
#######################################################
#                                                     #
#                        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  187 ( 1458),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  936),  selected  126 , 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:    34     154_A - 187_A       4.78    32.17
  LCS_AVERAGE:     24.26

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      81_A - 100_A       1.82    29.68
  LCS_AVERAGE:     11.34

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      83_A - 100_A       0.89    29.43
  LCS_AVERAGE:      8.22

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     R    59_A     R    59_A      3    4   10      3    4    4    4    5    7   10   11   16   17   18   21   25   28   32   35   42   45   51   57 
LCS_GDT     R    60_A     R    60_A      3    4   10      3    4    4    4    5    6   10   11   12   13   14   19   24   26   32   34   36   41   45   50 
LCS_GDT     V    61_A     V    61_A      3    4   10      3    4    4    4    5    7   10   11   20   23   26   27   29   35   38   44   47   50   53   57 
LCS_GDT     K    62_A     K    62_A      3    4   10      1    3    3    5    6    7   12   16   20   23   26   27   32   37   38   44   47   50   53   57 
LCS_GDT     L    63_A     L    63_A      3    4   10      0    3    5    6    6    6    6    9   13   16   21   26   32   37   38   44   47   50   53   57 
LCS_GDT     R    64_A     R    64_A      4    5   10      3    4    4    5    5    6    6    9   10   15   17   24   32   37   38   44   47   50   53   57 
LCS_GDT     K    65_A     K    65_A      4    5   10      3    4    4    5    5    6    6    7   10   12   14   16   21   26   31   38   39   45   50   53 
LCS_GDT     H    66_A     H    66_A      4    5   11      3    4    4    5    5    6    6    7   10   12   14   14   15   15   21   26   30   34   43   49 
LCS_GDT     L    67_A     L    67_A      4    5   11      3    4    4    5    5    6    6    7   10   12   14   14   15   20   24   29   40   46   49   53 
LCS_GDT     V    68_A     V    68_A      4    5   11      1    3    4    5    5    6    6    6   10   12   14   16   21   30   33   36   47   49   53   57 
LCS_GDT     E    69_A     E    69_A      3    5   11      3    3    3    4    5    6    6    7   10   12   14   16   27   30   33   42   47   49   53   57 
LCS_GDT     I    70_A     I    70_A      4    5   33      3    4    4    6    6    6    7    9   15   20   23   26   32   37   38   44   47   50   53   57 
LCS_GDT     N    71_A     N    71_A      4    5   33      3    4    5    7   12   16   18   22   25   27   32   33   37   38   40   44   47   50   53   57 
LCS_GDT     A    72_A     A    72_A      5    5   33      3    4    5    7   10   14   17   19   25   27   32   33   37   38   40   44   47   50   53   57 
LCS_GDT     D    73_A     D    73_A      5    5   33      3    4    5    6    8   11   12   14   23   24   29   32   37   38   40   41   46   50   53   57 
LCS_GDT     E    74_A     E    74_A      5    5   33      3    4    5    5    6    7    8   10   21   22   24   25   29   36   38   41   45   50   53   57 
LCS_GDT     I    75_A     I    75_A      5    5   33      3    4    5    5    6    7    8   15   21   25   29   32   37   38   40   41   45   50   53   57 
LCS_GDT     T    76_A     T    76_A      5    5   33      3    3    5    5    8   11   21   22   25   27   32   33   37   38   40   44   47   50   53   57 
LCS_GDT     I    77_A     I    77_A      3    3   33      3    3    4   19   20   20   21   23   25   27   32   33   37   38   40   44   47   50   53   57 
LCS_GDT     T    78_A     T    78_A      3    3   33      1   17   17   19   20   20   21   23   25   27   32   33   37   38   40   44   47   50   53   57 
LCS_GDT     L    79_A     L    79_A      3    3   33      2    4    5   10   17   20   21   23   25   27   32   33   37   38   40   44   47   50   53   57 
LCS_GDT     S    80_A     S    80_A      3    5   33      3    3    5    6    8   11   15   20   25   27   32   33   37   38   40   44   47   50   53   57 
LCS_GDT     R    81_A     R    81_A      3   20   33      3    3    4    7    8   13   18   23   25   27   32   33   37   38   40   44   47   50   53   57 
LCS_GDT     Y    82_A     Y    82_A      3   20   33      3    3    3    5    8   11   18   23   25   27   32   33   37   38   40   44   47   50   53   57 
LCS_GDT     T    83_A     T    83_A     18   20   33      3    5    9   19   20   20   21   23   25   27   32   33   37   38   40   44   47   50   53   57 
LCS_GDT     S    84_A     S    84_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   44   48   52   57 
LCS_GDT     P    85_A     P    85_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   44   48   50   53 
LCS_GDT     E    86_A     E    86_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   53 
LCS_GDT     A    87_A     A    87_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   49   53 
LCS_GDT     L    88_A     L    88_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   50   57 
LCS_GDT     E    89_A     E    89_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     R    90_A     R    90_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     S    91_A     S    91_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   53 
LCS_GDT     I    92_A     I    92_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     T    93_A     T    93_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     A    94_A     A    94_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     L    95_A     L    95_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     A    96_A     A    96_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     A    97_A     A    97_A     18   20   33     15   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     M    98_A     M    98_A     18   20   33     11   17   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     T    99_A     T    99_A     18   20   33     15   17   17   19   20   20   21   23   25   27   31   33   37   38   40   41   43   48   48   48 
LCS_GDT     G   100_A     G   100_A     18   20   33      3   10   17   19   20   20   21   23   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     H   101_A     H   101_A      5   18   33      4    4    7   12   16   18   18   20   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     A   102_A     A   102_A      5   18   33      4    5    7   12   16   18   18   19   21   25   28   32   35   38   40   41   45   48   48   48 
LCS_GDT     P   103_A     P   103_A     12   18   33      4    9   12   14   16   18   18   19   21   25   25   28   30   33   35   40   45   48   48   48 
LCS_GDT     S   104_A     S   104_A     12   18   29      4    5    7   13   16   18   18   19   21   25   25   28   30   33   34   37   38   39   42   46 
LCS_GDT     S   105_A     S   105_A     13   18   29      4   11   13   14   16   18   18   19   21   25   25   28   31   34   37   41   45   48   48   48 
LCS_GDT     I   106_A     I   106_A     13   18   29      6   11   13   14   16   18   18   19   21   25   29   32   36   38   40   41   45   48   48   48 
LCS_GDT     K   107_A     K   107_A     13   18   29      6   11   13   14   16   18   18   19   21   25   25   28   31   33   37   41   45   48   48   48 
LCS_GDT     E   108_A     E   108_A     13   18   29      5   11   13   14   16   18   18   19   21   25   27   32   35   38   40   41   45   48   48   48 
LCS_GDT     E   109_A     E   109_A     13   18   29      5   11   13   14   16   18   18   22   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     C   110_A     C   110_A     13   18   29      6   11   13   14   16   18   18   19   21   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     V   111_A     V   111_A     13   18   29      6   11   13   14   16   18   18   19   21   25   29   32   36   38   40   41   45   48   48   48 
LCS_GDT     E   112_A     E   112_A     13   18   29      6   11   13   14   16   18   18   22   25   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     L   113_A     L   113_A     13   18   29      4   11   13   14   16   18   18   19   24   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     I   114_A     I   114_A     13   18   29      6   11   13   14   16   18   18   19   21   25   25   32   37   37   40   41   45   48   48   48 
LCS_GDT     D   115_A     D   115_A     13   18   29      4   11   13   14   16   18   18   19   22   27   32   33   37   38   40   41   45   48   48   48 
LCS_GDT     K   116_A     K   116_A     13   18   29      4   10   13   14   16   18   18   19   21   27   27   32   37   37   40   41   45   48   48   48 
LCS_GDT     L   117_A     L   117_A     13   18   29      4   11   13   14   16   18   18   19   21   25   25   28   30   36   38   40   45   48   48   49 
LCS_GDT     D   118_A     D   118_A      3   18   30      0    3    4   13   16   18   18   19   21   25   25   28   30   36   38   41   45   48   48   50 
LCS_GDT     W   119_A     W   119_A      3   15   32      1    3    3    7   10   13   17   20   22   25   26   28   30   33   38   41   46   50   53   57 
LCS_GDT     L   120_A     L   120_A      3    5   32      1    4    4    7    8   15   17   20   22   24   27   29   32   37   38   44   47   50   53   57 
LCS_GDT     R   121_A     R   121_A      3    5   32      1    3    4    6   11   17   20   22   24   25   29   32   33   37   38   44   47   50   53   57 
LCS_GDT     V   122_A     V   122_A      3    5   32      0    3    5    9   12   16   18   21   23   25   29   32   33   37   38   44   47   50   53   57 
LCS_GDT     E   123_A     E   123_A      3    5   32      3    4    4    7    8   14   16   21   23   25   29   32   33   37   38   44   47   50   53   57 
LCS_GDT     N   124_A     N   124_A      3    5   32      3    3    4    4    6   10   15   17   22   25   29   32   33   37   38   44   47   50   53   57 
LCS_GDT     D   125_A     D   125_A      3    4   32      3    3    4    6    6    7   10   16   20   26   29   32   33   37   38   44   47   50   53   57 
LCS_GDT     V   126_A     V   126_A      3    4   32      3    3    4    4    5    7   14   21   23   26   29   32   33   34   38   44   47   50   53   57 
LCS_GDT     I   127_A     I   127_A      3   17   32      3    3    4    7   11   17   18   21   24   26   29   32   33   37   38   44   47   50   53   57 
LCS_GDT     Q   128_A     Q   128_A     15   17   32     10   13   14   17   17   18   20   22   24   26   29   32   33   34   38   44   47   50   53   57 
LCS_GDT     Y   129_A     Y   129_A     15   17   32     10   13   14   17   17   18   20   22   24   26   28   32   33   34   35   38   41   45   50   53 
LCS_GDT     P   130_A     P   130_A     15   17   32     10   13   14   17   17   18   20   22   24   26   29   32   33   34   35   37   38   45   49   53 
LCS_GDT     T   131_A     T   131_A     15   17   32     10   13   14   17   17   18   20   22   24   26   29   32   33   34   35   37   47   48   52   53 
LCS_GDT     L   132_A     L   132_A     15   17   32     10   13   14   17   17   18   20   22   24   26   29   32   33   34   36   42   47   50   53   57 
LCS_GDT     S   133_A     S   133_A     15   17   32     10   13   14   17   17   18   20   22   24   26   29   32   33   34   35   37   38   43   47   53 
LCS_GDT     K   134_A     K   134_A     15   17   32     10   13   14   17   17   18   20   22   24   26   29   32   33   34   35   37   37   40   42   43 
LCS_GDT     L   135_A     L   135_A     15   17   32     10   13   14   17   17   18   20   22   24   26   29   32   33   34   35   42   47   48   52   56 
LCS_GDT     L   136_A     L   136_A     15   17   32     10   13   14   17   17   18   20   22   24   26   29   32   33   34   35   42   47   48   52   56 
LCS_GDT     E   137_A     E   137_A     15   17   32      6   13   14   17   17   18   20   22   24   26   29   32   33   34   35   37   37   40   45   47 
LCS_GDT     L   138_A     L   138_A     15   17   32      5   13   14   17   17   18   20   22   24   26   29   32   33   34   35   37   37   40   45   47 
LCS_GDT     Y   139_A     Y   139_A     15   17   32      4   13   14   17   17   18   20   22   24   26   29   32   33   34   35   42   47   48   52   56 
LCS_GDT     N   140_A     N   140_A     15   17   32     10   13   14   17   17   18   20   22   24   26   29   32   33   34   35   37   40   46   52   53 
LCS_GDT     S   141_A     S   141_A     15   17   32      4   12   14   17   17   18   20   22   24   26   29   32   33   34   35   37   37   40   45   47 
LCS_GDT     Q   142_A     Q   142_A     15   17   32      3    8   14   17   17   18   20   22   24   26   29   32   33   34   35   37   37   40   45   47 
LCS_GDT     N   143_A     N   143_A      5   17   32      3    4    8   14   16   18   20   22   24   26   29   32   33   34   35   42   47   48   52   56 
LCS_GDT     H   147_A     H   147_A      5   16   32      3    4    5    6    9   13   18   20   23   25   27   29   32   37   38   44   47   50   53   57 
LCS_GDT     L   148_A     L   148_A      7   16   32      3    7    9   14   16   17   19   22   23   24   27   29   32   37   38   44   47   50   53   57 
LCS_GDT     S   149_A     S   149_A     12   16   32      3   10   12   14   16   17   19   22   23   24   25   28   30   32   34   35   40   47   53   56 
LCS_GDT     I   150_A     I   150_A     12   16   32      3   10   12   15   16   17   19   22   23   24   25   28   30   32   34   35   37   40   45   50 
LCS_GDT     E   151_A     E   151_A     12   16   32      5   10   12   15   16   17   19   22   23   24   25   28   30   32   34   35   37   40   45   48 
LCS_GDT     K   152_A     K   152_A     12   16   32      3   10   12   15   16   17   19   22   23   24   27   29   30   33   34   35   37   40   45   50 
LCS_GDT     L   153_A     L   153_A     12   16   32      6   10   12   15   16   17   19   22   23   24   27   29   30   33   34   35   38   47   53   57 
LCS_GDT     I   154_A     I   154_A     12   16   34      6   10   12   15   16   17   19   22   23   24   25   28   30   33   34   35   37   40   45   48 
LCS_GDT     A   155_A     A   155_A     12   16   34      6   10   12   15   16   17   19   22   23   24   27   29   30   33   34   35   37   38   40   43 
LCS_GDT     G   156_A     G   156_A     12   16   34      6   10   12   15   16   17   19   22   23   25   27   29   30   33   34   35   37   42   45   52 
LCS_GDT     L   157_A     L   157_A     12   16   34      6   10   12   16   17   17   20   22   24   24   27   30   31   33   35   37   37   42   45   52 
LCS_GDT     A   158_A     A   158_A     12   16   34      6   10   12   15   16   17   19   22   23   24   27   30   31   33   34   35   36   38   40   43 
LCS_GDT     V   159_A     V   159_A     12   16   34      6   10   12   15   16   17   20   22   24   24   27   29   31   33   34   37   37   39   40   43 
LCS_GDT     R   160_A     R   160_A     12   16   34      4    8   12   15   16   17   19   22   24   26   29   32   33   34   35   37   37   42   45   52 
LCS_GDT     R   161_A     R   161_A      9   16   34      3    7   10   15   16   17   19   22   23   24   28   32   33   34   35   37   37   40   42   44 
LCS_GDT     K   162_A     K   162_A      8   15   34      5    7    8   10   13   15   18   22   23   26   29   32   33   34   35   37   37   40   42   52 
LCS_GDT     V   163_A     V   163_A      8   12   34      5    7    8   10   13   16   19   22   23   26   29   32   33   34   37   44   46   50   53   57 
LCS_GDT     C   164_A     C   164_A      8   12   34      5    7    8   10   13   14   18   22   23   24   27   30   31   32   34   39   43   48   53   57 
LCS_GDT     K   165_A     K   165_A      8   12   34      5    7    8   10   13   14   18   22   23   24   27   30   31   32   35   39   43   49   53   57 
LCS_GDT     L   166_A     L   166_A      8   12   34      4    7    8   10   13   14   16   20   22   24   27   30   32   37   38   44   47   50   53   57 
LCS_GDT     V   167_A     V   167_A      8   12   34      5    7    8   10   13   14   16   20   22   24   27   30   32   37   38   44   47   50   53   57 
LCS_GDT     Q   168_A     Q   168_A      8   12   34      4    7    8   10   13   16   17   20   22   24   27   30   31   33   38   44   47   50   53   57 
LCS_GDT     D   169_A     D   169_A      8   12   34      3    7    8   10   13   14   16   20   22   24   27   30   32   37   38   44   47   50   53   57 
LCS_GDT     G   170_A     G   170_A      8   12   34      3    7    8   10   13   14   15   18   22   24   27   30   31   37   38   44   47   50   53   57 
LCS_GDT     H   171_A     H   171_A      8   17   34      3    7    8   14   16   17   19   20   20   24   26   30   32   37   38   44   47   50   53   57 
LCS_GDT     I   172_A     I   172_A      8   17   34      4    7    8   13   16   17   19   20   20   23   26   30   32   37   38   44   47   50   53   57 
LCS_GDT     D   173_A     D   173_A     13   17   34      4   10   13   14   16   17   19   20   22   24   27   30   31   37   38   43   47   50   53   57 
LCS_GDT     E   174_A     E   174_A     13   17   34      9   11   13   14   16   17   19   20   20   23   26   30   32   37   38   44   47   50   53   57 
LCS_GDT     T   175_A     T   175_A     13   17   34      8   11   13   15   16   17   19   21   23   24   27   30   32   37   38   44   47   50   53   57 
LCS_GDT     V   176_A     V   176_A     13   17   34      9   11   13   14   16   17   19   22   23   24   27   30   32   37   38   44   47   50   53   57 
LCS_GDT     Y   177_A     Y   177_A     13   17   34      9   11   13   14   16   17   19   20   22   24   27   30   32   37   38   44   47   50   53   57 
LCS_GDT     R   178_A     R   178_A     13   17   34      9   11   13   14   16   17   19   20   22   24   27   30   32   37   38   44   47   50   53   57 
LCS_GDT     A   179_A     A   179_A     13   17   34      9   11   13   14   16   17   19   20   22   24   29   32   33   37   38   44   47   50   53   57 
LCS_GDT     L   180_A     L   180_A     13   17   34      9   11   13   14   16   17   19   21   22   26   29   32   33   37   38   44   47   50   53   57 
LCS_GDT     D   181_A     D   181_A     13   17   34      9   11   13   14   16   17   19   20   22   26   29   32   33   37   38   44   47   50   53   57 
LCS_GDT     E   182_A     E   182_A     13   17   34      9   11   13   14   16   17   19   20   22   24   27   30   33   37   38   44   47   50   53   57 
LCS_GDT     M   183_A     M   183_A     13   17   34      9   11   13   14   16   17   19   22   24   24   27   30   32   34   38   44   47   50   53   57 
LCS_GDT     A   184_A     A   184_A     13   17   34      4   11   14   17   17   18   20   22   24   26   28   32   33   34   35   38   43   48   53   57 
LCS_GDT     A   185_A     A   185_A     13   17   34      3    6   13   17   17   18   19   21   24   26   29   32   33   34   35   37   40   47   49   57 
LCS_GDT     G   186_A     G   186_A      4   17   34      3    3    4    7   12   15   19   20   22   24   27   30   31   33   34   37   37   40   45   51 
LCS_GDT     A   187_A     A   187_A      3   17   34      0    0    3    5    8   17   19   20   20   22   27   30   31   31   33   34   38   40   45   51 
LCS_AVERAGE  LCS_A:  14.61  (   8.22   11.34   24.26 )

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     15     17     17     19     20     20     21     23     25     27     32     33     37     38     40     44     47     50     53     57 
GDT PERCENT_AT  11.90  13.49  13.49  15.08  15.87  15.87  16.67  18.25  19.84  21.43  25.40  26.19  29.37  30.16  31.75  34.92  37.30  39.68  42.06  45.24
GDT RMS_LOCAL    0.29   0.48   0.48   0.80   0.97   0.97   1.32   1.96   2.42   3.16   3.83   3.86   4.37   4.72   4.81   5.79   5.96   6.24   6.54   6.88
GDT RMS_ALL_AT  30.11  29.49  29.49  29.00  28.89  28.89  29.20  29.27  29.05  30.25  28.82  28.90  28.15  28.42  27.94  14.72  14.69  14.84  14.67  14.61

# Checking swapping
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E   109_A      E   109_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  D   125_A      D   125_A
#   possible swapping detected:  D   173_A      D   173_A
#   possible swapping detected:  D   181_A      D   181_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    28.771     6    0.467   0.461    29.456    0.000    0.000
LGA    R    60_A      R    60_A    23.656     6    0.619   0.563    25.639    0.000    0.000
LGA    V    61_A      V    61_A    20.896     0    0.411   1.287    22.224    0.000    0.000
LGA    K    62_A      K    62_A    23.231     0    0.557   1.369    24.893    0.000    0.000
LGA    L    63_A      L    63_A    25.116     0    0.609   1.335    29.615    0.000    0.000
LGA    R    64_A      R    64_A    22.646     6    0.625   0.639    23.525    0.000    0.000
LGA    K    65_A      K    65_A    26.480     0    0.048   0.755    34.574    0.000    0.000
LGA    H    66_A      H    66_A    26.444     0    0.129   1.487    34.204    0.000    0.000
LGA    L    67_A      L    67_A    19.750     0    0.676   0.594    22.191    0.000    0.000
LGA    V    68_A      V    68_A    17.012     0    0.611   0.574    18.659    0.000    0.000
LGA    E    69_A      E    69_A    16.088     0    0.642   1.275    19.525    0.000    0.000
LGA    I    70_A      I    70_A    15.051     0    0.595   1.477    20.251    0.000    0.000
LGA    N    71_A      N    71_A     9.703     0    0.404   1.292    13.430    0.238    0.179
LGA    A    72_A      A    72_A     8.800     0    0.526   0.477     8.800    6.190    5.905
LGA    D    73_A      D    73_A     6.759     0    0.303   1.343     9.449   11.667    9.405
LGA    E    74_A      E    74_A     9.104     0    0.138   1.177    15.694    2.619    1.164
LGA    I    75_A      I    75_A     7.472     0    0.563   1.545    10.056   10.357    9.702
LGA    T    76_A      T    76_A     4.468     0    0.609   1.254     7.915   37.262   29.116
LGA    I    77_A      I    77_A     2.685     0    0.623   1.136     6.655   62.976   45.179
LGA    T    78_A      T    78_A     1.273     0    0.594   0.949     2.478   77.381   76.667
LGA    L    79_A      L    79_A     3.398     0    0.653   0.593     7.203   43.333   33.393
LGA    S    80_A      S    80_A     6.354     0    0.675   0.598     8.334   29.524   21.270
LGA    R    81_A      R    81_A     5.176     0    0.159   1.469    17.746   30.476   12.121
LGA    Y    82_A      Y    82_A     4.417     0    0.647   0.432    14.729   40.714   15.556
LGA    T    83_A      T    83_A     2.829     0    0.615   1.225     7.076   69.048   46.531
LGA    S    84_A      S    84_A     0.801     0    0.119   0.622     2.621   88.214   83.413
LGA    P    85_A      P    85_A     0.615     0    0.034   0.123     0.696   90.476   91.837
LGA    E    86_A      E    86_A     0.324     0    0.062   0.197     0.873  100.000   96.825
LGA    A    87_A      A    87_A     0.355     0    0.079   0.074     0.423  100.000  100.000
LGA    L    88_A      L    88_A     0.828     0    0.069   0.095     0.972   90.476   90.476
LGA    E    89_A      E    89_A     0.909     0    0.045   0.915     3.353   90.476   77.619
LGA    R    90_A      R    90_A     0.488     0    0.047   1.224     6.311   97.619   70.563
LGA    S    91_A      S    91_A     0.481     0    0.051   0.711     2.017   97.619   92.540
LGA    I    92_A      I    92_A     0.712     0    0.077   0.240     1.207   90.476   88.214
LGA    T    93_A      T    93_A     0.738     0    0.053   0.961     2.469   90.476   84.286
LGA    A    94_A      A    94_A     0.412     0    0.069   0.096     0.536   95.238   96.190
LGA    L    95_A      L    95_A     0.566     0    0.041   0.123     1.029   92.857   90.536
LGA    A    96_A      A    96_A     0.763     0    0.068   0.094     0.948   90.476   92.381
LGA    A    97_A      A    97_A     0.850     0    0.098   0.103     1.146   88.214   88.667
LGA    M    98_A      M    98_A     1.199     0    0.058   0.277     3.112   83.690   76.548
LGA    T    99_A      T    99_A     0.802     0    0.084   1.202     3.704   90.476   78.776
LGA    G   100_A      G   100_A     2.390     0    0.140   0.140     6.096   47.381   47.381
LGA    H   101_A      H   101_A     9.064     5    0.235   0.328    10.316    4.762    1.905
LGA    A   102_A      A   102_A    14.601     0    0.090   0.146    17.130    0.000    0.000
LGA    P   103_A      P   103_A    16.171     0    0.198   0.222    17.668    0.000    0.000
LGA    S   104_A      S   104_A    21.028     0    0.189   0.261    23.059    0.000    0.000
LGA    S   105_A      S   105_A    17.250     0    0.086   0.590    18.468    0.000    0.000
LGA    I   106_A      I   106_A    11.735     0    0.043   0.704    13.881    0.000    0.357
LGA    K   107_A      K   107_A    15.234     0    0.027   0.690    26.309    0.000    0.000
LGA    E   108_A      E   108_A    15.137     3    0.031   0.648    17.451    0.000    0.000
LGA    E   109_A      E   109_A    10.014     0    0.090   0.660    11.888    2.500    1.164
LGA    C   110_A      C   110_A     8.908     0    0.069   0.829    10.090    1.548    1.825
LGA    V   111_A      V   111_A    11.957     0    0.078   0.279    15.922    0.000    0.000
LGA    E   112_A      E   112_A     8.521     0    0.081   0.938    11.740    6.667    3.280
LGA    L   113_A      L   113_A     6.914     0    0.029   1.513     9.449    9.643   11.190
LGA    I   114_A      I   114_A    10.627     0    0.056   1.321    14.780    0.714    0.357
LGA    D   115_A      D   115_A     8.575     0    0.091   1.120    11.272    4.643    2.917
LGA    K   116_A      K   116_A     8.228     2    0.236   0.758    10.317    3.095    3.704
LGA    L   117_A      L   117_A    12.529     0    0.647   1.158    15.554    0.000    0.000
LGA    D   118_A      D   118_A    14.030     0    0.165   0.432    15.149    0.000    0.000
LGA    W   119_A      W   119_A    14.945     0    0.678   1.431    16.773    0.000    0.340
LGA    L   120_A      L   120_A    19.750     0    0.610   0.560    21.544    0.000    0.000
LGA    R   121_A      R   121_A    24.827     0    0.110   1.580    25.496    0.000    0.000
LGA    V   122_A      V   122_A    27.219     0    0.419   0.494    29.754    0.000    0.000
LGA    E   123_A      E   123_A    29.244     4    0.340   0.353    29.585    0.000    0.000
LGA    N   124_A      N   124_A    27.799     0    0.594   0.711    30.824    0.000    0.000
LGA    D   125_A      D   125_A    30.212     0    0.627   1.287    32.731    0.000    0.000
LGA    V   126_A      V   126_A    27.606     0    0.627   1.255    28.274    0.000    0.000
LGA    I   127_A      I   127_A    25.071     0    0.598   0.618    25.660    0.000    0.000
LGA    Q   128_A      Q   128_A    24.619     0    0.579   1.531    27.109    0.000    0.000
LGA    Y   129_A      Y   129_A    26.423     0    0.053   0.105    30.940    0.000    0.000
LGA    P   130_A      P   130_A    28.241     0    0.064   0.227    30.318    0.000    0.000
LGA    T   131_A      T   131_A    29.254     0    0.050   0.147    31.383    0.000    0.000
LGA    L   132_A      L   132_A    30.503     0    0.057   0.941    32.516    0.000    0.000
LGA    S   133_A      S   133_A    31.696     0    0.073   0.644    33.817    0.000    0.000
LGA    K   134_A      K   134_A    33.472     4    0.103   0.101    36.332    0.000    0.000
LGA    L   135_A      L   135_A    35.755     0    0.030   1.392    37.931    0.000    0.000
LGA    L   136_A      L   136_A    36.744     0    0.052   0.723    38.739    0.000    0.000
LGA    E   137_A      E   137_A    37.396     4    0.038   0.044    40.123    0.000    0.000
LGA    L   138_A      L   138_A    40.463     3    0.036   0.085    43.364    0.000    0.000
LGA    Y   139_A      Y   139_A    42.538     0    0.123   1.032    45.068    0.000    0.000
LGA    N   140_A      N   140_A    42.154     0    0.526   0.666    42.898    0.000    0.000
LGA    S   141_A      S   141_A    44.404     0    0.685   0.611    48.653    0.000    0.000
LGA    Q   142_A      Q   142_A    47.587     4    0.583   0.561    47.731    0.000    0.000
LGA    N   143_A      N   143_A    47.740     3    0.553   0.516    48.002    0.000    0.000
LGA    H   147_A      H   147_A    40.632     0    0.383   1.021    41.092    0.000    0.000
LGA    L   148_A      L   148_A    35.470     0    0.184   1.267    37.519    0.000    0.000
LGA    S   149_A      S   149_A    32.942     0    0.106   0.180    33.236    0.000    0.000
LGA    I   150_A      I   150_A    33.858     0    0.101   1.290    37.294    0.000    0.000
LGA    E   151_A      E   151_A    28.846     0    0.023   1.313    31.989    0.000    0.000
LGA    K   152_A      K   152_A    27.428     0    0.092   0.772    28.570    0.000    0.000
LGA    L   153_A      L   153_A    31.172     0    0.047   0.998    33.211    0.000    0.000
LGA    I   154_A      I   154_A    30.687     0    0.069   1.405    30.959    0.000    0.000
LGA    A   155_A      A   155_A    27.411     0    0.034   0.039    28.305    0.000    0.000
LGA    G   156_A      G   156_A    29.450     0    0.025   0.025    31.474    0.000    0.000
LGA    L   157_A      L   157_A    33.210     0    0.048   0.252    36.090    0.000    0.000
LGA    A   158_A      A   158_A    31.050     0    0.148   0.144    31.674    0.000    0.000
LGA    V   159_A      V   159_A    31.970     0    0.283   0.272    36.001    0.000    0.000
LGA    R   160_A      R   160_A    37.324     0    0.439   1.042    39.575    0.000    0.000
LGA    R   161_A      R   161_A    39.973     0    0.109   0.688    41.956    0.000    0.000
LGA    K   162_A      K   162_A    42.262     0    0.062   1.185    46.168    0.000    0.000
LGA    V   163_A      V   163_A    41.759     0    0.075   0.191    42.825    0.000    0.000
LGA    C   164_A      C   164_A    42.268     0    0.051   0.795    43.783    0.000    0.000
LGA    K   165_A      K   165_A    44.335     0    0.119   0.774    48.451    0.000    0.000
LGA    L   166_A      L   166_A    44.520     0    0.178   0.370    44.991    0.000    0.000
LGA    V   167_A      V   167_A    44.561     0    0.061   0.968    46.271    0.000    0.000
LGA    Q   168_A      Q   168_A    43.165     0    0.029   0.768    43.984    0.000    0.000
LGA    D   169_A      D   169_A    42.654     0    0.202   0.467    43.963    0.000    0.000
LGA    G   170_A      G   170_A    42.435     0    0.149   0.149    42.675    0.000    0.000
LGA    H   171_A      H   171_A    42.808     0    0.540   0.504    43.309    0.000    0.000
LGA    I   172_A      I   172_A    44.137     0    0.237   0.269    48.556    0.000    0.000
LGA    D   173_A      D   173_A    50.629     0    0.066   1.103    51.799    0.000    0.000
LGA    E   174_A      E   174_A    54.668     4    0.067   0.076    57.327    0.000    0.000
LGA    T   175_A      T   175_A    49.958     0    0.026   0.976    51.504    0.000    0.000
LGA    V   176_A      V   176_A    45.755     0    0.035   0.247    47.274    0.000    0.000
LGA    Y   177_A      Y   177_A    50.639     7    0.063   0.079    53.163    0.000    0.000
LGA    R   178_A      R   178_A    51.277     0    0.071   1.314    57.452    0.000    0.000
LGA    A   179_A      A   179_A    44.689     0    0.036   0.057    46.967    0.000    0.000
LGA    L   180_A      L   180_A    45.047     0    0.051   0.806    46.458    0.000    0.000
LGA    D   181_A      D   181_A    50.029     0    0.037   1.244    56.167    0.000    0.000
LGA    E   182_A      E   182_A    46.435     0    0.051   1.248    50.300    0.000    0.000
LGA    M   183_A      M   183_A    41.597     0    0.082   1.371    43.320    0.000    0.000
LGA    A   184_A      A   184_A    45.905     0    0.572   0.576    47.873    0.000    0.000
LGA    A   185_A      A   185_A    50.057     0    0.174   0.171    51.432    0.000    0.000
LGA    G   186_A      G   186_A    45.535     0    0.661   0.661    46.957    0.000    0.000
LGA    A   187_A      A   187_A    38.335     0    0.185   0.247    40.936    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     936    936  100.00               126
SUMMARY(RMSD_GDC):    13.289         13.160                 13.583           15.711   14.123

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     23    1.96    20.437    17.740     1.115

LGA_LOCAL      RMSD:   1.962  Number of atoms:   23  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  29.272  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.289  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.561030 * X  +   0.058436 * Y  +  -0.825730 * Z  + -50.497707
  Y_new =   0.783114 * X  +  -0.360754 * Y  +   0.506545 * Z  +  72.963715
  Z_new =  -0.268285 * X  +  -0.930829 * Y  +  -0.248156 * Z  +  92.770447 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.949142  0.271613 -1.831333   [DEG:   54.3818   15.5623 -104.9277 ]
ZXZ: -2.121048  1.821572 -2.860976   [DEG: -121.5271  104.3684 -163.9218 ]
 
# END of job
