
#######################################################
#                                                     #
#                        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  134 ( 1051),  selected  134 , name one
# Molecule2: number of CA atoms  325 ( 2539),  selected  134 , 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:   130       7_A - 136_A       4.70     6.34
  LONGEST_CONTINUOUS_SEGMENT:   130       8_A - 137_A       5.00     6.28
  LCS_AVERAGE:     39.23

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84      40_A - 123_A       1.94     6.58
  LCS_AVERAGE:     18.22

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      74_A - 109_A       0.98     6.76
  LCS_AVERAGE:      5.95

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  134
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     A     7_A     A     7_A      4    8  130      3    4    5    7    9   20   46   77   88  100  106  113  117  119  120  121  123  124  125  125 
LCS_GDT     E     8_A     E     8_A      4    8  130      3    9   19   34   62   73   85   98  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     A     9_A     A     9_A      4    8  130      4    5   13   27   40   61   76   83  100  108  110  114  117  119  120  121  123  124  125  125 
LCS_GDT     E    10_A     E    10_A      4   21  130      4   11   28   43   64   80   89  102  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     P    11_A     P    11_A     20   22  130      6   28   60   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L    12_A     L    12_A     20   23  130     15   32   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     D    13_A     D    13_A     20   23  130     15   36   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     F    14_A     F    14_A     20   23  130     13   36   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    15_A     V    15_A     20   23  130     13   35   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    16_A     V    16_A     20   23  130     13   33   63   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     A    17_A     A    17_A     20   23  130     14   41   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     T    18_A     T    18_A     20   23  130     11   25   51   74   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     E    19_A     E    19_A     20   23  130      5   25   35   56   78   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     R    20_A     R    20_A     20   23  130      9   25   43   69   87   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     E    21_A     E    21_A     20   23  130      9   25   46   74   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     F    22_A     F    22_A     20   23  130      9   25   48   74   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     E    23_A     E    23_A     20   23  130     10   25   48   74   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     E    24_A     E    24_A     20   23  130     11   25   48   74   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    25_A     V    25_A     20   23  130      9   25   47   74   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L    26_A     L    26_A     20   23  130     11   25   47   74   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     A    27_A     A    27_A     20   23  130     11   25   45   73   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     I    28_A     I    28_A     20   23  130      9   24   45   74   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     S    29_A     S    29_A     20   23  130      9   25   48   74   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G    30_A     G    30_A     20   23  130      4   19   36   62   81   94  102  105  107  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G    31_A     G    31_A      4   23  130      3    4    4    5   29   50   61   81   90  104  109  114  117  119  120  121  123  124  125  125 
LCS_GDT     I    32_A     I    32_A      4   23  130      3    4   13   29   55   74   93  103  107  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     Y    33_A     Y    33_A      3   23  130      3    4    5   13   27   37   61   70   88  104  109  112  116  119  120  121  123  124  125  125 
LCS_GDT     G    34_A     G    34_A      3   23  130      3   13   43   62   80   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G    35_A     G    35_A      3   22  130      3    9   23   69   79   90  100  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L    36_A     L    36_A      4   22  130      3    3   13   53   66   85   99  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     D    37_A     D    37_A      4    6  130      5   24   52   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     Y    38_A     Y    38_A      4   12  130      3   10   15   34   67   90  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L    39_A     L    39_A      5   12  130      4    5    8    9   11   12   31   56   81   96  108  113  117  119  120  121  123  124  125  125 
LCS_GDT     P    40_A     P    40_A      5   84  130      4    5    8   19   26   50   79   93  100  107  111  113  117  119  120  121  123  124  125  125 
LCS_GDT     S    41_A     S    41_A      7   84  130      4    5   33   51   69   76   92  102  107  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     R    42_A     R    42_A      8   84  130      9   39   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     Y    43_A     Y    43_A      8   84  130      6    7   11   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     H    44_A     H    44_A      8   84  130      9   41   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     S    45_A     S    45_A      8   84  130      6   11   40   64   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     W    46_A     W    46_A      8   84  130      6   16   39   51   74   93  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L    47_A     L    47_A      8   84  130      6   16   35   52   76   93  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     R    48_A     R    48_A      8   84  130      4    7   24   58   70   90  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     D    49_A     D    49_A      8   84  130      4    5    9   20   51   83   97  103  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     P    50_A     P    50_A     20   84  130      3    6   29   58   77   93  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     D    51_A     D    51_A     21   84  130     10   39   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     R    52_A     R    52_A     21   84  130     10   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     T    53_A     T    53_A     21   84  130     10   41   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    54_A     V    54_A     21   84  130     15   41   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    55_A     V    55_A     21   84  130     15   41   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L    56_A     L    56_A     21   84  130     17   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     A    57_A     A    57_A     21   84  130     15   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     K    58_A     K    58_A     21   84  130     15   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     R    59_A     R    59_A     21   84  130     13   32   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     N    60_A     N    60_A     21   84  130      9   33   59   76   86   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G    61_A     G    61_A     21   84  130     13   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G    62_A     G    62_A     21   84  130     13   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    63_A     V    63_A     21   84  130     15   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     I    64_A     I    64_A     21   84  130     15   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     A    65_A     A    65_A     21   84  130     15   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L    66_A     L    66_A     21   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     E    67_A     E    67_A     21   84  130     17   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     S    68_A     S    68_A     21   84  130     15   41   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    69_A     V    69_A     21   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     N    70_A     N    70_A     21   84  130     12   41   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    71_A     V    71_A     21   84  130      7   40   61   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     I    72_A     I    72_A     18   84  130      7   31   59   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     D    73_A     D    73_A      4   84  130      3   10   38   63   85   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     A    74_A     A    74_A     36   84  130      8   37   63   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G    75_A     G    75_A     36   84  130      3   12   36   64   82   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     E    76_A     E    76_A     36   84  130      6   39   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     T    77_A     T    77_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    78_A     V    78_A     36   84  130      7   41   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L    79_A     L    79_A     36   84  130     15   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    80_A     V    80_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     E    81_A     E    81_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G    82_A     G    82_A     36   84  130      3   36   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L    83_A     L    83_A     36   84  130      9   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     R    84_A     R    84_A     36   84  130     12   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    85_A     V    85_A     36   84  130     15   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     A    86_A     A    86_A     36   84  130     15   40   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     P    87_A     P    87_A     36   84  130     13   37   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     W    88_A     W    88_A     36   84  130      8   36   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     E    89_A     E    89_A     36   84  130      9   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     R    90_A     R    90_A     36   84  130     15   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G    91_A     G    91_A     36   84  130     15   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     K    92_A     K    92_A     36   84  130      9   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G    93_A     G    93_A     36   84  130      9   40   63   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V    94_A     V    94_A     36   84  130     15   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     A    95_A     A    95_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G    96_A     G    96_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L    97_A     L    97_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L    98_A     L    98_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     Q    99_A     Q    99_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     R   100_A     R   100_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     F   101_A     F   101_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     C   102_A     C   102_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     S   103_A     S   103_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     Q   104_A     Q   104_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L   105_A     L   105_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V   106_A     V   106_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     K   107_A     K   107_A     36   84  130     18   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     R   108_A     R   108_A     36   84  130     15   41   63   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     Q   109_A     Q   109_A     36   84  130      6   37   61   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     H   110_A     H   110_A     35   84  130      2   22   50   68   79   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     P   111_A     P   111_A     12   84  130      3    6   20   50   67   83   98  102  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G   112_A     G   112_A     12   84  130     12   41   63   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V   113_A     V   113_A     12   84  130      3   34   63   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     K   114_A     K   114_A     12   84  130      6   27   62   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     V   115_A     V   115_A     12   84  130      7   27   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     A   116_A     A   116_A     12   84  130      7   41   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     R   117_A     R   117_A     12   84  130     17   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L   118_A     L   118_A     12   84  130      9   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     T   119_A     T   119_A     12   84  130     17   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     R   120_A     R   120_A     12   84  130      9   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     D   121_A     D   121_A     12   84  130     17   42   64   76   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     D   122_A     D   122_A     10   84  130      5   17   55   76   86   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     Q   123_A     Q   123_A      4   84  130      3    4   53   75   89   94  102  105  108  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     L   124_A     L   124_A      9   83  130      3    4    9    9   47   63   76   91  105  109  111  114  117  119  120  121  123  124  125  125 
LCS_GDT     G   125_A     G   125_A      9   11  130      5    8    9   18   20   25   47   79   88   97  105  111  116  119  120  121  123  124  125  125 
LCS_GDT     P   126_A     P   126_A      9   11  130      5    8    9    9   11   14   17   20   23   61   88   94  100  104  114  119  123  124  125  125 
LCS_GDT     R   127_A     R   127_A      9   11  130      5    8    9    9   11   14   17   20   38   51   63   73  100  104  111  113  119  122  125  125 
LCS_GDT     E   128_A     E   128_A      9   11  130      5    8    9    9   11   14   47   59   65   73  100  111  115  118  120  121  123  124  125  125 
LCS_GDT     L   129_A     L   129_A      9   11  130      5    8    9    9   11   13   17   22   56   61   80  101  112  116  119  120  123  124  125  125 
LCS_GDT     K   130_A     K   130_A      9   11  130      5    8    9    9   11   13   17   20   23   28   35   40   48   55   70  111  114  121  123  124 
LCS_GDT     K   131_A     K   131_A      9   11  130      5    8    9    9   11   13   17   20   23   28   35   43   76   87  111  119  120  124  125  125 
LCS_GDT     Y   132_A     Y   132_A      9   11  130      5    8    9    9   11   26   36   59   82   95  106  112  115  118  119  121  123  124  125  125 
LCS_GDT     R   133_A     R   133_A      3   11  130      3    4    5    9   11   14   17   20   23   30   67   74   93  100  107  116  117  120  123  124 
LCS_GDT     L   134_A     L   134_A      3    4  130      3    3    5    6    9   15   17   20   22   29   35   42   50   67   91  105  112  116  119  121 
LCS_GDT     I   135_A     I   135_A      3    4  130      3    3    3    4    9   15   17   20   23   29   37   45   56   77   96  106  112  116  119  122 
LCS_GDT     T   136_A     T   136_A      3    4  130      3    3    3    8   11   15   17   20   35   40   45   52   57   64   83   93  102  110  117  119 
LCS_GDT     K   137_A     K   137_A      3    4  130      0    4    4    4    4    6   11   12   16   20   23   24   26   49   54   71   75   81   87   92 
LCS_GDT     Q   138_A     Q   138_A      3    4   22      3    3    4    4    4    4    6    6    9   12   15   19   24   28   30   31   33   34   52   59 
LCS_GDT     G   139_A     G   139_A      3    4   16      3    3    4    4    4    4    4    6    9   12   17   19   24   28   30   31   33   34   36   36 
LCS_GDT     I   140_A     I   140_A      3    4   16      3    3    4    4    4    4    4    6    7   10   11   15   23   28   30   31   33   34   36   36 
LCS_AVERAGE  LCS_A:  21.13  (   5.95   18.22   39.23 )

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     18     42     64     76     89     94    102    105    108    109    111    114    117    119    120    121    123    124    125    125 
GDT PERCENT_AT   5.54  12.92  19.69  23.38  27.38  28.92  31.38  32.31  33.23  33.54  34.15  35.08  36.00  36.62  36.92  37.23  37.85  38.15  38.46  38.46
GDT RMS_LOCAL    0.30   0.69   0.98   1.16   1.49   1.62   1.85   1.96   2.16   2.14   2.27   2.56   2.75   2.95   3.06   3.15   3.44   3.56   3.71   3.71
GDT RMS_ALL_AT   6.66   6.65   6.62   6.65   6.48   6.51   6.47   6.45   6.53   6.45   6.51   6.52   6.57   6.55   6.54   6.51   6.49   6.49   6.50   6.50

# Checking swapping
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  F    22_A      F    22_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    24_A      E    24_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  F   101_A      F   101_A
#   possible swapping detected:  D   122_A      D   122_A
#   possible swapping detected:  Y   132_A      Y   132_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     7_A      A     7_A     8.460     0    0.651   0.621    10.275    3.690    2.952
LGA    E     8_A      E     8_A     6.829     0    0.617   0.465     9.533   13.452   10.688
LGA    A     9_A      A     9_A     8.584     0    0.149   0.177    10.134    6.905    5.524
LGA    E    10_A      E    10_A     6.127     0    0.049   0.433     8.483   23.333   14.709
LGA    P    11_A      P    11_A     2.468     0    0.021   0.096     4.231   55.714   53.537
LGA    L    12_A      L    12_A     1.982     0    0.090   0.222     2.806   70.833   64.940
LGA    D    13_A      D    13_A     1.646     0    0.015   0.832     4.431   75.000   62.917
LGA    F    14_A      F    14_A     1.478     0    0.040   0.162     1.984   77.143   74.416
LGA    V    15_A      V    15_A     1.280     0    0.043   1.057     2.373   81.429   76.667
LGA    V    16_A      V    16_A     1.248     0    0.040   0.052     1.426   81.429   81.429
LGA    A    17_A      A    17_A     0.969     0    0.057   0.076     1.427   83.690   85.048
LGA    T    18_A      T    18_A     2.026     0    0.026   0.059     2.332   68.929   69.456
LGA    E    19_A      E    19_A     3.444     0    0.035   0.609     4.998   50.119   42.275
LGA    R    20_A      R    20_A     2.767     0    0.150   1.146     4.304   57.143   51.602
LGA    E    21_A      E    21_A     2.223     0    0.012   1.142     2.570   64.762   70.688
LGA    F    22_A      F    22_A     2.087     0    0.022   0.320     3.260   64.762   61.385
LGA    E    23_A      E    23_A     2.344     0    0.099   1.371     5.861   64.762   55.238
LGA    E    24_A      E    24_A     2.031     0    0.030   0.975     2.789   68.810   69.365
LGA    V    25_A      V    25_A     2.154     0    0.053   0.141     2.645   64.881   65.986
LGA    L    26_A      L    26_A     2.479     0    0.048   1.091     4.200   60.952   59.464
LGA    A    27_A      A    27_A     2.651     0    0.097   0.108     2.720   57.143   57.143
LGA    I    28_A      I    28_A     2.541     0    0.230   1.183     4.127   59.048   61.905
LGA    S    29_A      S    29_A     2.293     0    0.259   0.612     3.693   62.857   59.921
LGA    G    30_A      G    30_A     3.830     0    0.642   0.642     5.181   36.071   36.071
LGA    G    31_A      G    31_A     7.256     0    0.095   0.095     7.825   12.976   12.976
LGA    I    32_A      I    32_A     5.244     0    0.020   0.211     6.279   20.476   33.810
LGA    Y    33_A      Y    33_A     7.635     0    0.492   1.273    16.981   12.738    4.365
LGA    G    34_A      G    34_A     3.431     0    0.518   0.518     6.138   33.929   33.929
LGA    G    35_A      G    35_A     3.721     0    0.675   0.675     6.289   35.238   35.238
LGA    L    36_A      L    36_A     4.261     0    0.669   1.221    10.707   52.143   28.274
LGA    D    37_A      D    37_A     1.823     0    0.171   1.171     3.370   68.810   63.036
LGA    Y    38_A      Y    38_A     4.388     0    0.695   0.541    15.628   38.690   13.889
LGA    L    39_A      L    39_A     6.739     0    0.653   0.708    12.842   24.524   12.619
LGA    P    40_A      P    40_A     6.335     0    0.051   0.088     9.468   22.024   13.878
LGA    S    41_A      S    41_A     4.898     0    0.143   0.170     5.574   37.738   33.968
LGA    R    42_A      R    42_A     0.428     0    0.154   0.736     6.079   82.024   59.697
LGA    Y    43_A      Y    43_A     2.105     0    0.034   1.317    10.451   68.810   37.103
LGA    H    44_A      H    44_A     0.550     0    0.069   1.221     7.829   88.214   51.571
LGA    S    45_A      S    45_A     2.265     0    0.054   0.152     3.442   63.333   62.540
LGA    W    46_A      W    46_A     3.391     0    0.206   0.280     5.684   41.429   44.830
LGA    L    47_A      L    47_A     3.466     0    0.073   0.914     4.715   45.119   51.012
LGA    R    48_A      R    48_A     3.673     0    0.529   1.294    10.230   43.452   30.000
LGA    D    49_A      D    49_A     4.522     0    0.328   0.477     7.700   44.167   28.988
LGA    P    50_A      P    50_A     3.494     0    0.444   1.100     8.199   47.143   31.701
LGA    D    51_A      D    51_A     1.274     0    0.054   0.160     2.250   79.286   76.131
LGA    R    52_A      R    52_A     0.971     0    0.103   1.043     5.143   83.690   61.948
LGA    T    53_A      T    53_A     1.194     0    0.062   0.125     1.762   81.429   80.204
LGA    V    54_A      V    54_A     1.122     0    0.048   0.069     1.374   83.690   82.721
LGA    V    55_A      V    55_A     0.574     0    0.095   1.117     2.842   95.238   85.918
LGA    L    56_A      L    56_A     0.632     0    0.020   0.112     0.916   90.476   90.476
LGA    A    57_A      A    57_A     0.944     0    0.046   0.043     1.077   85.952   85.048
LGA    K    58_A      K    58_A     1.490     0    0.033   0.322     1.883   77.143   76.667
LGA    R    59_A      R    59_A     2.155     0    0.047   1.102     6.203   66.786   55.931
LGA    N    60_A      N    60_A     2.995     0    0.068   0.871     3.516   57.143   52.738
LGA    G    61_A      G    61_A     2.193     0    0.086   0.086     2.393   66.786   66.786
LGA    G    62_A      G    62_A     2.168     0    0.056   0.056     2.246   68.810   68.810
LGA    V    63_A      V    63_A     1.426     0    0.078   0.147     1.933   79.286   77.755
LGA    I    64_A      I    64_A     1.296     0    0.050   0.076     1.607   81.429   80.357
LGA    A    65_A      A    65_A     0.929     0    0.019   0.029     1.069   88.214   86.857
LGA    L    66_A      L    66_A     0.466     0    0.113   0.998     3.155   92.857   81.190
LGA    E    67_A      E    67_A     0.852     0    0.057   0.989     2.801   90.476   82.804
LGA    S    68_A      S    68_A     1.178     0    0.069   0.522     2.228   85.952   81.667
LGA    V    69_A      V    69_A     0.947     0    0.050   0.235     2.260   85.952   80.408
LGA    N    70_A      N    70_A     1.500     0    0.027   0.395     2.180   77.143   72.976
LGA    V    71_A      V    71_A     1.827     0    0.063   1.111     4.262   66.905   58.980
LGA    I    72_A      I    72_A     2.142     0    0.264   1.057     4.908   70.833   62.738
LGA    D    73_A      D    73_A     3.154     0    0.564   0.636     5.364   49.762   42.738
LGA    A    74_A      A    74_A     1.533     0    0.080   0.085     2.498   77.143   74.667
LGA    G    75_A      G    75_A     3.171     0    0.680   0.680     3.171   61.190   61.190
LGA    E    76_A      E    76_A     1.165     0    0.106   0.710     4.147   83.929   65.238
LGA    T    77_A      T    77_A     0.561     0    0.046   1.017     3.573   90.595   83.878
LGA    V    78_A      V    78_A     1.194     0    0.093   1.031     3.437   88.214   79.592
LGA    L    79_A      L    79_A     0.962     0    0.030   1.383     3.815   88.214   76.905
LGA    V    80_A      V    80_A     0.759     0    0.200   0.170     1.984   83.810   81.565
LGA    E    81_A      E    81_A     1.465     0    0.111   0.676     6.995   81.548   55.926
LGA    G    82_A      G    82_A     1.327     0    0.046   0.046     1.819   77.143   77.143
LGA    L    83_A      L    83_A     1.235     0    0.294   0.286     2.047   77.262   79.345
LGA    R    84_A      R    84_A     1.079     0    0.070   0.815     3.594   83.690   64.502
LGA    V    85_A      V    85_A     1.321     0    0.034   0.156     1.748   77.143   78.980
LGA    A    86_A      A    86_A     1.959     0    0.020   0.040     2.046   72.857   71.238
LGA    P    87_A      P    87_A     2.422     0    0.091   0.123     3.042   62.857   58.367
LGA    W    88_A      W    88_A     2.434     0    0.159   1.357     8.559   60.952   37.177
LGA    E    89_A      E    89_A     1.431     0    0.027   0.356     3.486   79.286   72.328
LGA    R    90_A      R    90_A     1.302     0    0.058   1.028     6.658   81.429   59.610
LGA    G    91_A      G    91_A     1.183     0    0.035   0.035     1.334   83.690   83.690
LGA    K    92_A      K    92_A     0.904     0    0.050   0.880     4.492   85.952   76.720
LGA    G    93_A      G    93_A     1.369     0    0.112   0.112     1.369   85.952   85.952
LGA    V    94_A      V    94_A     0.654     0    0.043   0.063     0.959   90.476   90.476
LGA    A    95_A      A    95_A     0.591     0    0.020   0.036     0.750   90.476   90.476
LGA    G    96_A      G    96_A     0.677     0    0.034   0.034     0.732   90.476   90.476
LGA    L    97_A      L    97_A     0.581     0    0.021   0.106     1.236   90.476   89.345
LGA    L    98_A      L    98_A     0.765     0    0.024   1.390     2.841   90.476   81.012
LGA    Q    99_A      Q    99_A     0.790     0    0.014   1.505     6.136   90.476   71.270
LGA    R   100_A      R   100_A     0.548     0    0.040   1.097     4.044   90.476   68.095
LGA    F   101_A      F   101_A     0.539     0    0.028   0.162     0.653   90.476   94.805
LGA    C   102_A      C   102_A     0.560     0    0.080   0.751     3.705   95.238   85.794
LGA    S   103_A      S   103_A     0.600     0    0.038   0.688     2.347   90.476   86.190
LGA    Q   104_A      Q   104_A     0.570     0    0.049   1.020     2.711   90.476   84.815
LGA    L   105_A      L   105_A     0.638     0    0.033   1.374     3.122   90.476   78.155
LGA    V   106_A      V   106_A     0.341     0    0.044   0.062     0.577  100.000   97.279
LGA    K   107_A      K   107_A     0.572     0    0.035   0.171     2.095   92.857   85.714
LGA    R   108_A      R   108_A     1.513     0    0.044   1.402     7.761   75.000   52.511
LGA    Q   109_A      Q   109_A     1.721     0    0.628   1.128     3.811   63.452   64.392
LGA    H   110_A      H   110_A     3.436     0    0.397   1.214     4.365   48.333   44.810
LGA    P   111_A      P   111_A     4.999     0    0.639   0.557     6.627   28.333   27.483
LGA    G   112_A      G   112_A     1.871     0    0.265   0.265     2.425   75.119   75.119
LGA    V   113_A      V   113_A     1.783     0    0.139   0.976     4.054   70.833   61.224
LGA    K   114_A      K   114_A     2.189     0    0.027   0.726     3.816   64.762   61.640
LGA    V   115_A      V   115_A     1.579     0    0.081   1.167     3.381   79.405   72.177
LGA    A   116_A      A   116_A     0.860     0    0.029   0.055     1.268   85.952   86.857
LGA    R   117_A      R   117_A     1.013     0    0.026   0.247     2.419   88.214   78.571
LGA    L   118_A      L   118_A     1.510     0    0.111   1.343     3.993   72.976   65.357
LGA    T   119_A      T   119_A     1.488     0    0.026   1.046     3.527   81.429   71.293
LGA    R   120_A      R   120_A     1.765     0    0.063   1.381     7.561   70.833   49.048
LGA    D   121_A      D   121_A     1.570     0    0.699   1.210     3.704   65.595   66.369
LGA    D   122_A      D   122_A     3.087     0    0.056   1.243     7.595   61.190   37.083
LGA    Q   123_A      Q   123_A     1.974     0    0.605   1.242     7.522   55.119   40.899
LGA    L   124_A      L   124_A     8.021     0    0.583   0.587    10.532    8.095    4.643
LGA    G   125_A      G   125_A    10.439     0    0.151   0.151    11.254    0.714    0.714
LGA    P   126_A      P   126_A    13.649     0    0.106   0.312    15.149    0.000    0.000
LGA    R   127_A      R   127_A    14.111     0    0.117   1.231    16.014    0.000    0.000
LGA    E   128_A      E   128_A    10.398     0    0.035   1.154    11.541    0.000    0.847
LGA    L   129_A      L   129_A    11.596     0    0.088   1.396    13.114    0.000    0.179
LGA    K   130_A      K   130_A    14.785     0    0.034   0.760    18.848    0.000    0.000
LGA    K   131_A      K   131_A    12.408     0    0.080   1.057    15.097    0.000    0.000
LGA    Y   132_A      Y   132_A     9.323     0    0.582   1.474    10.309    0.714    8.333
LGA    R   133_A      R   133_A    14.206     0    0.653   1.395    23.607    0.000    0.000
LGA    L   134_A      L   134_A    16.361     0    0.577   1.277    20.539    0.000    0.000
LGA    I   135_A      I   135_A    15.717     0    0.024   0.658    17.948    0.000    0.000
LGA    T   136_A      T   136_A    17.897     0    0.582   0.923    20.078    0.000    0.000
LGA    K   137_A      K   137_A    22.029     0    0.684   0.976    25.940    0.000    0.000
LGA    Q   138_A      Q   138_A    24.818     0    0.664   1.052    29.442    0.000    0.000
LGA    G   139_A      G   139_A    26.301     0    0.614   0.614    26.301    0.000    0.000
LGA    I   140_A      I   140_A    23.773     0    0.152   0.689    25.304    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      134     536    536  100.00    1051   1051  100.00               325
SUMMARY(RMSD_GDC):     6.229          6.254                  6.811           24.626   22.326

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  134  325    4.0    105    1.96    26.462    25.939     5.106

LGA_LOCAL      RMSD:   1.956  Number of atoms:  105  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.453  Number of assigned atoms:  134 
Std_ASGN_ATOMS RMSD:   6.229  Standard rmsd on all 134 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.942235 * X  +   0.137928 * Y  +  -0.305236 * Z  +  17.040462
  Y_new =  -0.189185 * X  +  -0.532862 * Y  +  -0.824783 * Z  +   7.865031
  Z_new =  -0.276410 * X  +   0.834885 * Y  +  -0.475987 * Z  +  12.442207 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.198149  0.280056  2.088958   [DEG:  -11.3531   16.0460  119.6885 ]
ZXZ: -0.354451  2.066883 -0.319717   [DEG:  -20.3085  118.4237  -18.3184 ]
 
# END of job
