A    116  120  123     34  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L    69_A     L    69_A    116  120  123     34  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     G    70_A     G    70_A    116  120  123     45  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     T    71_A     T    71_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     Y    72_A     Y    72_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     V    73_A     V    73_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L    74_A     L    74_A    116  120  123     46  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     N    75_A     N    75_A    116  120  123     24  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     K    76_A     K    76_A    116  120  123     34  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     Q    77_A     Q    77_A    116  120  123     30  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     T    78_A     T    78_A    116  120  123     34  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     P    79_A     P    79_A    116  120  123     34  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     N    80_A     N    80_A    116  120  123     72  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     R    81_A     R    81_A    116  120  123     72  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     Q    82_A     Q    82_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     I    83_A     I    83_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     W    84_A     W    84_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     M    85_A     M    85_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     S    86_A     S    86_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     S    87_A     S    87_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     P    88_A     P    88_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     V    89_A     V    89_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     S    90_A     S    90_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     G    91_A     G    91_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     P    92_A     P    92_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     S    93_A     S    93_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     R    94_A     R    94_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     F    95_A     F    95_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     D    96_A     D    96_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     W    97_A     W    97_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     D    98_A     D    98_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     R    99_A     R    99_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     D   100_A     D   100_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     A   101_A     A   101_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     N   102_A     N   102_A    116  120  123     69  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     A   103_A     A   103_A    116  120  123     36  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     W   104_A     W   104_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     I   105_A     I   105_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     Y   106_A     Y   106_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     R   107_A     R   107_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     R   108_A     R   108_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     T   109_A     T   109_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E   110_A     E   110_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     A   111_A     A   111_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     K   112_A     K   112_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L   113_A     L   113_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     H   114_A     H   114_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     K   115_A     K   115_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L   116_A     L   116_A    116  120  123     68  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L   117_A     L   117_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E   118_A     E   118_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E   119_A     E   119_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E   120_A     E   120_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L   121_A     L   121_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E   122_A     E   122_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     N   123_A     N   123_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L   124_A     L   124_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     C   125_A     C   125_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     G   126_A     G   126_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     E   127_A     E   127_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     P   128_A     P   128_A    116  120  123     75  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     I   129_A     I   129_A    116  120  123     65  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     Q   130_A     Q   130_A    116  120  123     66  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     L   131_A     L   131_A    116  120  123     65  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_GDT     S   132_A     S   132_A    116  120  123     30  110  112  112  113  115  116  116  117  117  118  119  119  120  121  122  122  122  122  122 
LCS_AVERAGE  LCS_A:  94.82  (  89.13   95.32  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     75    110    112    112    113    115    116    116    117    117    118    119    119    120    121    122    122    122    122    122 
GDT PERCENT_AT  60.98  89.43  91.06  91.06  91.87  93.50  94.31  94.31  95.12  95.12  95.93  96.75  96.75  97.56  98.37  99.19  99.19  99.19  99.19  99.19
GDT RMS_LOCAL    0.34   0.50   0.53   0.53   0.62   0.84   0.89   0.89   1.08   1.08   1.21   1.70   1.70   1.79   2.10   2.39   2.39   2.39   2.39   2.39
GDT RMS_ALL_AT   3.09   3.06   3.05   3.05   3.03   3.00   3.00   3.00   2.97   2.97   2.98   2.88   2.88   2.89   2.85   2.83   2.83   2.83   2.83   2.83

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    25_A      E    25_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   118_A      E   118_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    18.198     0    0.166   0.973    27.005    0.000    0.000
LGA    S    11_A      S    11_A    13.249     0    0.706   0.849    14.702    0.000    0.238
LGA    S    12_A      S    12_A    11.743     0    0.134   0.580    12.170    0.000    0.317
LGA    G    13_A      G    13_A    14.064     0    0.413   0.413    14.064    0.000    0.000
LGA    L    14_A      L    14_A     9.709     3    0.016   0.025    11.673    1.190    0.595
LGA    V    15_A      V    15_A     6.679     0    0.051   0.115     8.237   25.714   18.707
LGA    P    16_A      P    16_A     4.247     0    0.197   0.214     7.439   29.286   23.333
LGA    R    17_A      R    17_A     4.158     6    0.665   0.613     5.213   36.190   17.100
LGA    G    18_A      G    18_A     6.039     0    0.020   0.020     6.039   25.238   25.238
LGA    S    19_A      S    19_A     3.437     0    0.508   0.446     4.676   48.810   43.968
LGA    H    20_A      H    20_A     3.219     5    0.599   0.541     5.281   54.643   24.476
LGA    M    21_A      M    21_A     1.257     0    0.040   0.679     2.949   81.429   78.393
LGA    Q    22_A      Q    22_A     1.315     0    0.054   0.907     4.664   83.690   68.942
LGA    E    23_A      E    23_A     0.760     0    0.064   0.253     1.858   92.857   84.656
LGA    E    24_A      E    24_A     0.451     4    0.010   0.014     0.492  100.000   55.556
LGA    E    25_A      E    25_A     0.438     0    0.092   0.128     0.449  100.000  100.000
LGA    F    26_A      F    26_A     0.366     0    0.071   0.185     0.812   97.619   95.671
LGA    H    27_A      H    27_A     0.458     0    0.044   0.084     0.873   97.619   93.333
LGA    K    28_A      K    28_A     0.392     0    0.042   0.973     4.190  100.000   81.323
LGA    L    29_A      L    29_A     0.393     0    0.025   0.051     0.520   97.619   98.810
LGA    A    30_A      A    30_A     0.480     0    0.022   0.033     0.510   95.238   96.190
LGA    N    31_A      N    31_A     0.386     0    0.015   0.125     0.452  100.000  100.000
LGA    F    32_A      F    32_A     0.512     0    0.030   0.316     2.022   97.619   84.286
LGA    T    33_A      T    33_A     0.561     0    0.022   1.009     2.447   90.476   84.286
LGA    I    34_A      I    34_A     0.415     0    0.049   0.078     0.521  100.000   98.810
LGA    N    35_A      N    35_A     0.211     0    0.017   0.896     3.766  100.000   83.155
LGA    H    36_A      H    36_A     0.362     0    0.014   0.081     0.969  100.000   94.286
LGA    L    37_A      L    37_A     0.381     0    0.026   0.052     0.528  100.000   98.810
LGA    L    38_A      L    38_A     0.320     0    0.093   0.117     0.557  100.000   97.619
LGA    E    39_A      E    39_A     0.279     0    0.055   0.262     1.781  100.000   91.799
LGA    K    40_A      K    40_A     0.489     0    0.019   0.680     2.378  100.000   89.894
LGA    I    41_A      I    41_A     0.563     0    0.080   0.157     1.195   97.619   91.786
LGA    E    42_A      E    42_A     0.516     0    0.092   0.685     2.650   95.238   83.968
LGA    D    43_A      D    43_A     0.779     0    0.026   0.124     1.458   90.476   87.083
LGA    Y    44_A      Y    44_A     0.595     0    0.028   0.115     0.694   90.476   95.238
LGA    G    45_A      G    45_A     0.710     0    0.067   0.067     0.710   90.476   90.476
LGA    D    46_A      D    46_A     0.665     0    0.018   0.031     0.757   90.476   90.476
LGA    N    47_A      N    47_A     0.590     0    0.062   0.188     0.777   90.476   90.476
LGA    V    48_A      V    48_A     0.754     0    0.141   0.926     3.217   92.857   80.000
LGA    Q    49_A      Q    49_A     0.509     0    0.082   0.823     2.528   92.857   82.963
LGA    I    50_A      I    50_A     0.565     0    0.005   0.642     1.737   90.476   88.274
LGA    D    51_A      D    51_A     0.646     0    0.061   0.818     3.932   90.476   74.524
LGA    G    52_A      G    52_A     0.446     0    0.010   0.010     0.506   97.619   97.619
LGA    F    53_A      F    53_A     0.293     0    0.046   0.071     0.609   97.619   96.537
LGA    D    54_A      D    54_A     0.377     0    0.133   0.258     1.085   97.619   96.488
LGA    I    55_A      I    55_A     0.362     0    0.071   0.125     0.843   97.619   94.048
LGA    D    56_A      D    56_A     0.744     0    0.075   0.392     2.093   97.619   84.286
LGA    Y    57_A      Y    57_A     0.467     0    0.135   0.309     1.546   92.976   89.167
LGA    G    58_A      G    58_A     0.552     0    0.067   0.067     1.030   90.595   90.595
LGA    N    59_A      N    59_A     0.893     0    0.034   0.080     1.145   90.476   87.083
LGA    E    60_A      E    60_A     0.862     0    0.063   0.294     1.448   88.214   86.455
LGA    V    61_A      V    61_A     0.524     0    0.062   1.134     2.770   95.238   85.034
LGA    L    62_A      L    62_A     0.412     0    0.028   0.064     0.641   97.619   98.810
LGA    T    63_A      T    63_A     0.477     0    0.016   0.116     0.947  100.000   95.918
LGA    L    64_A      L    64_A     0.435     0    0.025   0.085     0.515  100.000   97.619
LGA    K    65_A      K    65_A     0.557     0    0.076   1.028     4.525   90.476   79.206
LGA    L    66_A      L    66_A     0.358     0    0.019   0.105     0.479  100.000  100.000
LGA    G    67_A      G    67_A     0.203     0    0.096   0.096     0.422  100.000  100.000
LGA    S    68_A      S    68_A     0.922     0    0.067   0.593     3.362   90.476   82.222
LGA    L    69_A      L    69_A     0.956     0    0.042   0.100     1.103   88.214   89.345
LGA    G    70_A      G    70_A     0.704     0    0.025   0.025     0.811   90.476   90.476
LGA    T    71_A      T    71_A     0.465     0    0.016   0.046     0.570   97.619   98.639
LGA    Y    72_A      Y    72_A     0.352     0    0.035   0.080     0.557   97.619   98.413
LGA    V    73_A      V    73_A     0.281     0    0.048   0.073     0.336  100.000  100.000
LGA    L    74_A      L    74_A     0.582     0    0.103   0.112     0.932   92.857   91.667
LGA    N    75_A      N    75_A     0.858     0    0.085   0.809     2.374   92.857   84.107
LGA    K    76_A      K    76_A     0.810     0    0.154   0.669     1.280   90.476   89.471
LGA    Q    77_A      Q    77_A     0.812     0    0.038   1.072     2.287   90.476   85.714
LGA    T    78_A      T    78_A     0.760     0    0.042   0.109     0.882   90.476   90.476
LGA    P    79_A      P    79_A     0.929     0    0.006   0.023     1.140   90.476   87.891
LGA    N    80_A      N    80_A     0.546     0    0.026   0.397     1.454   92.857   91.726
LGA    R    81_A      R    81_A     0.535     0    0.054   0.863     2.248   95.238   82.641
LGA    Q    82_A      Q    82_A     0.273     0    0.011   0.157     1.098  100.000   95.820
LGA    I    83_A      I    83_A     0.302     0    0.040   0.633     2.076  100.000   95.595
LGA    W    84_A      W    84_A     0.317     0    0.031   0.056     0.508  100.000   98.639
LGA    M    85_A      M    85_A     0.344     0    0.025   0.228     1.194  100.000   97.679
LGA    S    86_A      S    86_A     0.209     0    0.037   0.055     0.358  100.000  100.000
LGA    S    87_A      S    87_A     0.378     0    0.021   0.036     0.568  100.000   98.413
LGA    P    88_A      P    88_A     0.184     0    0.020   0.058     0.361  100.000  100.000
LGA    V    89_A      V    89_A     0.208     0    0.031   0.147     0.464  100.000  100.000
LGA    S    90_A      S    90_A     0.255     0    0.055   0.071     0.307  100.000  100.000
LGA    G    91_A      G    91_A     0.341     0    0.033   0.033     0.341  100.000  100.000
LGA    P    92_A      P    92_A     0.520     0    0.064   0.093     0.878   92.857   91.837
LGA    S    93_A      S    93_A     0.498     0    0.013   0.065     0.498  100.000  100.000
LGA    R    94_A      R    94_A     0.553     0    0.024   0.730     3.524   92.857   83.030
LGA    F    95_A      F    95_A     0.471     0    0.024   0.097     0.530   97.619   99.134
LGA    D    96_A      D    96_A     0.801     0    0.039   0.151     1.010   90.476   89.345
LGA    W    97_A      W    97_A     0.797     0    0.026   0.067     0.981   90.476   90.476
LGA    D    98_A      D    98_A     0.751     0    0.044   0.083     0.944   90.476   90.476
LGA    R    99_A      R    99_A     0.734     0    0.020   0.159     0.736   90.476   91.342
LGA    D   100_A      D   100_A     0.635     0    0.069   0.161     1.307   90.476   87.083
LGA    A   101_A      A   101_A     0.588     0    0.060   0.059     0.856   90.476   90.476
LGA    N   102_A      N   102_A     0.821     0    0.010   1.125     3.331   85.952   80.893
LGA    A   103_A      A   103_A     0.879     0    0.050   0.065     0.933   90.476   90.476
LGA    W   104_A      W   104_A     0.611     0    0.070   0.136     0.983   90.476   90.476
LGA    I   105_A      I   105_A     0.195     0    0.014   0.609     2.321  100.000   95.595
LGA    Y   106_A      Y   106_A     0.138     0    0.050   0.075     0.341  100.000  100.000
LGA    R   107_A      R   107_A     0.392     0    0.016   1.439     6.775  100.000   69.437
LGA    R   108_A      R   108_A     0.248     0    0.031   0.802     3.997  100.000   74.848
LGA    T   109_A      T   109_A     0.403     0    0.055   0.065     0.680   97.619   95.918
LGA    E   110_A      E   110_A     0.130     0    0.035   0.306     0.978  100.000   98.942
LGA    A   111_A      A   111_A     0.423     0    0.029   0.028     0.478  100.000  100.000
LGA    K   112_A      K   112_A     0.548     0    0.030   0.734     4.572   92.857   72.487
LGA    L   113_A      L   113_A     0.624     0    0.022   0.051     0.674   90.476   90.476
LGA    H   114_A      H   114_A     0.492     0    0.068   1.051     6.363   92.857   66.810
LGA    K   115_A      K   115_A     0.629     0    0.080   0.132     0.805   90.476   90.476
LGA    L   116_A      L   116_A     0.650     0    0.030   0.075     0.934   90.476   90.476
LGA    L   117_A      L   117_A     0.569     0    0.053   1.273     2.597   90.476   81.012
LGA    E   118_A      E   118_A     0.572     0    0.060   0.312     1.168   90.476   90.529
LGA    E   119_A      E   119_A     0.266     0    0.038   1.203     5.339  100.000   76.190
LGA    E   120_A      E   120_A     0.348     0    0.040   0.169     0.692  100.000   98.942
LGA    L   121_A      L   121_A     0.205     0    0.060   0.063     0.329  100.000  100.000
LGA    E   122_A      E   122_A     0.342     0    0.057   0.231     1.390  100.000   94.762
LGA    N   123_A      N   123_A     0.361     0    0.025   0.125     0.646  100.000   98.810
LGA    L   124_A      L   124_A     0.123     0    0.028   0.091     0.235  100.000  100.000
LGA    C   125_A      C   125_A     0.196     0    0.049   0.069     0.550  100.000   98.413
LGA    G   126_A      G   126_A     0.337     0    0.020   0.020     0.421  100.000  100.000
LGA    E   127_A      E   127_A     0.175     0    0.042   0.352     1.090  100.000   96.878
LGA    P   128_A      P   128_A     0.268     0    0.081   0.107     0.471  100.000  100.000
LGA    I   129_A      I   129_A     0.498     0    0.037   0.045     0.738  100.000   95.238
LGA    Q   130_A      Q   130_A     0.437     0    0.077   1.029     3.706   95.238   75.450
LGA    L   131_A      L   131_A     0.449     0    0.029   0.110     0.639   95.238   96.429
LGA    S   132_A      S   132_A     0.992     0    0.585   0.591     3.180   78.095   82.222

# 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):     2.819          2.747                  3.013           88.604   83.888

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  123    4.0    116    0.89    93.496    94.184    11.680

LGA_LOCAL      RMSD:   0.893  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.004  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   2.819  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.410536 * X  +  -0.129538 * Y  +  -0.902596 * Z  +  -3.632908
  Y_new =  -0.776825 * X  +  -0.468664 * Y  +   0.420591 * Z  + -27.684088
  Z_new =  -0.477497 * X  +   0.873827 * Y  +   0.091775 * Z  +   9.100622 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.056967  0.497804  1.466153   [DEG: -117.8555   28.5221   84.0044 ]
ZXZ: -2.006859  1.478891 -0.500109   [DEG: -114.9845   84.7342  -28.6541 ]
 
# END of job
