
#######################################################
#                                                     #
#                        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  145 ( 1131),  selected  127 , name one
# Molecule2: number of CA atoms  131 (  992),  selected  127 , 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:   127       4_A - 147_A       2.48     2.48
  LCS_AVERAGE:     96.95

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      61_A - 147_A       1.99     2.63
  LCS_AVERAGE:     44.76

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      64_A - 115_A       0.98     2.62
  LONGEST_CONTINUOUS_SEGMENT:    35      65_A - 116_A       0.94     2.61
  LCS_AVERAGE:     20.01

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     E     4_A     E     4_A      4    4  127      7   25   52   91  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     K     5_A     K     5_A      4    4  127      7   30   61   90  105  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     T     6_A     T     6_A      4    4  127      4   25   45   72   99  112  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     V     7_A     V     7_A      4    4  127      4   30   63   90  105  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     Y     8_A     Y     8_A      3    4  127      3    5   24   58   94  106  113  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     G     9_A     G     9_A      3   27  127      3    3    5    8   20   37   53   91  104  113  119  123  126  127  127  127  127  127  127  127 
LCS_GDT     L    10_A     L    10_A      3   49  127      3    3    4   13   20   49   83  100  109  119  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     N    11_A     N    11_A      3   49  127      3    3    3    9   21   72   93  104  115  119  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     E    12_A     E    12_A     24   49  127      6   66   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     Y    13_A     Y    13_A     24   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A    14_A     A    14_A     24   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A    15_A     A    15_A     24   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L    16_A     L    16_A     24   49  127     34   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     D    17_A     D    17_A     24   49  127     11   58   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     G    18_A     G    18_A     24   49  127      3   11   81   94  105  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     I    19_A     I    19_A     24   49  127     10   63   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     N    20_A     N    20_A     24   49  127      5   31   78   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L    21_A     L    21_A     24   49  127      5   47   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     E    22_A     E    22_A     24   49  127     15   47   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     V    23_A     V    23_A     24   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A    24_A     A    24_A     24   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A    25_A     A    25_A     24   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     K    26_A     K    26_A     24   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L    27_A     L    27_A     24   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     D    28_A     D    28_A     29   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     T    29_A     T    29_A     29   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     G    30_A     G    30_A     29   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A    31_A     A    31_A     29   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     K    32_A     K    32_A     29   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     T    33_A     T    33_A     29   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A    34_A     A    34_A     29   49  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     S    35_A     S    35_A     29   49  127      8   49   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L    36_A     L    36_A     29   49  127      6   27   74   94  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     S    37_A     S    37_A     29   49  127     10   45   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A    38_A     A    38_A     29   49  127      4   34   82   94  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     R    39_A     R    39_A     29   49  127      2    5   39   79   95  110  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     D    40_A     D    40_A     29   49  127      4   31   82   94  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     I    41_A     I    41_A     29   49  127      9   45   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     K    42_A     K    42_A     29   49  127      9   42   81   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     R    43_A     R    43_A     29   49  127      9   33   70   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     F    44_A     F    44_A     29   49  127      9   35   63   93  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     K    45_A     K    45_A     29   49  127      9   29   66   94  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     R    46_A     R    46_A     29   49  127      9   28   65   94  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     N    47_A     N    47_A     29   49  127      9   37   70   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     G    48_A     G    48_A     29   49  127     11   37   70   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     E    49_A     E    49_A     29   49  127     11   37   70   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     S    50_A     S    50_A     29   49  127     11   42   76   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     W    51_A     W    51_A     29   49  127      9   45   81   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     V    52_A     V    52_A     29   49  127     21   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     R    53_A     R    53_A     29   49  127     21   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     F    54_A     F    54_A     29   49  127     21   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     Y    55_A     Y    55_A     29   49  127     22   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L    56_A     L    56_A     29   49  127     17   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A    57_A     A    57_A     17   49  127      3    4   37   86  104  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     I    58_A     I    58_A      6   49  127     24   59   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     D    59_A     D    59_A      3   49  127      3    3    3   11   38   60   73   93  109  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A    60_A     A    60_A      3   49  127      3    3    4   19   50   70   85  102  117  121  122  124  125  127  127  127  127  127  127  127 
LCS_GDT     A    61_A     A    61_A      3   70  127      3   11   28   58   87  101  113  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     H    62_A     H    62_A      3   70  127      3    3   32   59   69   96  112  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     S    63_A     S    63_A      9   70  127      4    6   25   70   92  104  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     H    64_A     H    64_A     35   70  127      5   27   77   92  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     P    65_A     P    65_A     35   70  127      8   62   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     I    66_A     I    66_A     35   70  127     20   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     E    67_A     E    67_A     35   70  127      8   51   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     R    68_A     R    68_A     35   70  127      8   36   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     P    69_A     P    69_A     35   70  127      9   19   69   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L    70_A     L    70_A     35   70  127     26   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A    71_A     A    71_A     35   70  127     23   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     R    72_A     R    72_A     35   70  127     20   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     V    73_A     V    73_A     35   70  127     17   64   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     S    74_A     S    74_A     35   70  127     17   64   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     K    75_A     K    75_A     35   70  127      5   49   79   94  106  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A    93_A     A    93_A     35   70  127     17   63   82   94  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     R    94_A     R    94_A     35   70  127     32   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     P    95_A     P    95_A     35   70  127     23   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     V    96_A     V    96_A     35   70  127     32   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     I    97_A     I    97_A     35   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     E    98_A     E    98_A     35   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L    99_A     L    99_A     35   70  127     30   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     D   100_A     D   100_A     35   70  127     25   60   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     I   101_A     I   101_A     35   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     C   102_A     C   102_A     35   70  127     32   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     M   103_A     M   103_A     35   70  127     31   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     G   104_A     G   104_A     35   70  127      8   43   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     S   105_A     S   105_A     35   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A   106_A     A   106_A     35   70  127     22   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     M   107_A     M   107_A     35   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     R   108_A     R   108_A     35   70  127     31   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     S   109_A     S   109_A     35   70  127     30   64   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     I   110_A     I   110_A     35   70  127     31   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     E   111_A     E   111_A     35   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     V   112_A     V   112_A     35   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     N   113_A     N   113_A     35   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L   114_A     L   114_A     35   70  127     33   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     T   115_A     T   115_A     35   70  127     32   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     D   116_A     D   116_A     35   70  127     15   64   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     R   117_A     R   117_A     31   70  127      3   11   36   87  105  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     S   118_A     S   118_A      4   70  127      3    4   11   29   69   97  112  117  120  120  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A   119_A     A   119_A      4   70  127      3    4    4    8   10   15   20   37   59   93  110  120  126  127  127  127  127  127  127  127 
LCS_GDT     F   120_A     F   120_A      4   70  127      3    5    9   20   30   44   54   67  107  113  120  123  126  127  127  127  127  127  127  127 
LCS_GDT     Q   121_A     Q   121_A     27   70  127      6   32   74   94  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     Y   122_A     Y   122_A     27   70  127      3   57   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     P   123_A     P   123_A     27   70  127     34   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L   124_A     L   124_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L   125_A     L   125_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     I   126_A     I   126_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     G   127_A     G   127_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     S   128_A     S   128_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     E   129_A     E   129_A     27   70  127     34   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A   130_A     A   130_A     27   70  127     34   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L   131_A     L   131_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     K   132_A     K   132_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     R   133_A     R   133_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     F   134_A     F   134_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     D   135_A     D   135_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A   136_A     A   136_A     27   70  127     34   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L   137_A     L   137_A     27   70  127     10   64   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     V   138_A     V   138_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     D   139_A     D   139_A     27   70  127     30   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     P   140_A     P   140_A     27   70  127     25   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     S   141_A     S   141_A     27   70  127     16   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     L   142_A     L   142_A     27   70  127     30   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     K   143_A     K   143_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     Y   144_A     Y   144_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A   145_A     A   145_A     27   70  127     36   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     A   146_A     A   146_A     27   70  127     30   67   82   96  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_GDT     G   147_A     G   147_A     27   70  127      3   12   59   94  107  113  115  118  120  121  122  124  126  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  53.90  (  20.01   44.76   96.95 )

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     36     67     82     96    107    113    115    118    120    121    122    124    126    127    127    127    127    127    127    127 
GDT PERCENT_AT  27.48  51.15  62.60  73.28  81.68  86.26  87.79  90.08  91.60  92.37  93.13  94.66  96.18  96.95  96.95  96.95  96.95  96.95  96.95  96.95
GDT RMS_LOCAL    0.33   0.63   0.81   1.11   1.34   1.44   1.52   1.71   1.82   1.96   2.01   2.16   2.41   2.48   2.48   2.48   2.48   2.48   2.48   2.48
GDT RMS_ALL_AT   2.67   2.58   2.58   2.57   2.55   2.57   2.57   2.53   2.51   2.51   2.51   2.50   2.48   2.48   2.48   2.48   2.48   2.48   2.48   2.48

# Checking swapping
#   possible swapping detected:  Y     8_A      Y     8_A
#   possible swapping detected:  Y    13_A      Y    13_A
#   possible swapping detected:  E    22_A      E    22_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  Y    55_A      Y    55_A
#   possible swapping detected:  D    59_A      D    59_A
#   possible swapping detected:  E   111_A      E   111_A
#   possible swapping detected:  F   134_A      F   134_A
#   possible swapping detected:  Y   144_A      Y   144_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A     2.708     4    0.064   0.061     3.690   53.810   31.111
LGA    K     5_A      K     5_A     3.106     0    0.170   0.686    12.266   51.905   28.307
LGA    T     6_A      T     6_A     3.795     0    0.154   0.984     7.262   46.667   32.449
LGA    V     7_A      V     7_A     2.728     0    0.596   0.575     4.446   62.857   53.673
LGA    Y     8_A      Y     8_A     4.555     0    0.567   0.613    10.174   28.214   15.278
LGA    G     9_A      G     9_A     8.282     0    0.599   0.599     8.282    8.810    8.810
LGA    L    10_A      L    10_A     7.216     0    0.308   1.032     9.818   13.929    8.571
LGA    N    11_A      N    11_A     6.414     0    0.065   1.343    11.082   29.286   15.060
LGA    E    12_A      E    12_A     0.735     0    0.678   0.590     5.589   79.881   57.196
LGA    Y    13_A      Y    13_A     0.735     0    0.043   0.271     2.166   90.476   80.952
LGA    A    14_A      A    14_A     0.708     0    0.050   0.050     0.711   90.476   90.476
LGA    A    15_A      A    15_A     0.612     0    0.028   0.041     0.758   95.238   94.286
LGA    L    16_A      L    16_A     0.577     0    0.103   1.073     3.221   92.857   84.345
LGA    D    17_A      D    17_A     1.262     0    0.656   0.864     3.854   77.619   65.893
LGA    G    18_A      G    18_A     2.384     0    0.021   0.021     2.384   66.786   66.786
LGA    I    19_A      I    19_A     1.472     0    0.574   0.983     3.185   69.286   66.250
LGA    N    20_A      N    20_A     2.205     0    0.106   0.852     5.570   66.786   52.083
LGA    L    21_A      L    21_A     1.842     0    0.096   1.377     4.031   72.857   66.369
LGA    E    22_A      E    22_A     2.055     0    0.024   0.794     5.348   70.952   53.810
LGA    V    23_A      V    23_A     0.918     0    0.086   1.066     2.780   90.476   83.197
LGA    A    24_A      A    24_A     1.170     0    0.040   0.050     1.453   83.690   83.238
LGA    A    25_A      A    25_A     0.554     0    0.039   0.052     0.697   90.476   90.476
LGA    K    26_A      K    26_A     0.658     0    0.057   0.126     1.192   90.476   88.466
LGA    L    27_A      L    27_A     0.635     0    0.045   0.067     1.040   90.476   89.345
LGA    D    28_A      D    28_A     0.389     0    0.006   0.040     0.607  100.000   97.619
LGA    T    29_A      T    29_A     0.277     0    0.015   0.024     0.441  100.000  100.000
LGA    G    30_A      G    30_A     0.517     0    0.016   0.016     0.579   95.238   95.238
LGA    A    31_A      A    31_A     0.414     0    0.030   0.028     0.489  100.000  100.000
LGA    K    32_A      K    32_A     0.638     0    0.024   1.075     3.350   92.857   84.074
LGA    T    33_A      T    33_A     0.826     0    0.018   0.070     1.357   90.476   86.599
LGA    A    34_A      A    34_A     0.734     0    0.048   0.053     0.734   90.476   90.476
LGA    S    35_A      S    35_A     1.384     0    0.067   0.062     1.712   77.143   78.571
LGA    L    36_A      L    36_A     2.206     0    0.112   0.157     4.212   68.810   57.798
LGA    S    37_A      S    37_A     1.528     0    0.597   0.814     4.279   61.905   65.635
LGA    A    38_A      A    38_A     2.114     0    0.150   0.191     3.365   61.190   63.524
LGA    R    39_A      R    39_A     3.663     0    0.663   1.123     7.704   39.524   26.320
LGA    D    40_A      D    40_A     2.116     0    0.331   0.867     4.303   70.952   59.107
LGA    I    41_A      I    41_A     1.525     0    0.101   1.139     4.395   72.857   66.905
LGA    K    42_A      K    42_A     1.594     4    0.113   0.140     1.594   77.143   42.381
LGA    R    43_A      R    43_A     2.122     0    0.015   1.229     8.935   62.857   43.593
LGA    F    44_A      F    44_A     2.763     0    0.077   1.257     4.312   60.952   58.571
LGA    K    45_A      K    45_A     2.731     0    0.010   0.852     4.212   55.357   54.974
LGA    R    46_A      R    46_A     2.857     0    0.052   1.052     3.045   57.143   61.472
LGA    N    47_A      N    47_A     2.459     0    0.033   0.950     4.945   62.857   53.512
LGA    G    48_A      G    48_A     2.338     0    0.088   0.088     2.641   62.857   62.857
LGA    E    49_A      E    49_A     2.211     0    0.081   1.064     5.491   64.762   55.608
LGA    S    50_A      S    50_A     1.702     0    0.029   0.057     1.879   77.143   75.714
LGA    W    51_A      W    51_A     1.257     0    0.062   0.297     2.896   83.690   73.231
LGA    V    52_A      V    52_A     0.402     0    0.027   0.980     2.612   95.238   86.122
LGA    R    53_A      R    53_A     0.532     0    0.039   1.186     5.494   90.476   76.320
LGA    F    54_A      F    54_A     0.584     0    0.035   0.119     0.584   95.238   97.403
LGA    Y    55_A      Y    55_A     1.126     0    0.098   0.194     1.556   85.952   82.222
LGA    L    56_A      L    56_A     1.136     0    0.154   0.204     2.408   79.286   75.119
LGA    A    57_A      A    57_A     2.846     0    0.634   0.577     3.852   62.857   58.952
LGA    I    58_A      I    58_A     1.932     0    0.619   1.050     5.074   62.976   55.417
LGA    D    59_A      D    59_A     7.068     0    0.534   1.406    11.802   11.190    5.774
LGA    A    60_A      A    60_A     7.062     0    0.198   0.201     7.204   13.571   12.857
LGA    A    61_A      A    61_A     5.298     0    0.069   0.067     5.777   26.190   25.238
LGA    H    62_A      H    62_A     5.322     0    0.457   0.867    12.102   23.452   10.667
LGA    S    63_A      S    63_A     4.434     0    0.641   0.577     6.677   43.452   34.762
LGA    H    64_A      H    64_A     2.628     0    0.220   1.158     4.865   59.167   56.476
LGA    P    65_A      P    65_A     1.251     0    0.022   0.337     1.848   79.286   77.755
LGA    I    66_A      I    66_A     0.418     0    0.155   1.012     2.750   97.619   84.464
LGA    E    67_A      E    67_A     1.089     0    0.103   0.293     1.816   81.548   79.577
LGA    R    68_A      R    68_A     1.394     0    0.019   0.981     4.422   81.429   69.870
LGA    P    69_A      P    69_A     1.756     0    0.043   0.335     2.441   77.143   72.993
LGA    L    70_A      L    70_A     0.509     0    0.072   0.230     1.400   88.214   89.405
LGA    A    71_A      A    71_A     1.270     0    0.241   0.260     1.978   79.286   81.524
LGA    R    72_A      R    72_A     1.387     0    0.033   1.230     5.072   81.429   70.693
LGA    V    73_A      V    73_A     1.584     0    0.135   1.095     3.836   72.857   71.156
LGA    S    74_A      S    74_A     1.552     0    0.111   0.185     3.089   65.119   69.127
LGA    K    75_A      K    75_A     2.525     4    0.090   0.121     2.719   61.071   33.492
LGA    A    93_A      A    93_A     1.870     0    0.535   0.585     4.042   61.905   65.810
LGA    R    94_A      R    94_A     0.878     4    0.064   0.646     3.404   85.952   50.606
LGA    P    95_A      P    95_A     0.893     0    0.024   0.306     0.988   90.476   90.476
LGA    V    96_A      V    96_A     0.581     0    0.034   0.082     0.891   90.476   90.476
LGA    I    97_A      I    97_A     1.008     0    0.029   0.082     1.344   83.690   83.690
LGA    E    98_A      E    98_A     1.243     0    0.044   0.433     3.578   79.286   68.942
LGA    L    99_A      L    99_A     1.168     0    0.045   0.725     2.972   81.429   76.310
LGA    D   100_A      D   100_A     1.449     0    0.108   0.188     2.904   81.429   74.167
LGA    I   101_A      I   101_A     0.556     0    0.033   0.645     2.207   90.476   87.262
LGA    C   102_A      C   102_A     1.141     0    0.050   0.156     2.001   83.690   80.159
LGA    M   103_A      M   103_A     1.265     0    0.035   1.003     3.071   79.286   76.429
LGA    G   104_A      G   104_A     1.996     0    0.607   0.607     4.528   60.476   60.476
LGA    S   105_A      S   105_A     1.172     0    0.105   0.665     1.477   81.429   81.429
LGA    A   106_A      A   106_A     1.514     0    0.069   0.082     1.690   79.286   78.000
LGA    M   107_A      M   107_A     1.075     0    0.043   0.979     4.081   81.429   72.857
LGA    R   108_A      R   108_A     1.432     0    0.080   0.993     4.213   81.429   70.519
LGA    S   109_A      S   109_A     1.510     0    0.076   0.087     2.034   77.143   74.365
LGA    I   110_A      I   110_A     1.098     0    0.020   0.687     1.897   85.952   84.881
LGA    E   111_A      E   111_A     0.910     0    0.029   0.687     1.963   90.476   83.598
LGA    V   112_A      V   112_A     0.590     0    0.021   1.105     2.763   90.476   83.197
LGA    N   113_A      N   113_A     0.605     0    0.035   0.629     1.874   90.476   86.071
LGA    L   114_A      L   114_A     0.640     0    0.030   0.028     0.674   90.476   90.476
LGA    T   115_A      T   115_A     0.534     0    0.035   0.972     2.159   90.476   84.286
LGA    D   116_A      D   116_A     1.093     0    0.273   1.079     3.483   88.214   73.810
LGA    R   117_A      R   117_A     2.604     0    0.276   1.015    15.044   46.429   20.519
LGA    S   118_A      S   118_A     5.429     0    0.166   0.244     6.717   32.976   27.063
LGA    A   119_A      A   119_A     9.576     0    0.100   0.103    12.514    1.905    1.524
LGA    F   120_A      F   120_A     7.831     0    0.566   1.221    16.382   17.976    6.797
LGA    Q   121_A      Q   121_A     2.633     0    0.059   0.716     6.876   52.857   40.317
LGA    Y   122_A      Y   122_A     1.848     0    0.331   0.408     3.293   67.143   70.357
LGA    P   123_A      P   123_A     0.828     0    0.074   0.341     1.137   90.476   87.891
LGA    L   124_A      L   124_A     0.643     0    0.070   0.105     1.178   90.476   88.214
LGA    L   125_A      L   125_A     0.651     0    0.053   0.776     2.657   90.476   84.107
LGA    I   126_A      I   126_A     0.634     0    0.069   0.115     0.924   90.476   90.476
LGA    G   127_A      G   127_A     0.434     0    0.059   0.059     0.519   97.619   97.619
LGA    S   128_A      S   128_A     0.789     0    0.034   0.637     1.480   90.476   87.460
LGA    E   129_A      E   129_A     1.117     0    0.013   0.924     4.114   88.214   67.566
LGA    A   130_A      A   130_A     0.738     0    0.027   0.028     0.808   92.857   92.381
LGA    L   131_A      L   131_A     0.446     0    0.043   0.047     0.701   92.857   96.429
LGA    K   132_A      K   132_A     0.670     0    0.013   0.754     2.135   90.476   84.762
LGA    R   133_A      R   133_A     0.759     0    0.041   0.685     1.659   90.476   87.273
LGA    F   134_A      F   134_A     0.675     0    0.041   0.317     1.391   90.476   90.563
LGA    D   135_A      D   135_A     0.866     0    0.053   0.939     3.179   88.214   75.774
LGA    A   136_A      A   136_A     0.737     0    0.057   0.073     1.035   88.214   88.667
LGA    L   137_A      L   137_A     1.196     0    0.125   0.210     2.599   85.952   75.417
LGA    V   138_A      V   138_A     0.419     0    0.024   0.024     0.702   95.238   93.197
LGA    D   139_A      D   139_A     0.565     0    0.018   0.123     1.047   95.238   91.726
LGA    P   140_A      P   140_A     0.774     0    0.047   0.071     1.224   90.476   87.891
LGA    S   141_A      S   141_A     0.426     0    0.037   0.035     0.571  100.000   96.825
LGA    L   142_A      L   142_A     0.432     0    0.020   0.048     0.826   95.238   94.048
LGA    K   143_A      K   143_A     1.045     0    0.102   0.678     1.594   83.690   81.481
LGA    Y   144_A      Y   144_A     1.211     0    0.016   1.007     8.735   81.429   48.889
LGA    A   145_A      A   145_A     1.413     0    0.024   0.027     1.672   81.429   79.714
LGA    A   146_A      A   146_A     1.186     0    0.050   0.058     1.485   81.429   81.429
LGA    G   147_A      G   147_A     2.400     0    0.108   0.108     3.797   59.881   59.881

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00     969    969  100.00               131
SUMMARY(RMSD_GDC):     2.483          2.451                  3.385           72.148   66.276

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  145  131    4.0    118    1.71    77.863    72.803     6.506

LGA_LOCAL      RMSD:   1.714  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.528  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   2.483  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.231379 * X  +   0.794097 * Y  +   0.562027 * Z  + -22.230299
  Y_new =  -0.609592 * X  +  -0.568570 * Y  +   0.552381 * Z  +  10.562298
  Z_new =   0.758196 * X  +  -0.214798 * Y  +   0.615630 * Z  +  -7.269324 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.933561 -0.860542 -0.335702   [DEG: -110.7849  -49.3054  -19.2343 ]
ZXZ:  2.347539  0.907611  1.846864   [DEG:  134.5041   52.0023  105.8175 ]
 
# END of job
