
#######################################################
#                                                     #
#                        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  133 ( 1058),  selected  112 , name one
# Molecule2: number of CA atoms  126 (  936),  selected  112 , 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:    39     119_A - 160_A       4.80    32.51
  LCS_AVERAGE:     23.97

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      91_A - 118_A       1.90    18.07
  LCS_AVERAGE:     13.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      92_A - 110_A       0.95    18.08
  LONGEST_CONTINUOUS_SEGMENT:    19      93_A - 111_A       0.92    18.07
  LCS_AVERAGE:      8.39

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
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      4    4   11      3    3    4    4    4    7    7    9   10   11   14   15   15   17   22   23   25   28   33   35 
LCS_GDT     R    60_A     R    60_A      4    4   11      3    3    4    4    4    7    7    8   10   11   14   15   15   17   18   24   26   28   33   35 
LCS_GDT     V    61_A     V    61_A      4    4   11      3    3    4    5    8    8    9    9   10   11   15   19   22   24   27   29   30   33   36   39 
LCS_GDT     K    62_A     K    62_A      4    4   11      3    4    4    4    4    7    9    9   10   14   18   20   23   24   27   29   31   36   37   39 
LCS_GDT     L    63_A     L    63_A      3    3   11      3    4    4    4    4    5    7    9   10   11   14   19   23   24   27   29   31   36   37   39 
LCS_GDT     R    64_A     R    64_A      4    5   11      3    4    4    5    5    7    8   10   13   17   19   22   24   25   27   29   31   36   37   39 
LCS_GDT     K    65_A     K    65_A      4    5   11      3    4    4    6    6    8   10   12   15   17   20   22   24   25   27   29   31   36   37   39 
LCS_GDT     H    66_A     H    66_A      4    5   11      3    4    4    5    5    5    5    6   14   17   20   22   24   25   27   29   31   36   37   39 
LCS_GDT     L    67_A     L    67_A      4    5   11      3    4    4    5    5    7    7   10   13   16   18   20   24   25   27   29   31   36   37   39 
LCS_GDT     V    68_A     V    68_A      3    5   11      0    3    3    5    5    5    7   10   13   16   18   20   23   25   27   29   31   36   37   39 
LCS_GDT     E    69_A     E    69_A      3    6   11      1    3    4    4    5    6    7    7    8    8    8   11   14   16   16   19   25   29   32   37 
LCS_GDT     I    70_A     I    70_A      3    6   10      1    3    4    5    5    6    7    7    8    8    8    9   14   16   16   19   21   25   27   28 
LCS_GDT     N    71_A     N    71_A      3    6   11      3    3    4    5    5    6    7    7    9    9   10   12   14   18   18   26   27   30   32   35 
LCS_GDT     A    72_A     A    72_A      3    6   11      3    3    4    5    5    6    7    7   11   12   13   17   20   22   22   26   27   32   35   40 
LCS_GDT     D    73_A     D    73_A      3    7   11      3    3    5    7    8    8    9    9   11   12   13   17   20   22   22   26   28   32   36   40 
LCS_GDT     E    74_A     E    74_A      6    7   11      4    6    6    7    8    8    9    9   10   11   13   13   14   18   18   23   26   32   35   40 
LCS_GDT     I    75_A     I    75_A      6    7   11      4    6    6    7    8    8    9    9   10   12   13   16   19   20   23   27   28   32   36   40 
LCS_GDT     T    76_A     T    76_A      6    7   12      4    6    6    7    8    8    9   10   12   13   15   16   19   20   26   29   31   34   37   39 
LCS_GDT     I    77_A     I    77_A      6    7   21      4    6    6    7    8    8    9   10   14   17   20   22   24   25   27   29   31   36   37   39 
LCS_GDT     T    78_A     T    78_A      6    7   21      4    6    6    7   10   10   10   13   15   17   20   22   24   25   26   29   31   36   37   39 
LCS_GDT     L    79_A     L    79_A      6    7   21      4    6    6    7    8    8    9    9   12   17   19   20   22   24   25   28   29   30   34   35 
LCS_GDT     S    80_A     S    80_A      3    5   21      0    3    3    4    4    8    9   12   14   17   19   20   22   24   25   27   28   29   31   33 
LCS_GDT     R    81_A     R    81_A      3    9   21      0    3    4    7    9    9   10   12   14   17   19   20   22   24   25   26   28   29   31   33 
LCS_GDT     Y    82_A     Y    82_A      8    9   21      4    7    7    8    9   10   11   13   14   17   19   20   22   24   26   28   29   31   34   36 
LCS_GDT     T    83_A     T    83_A      8    9   21      6    7    7    8   10   10   11   13   15   17   20   22   24   25   26   29   31   36   37   39 
LCS_GDT     S    84_A     S    84_A      8    9   21      6    7    7    8   10   10   11   13   15   17   20   22   24   25   26   29   31   36   37   39 
LCS_GDT     P    85_A     P    85_A      8    9   21      6    7    7    8   10   10   11   13   15   17   20   22   24   25   27   29   31   37   38   43 
LCS_GDT     E    86_A     E    86_A      8    9   21      6    7    7    8   10   10   11   13   15   17   20   22   24   25   27   29   33   37   41   43 
LCS_GDT     A    87_A     A    87_A      8    9   22      6    7    7    8   10   10   11   13   15   17   20   22   24   25   27   30   31   36   41   43 
LCS_GDT     L    88_A     L    88_A      8    9   33      6    7    7    8   10   10   11   13   15   17   20   22   24   27   30   32   35   40   49   53 
LCS_GDT     E    89_A     E    89_A      8    9   33      3    3    7    8   10   10   11   13   15   17   20   22   24   27   30   32   35   39   43   45 
LCS_GDT     R    90_A     R    90_A      3    9   33      3    3    4    6    6    9   11   13   15   17   20   25   33   35   42   44   47   49   51   53 
LCS_GDT     S    91_A     S    91_A      3   28   33      1    3    3    3   11   17   20   26   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     I    92_A     I    92_A     19   28   33      4    4   10   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     T    93_A     T    93_A     19   28   33      6   12   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     A    94_A     A    94_A     19   28   33     10   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     L    95_A     L    95_A     19   28   33     10   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     A    96_A     A    96_A     19   28   33     10   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     A    97_A     A    97_A     19   28   33      4   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     M    98_A     M    98_A     19   28   33      4   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     T    99_A     T    99_A     19   28   33      4   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     G   100_A     G   100_A     19   28   33      4   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     H   101_A     H   101_A     19   28   33     10   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     A   102_A     A   102_A     19   28   33      6   15   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     P   103_A     P   103_A     19   28   33     10   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     S   104_A     S   104_A     19   28   33     10   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     S   105_A     S   105_A     19   28   33     10   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     I   106_A     I   106_A     19   28   33     10   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     K   107_A     K   107_A     19   28   33     10   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     E   108_A     E   108_A     19   28   33     10   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     E   109_A     E   109_A     19   28   33      7   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     C   110_A     C   110_A     19   28   33      6    9   19   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     V   111_A     V   111_A     19   28   33      6    8   12   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     E   112_A     E   112_A      9   28   33      6   11   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     L   113_A     L   113_A      9   28   33      6    8   21   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     I   114_A     I   114_A      9   28   33      6   16   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     D   115_A     D   115_A      9   28   33      6    8   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     K   116_A     K   116_A      9   28   33      4   12   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     L   117_A     L   117_A      9   28   33      4    5   13   20   26   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     D   118_A     D   118_A      5   28   33      3    4    6   10   13   25   28   30   32   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     W   119_A     W   119_A      4   17   39      3    5    8   14   18   22   24   26   28   30   33   38   40   43   45   46   47   49   51   53 
LCS_GDT     L   120_A     L   120_A      8   22   39      3    7   10   14   19   22   24   26   28   30   31   34   37   42   45   46   47   49   51   53 
LCS_GDT     R   121_A     R   121_A      8   23   39      3    7   16   16   19   22   24   26   28   30   31   34   34   36   37   38   39   41   43   46 
LCS_GDT     V   122_A     V   122_A      8   23   39      4   12   14   16   18   22   24   26   28   30   31   34   34   36   37   38   39   39   41   43 
LCS_GDT     E   123_A     E   123_A      8   23   39      4    7   13   18   19   22   24   26   28   30   31   34   34   36   37   38   39   39   41   43 
LCS_GDT     N   124_A     N   124_A     13   23   39      4    9   13   18   19   20   23   26   29   31   32   34   34   36   37   38   39   39   41   43 
LCS_GDT     D   125_A     D   125_A     13   23   39      4    7   13   18   19   22   24   26   29   31   32   34   34   36   37   38   39   39   41   43 
LCS_GDT     V   126_A     V   126_A     15   23   39      3    8   15   18   19   22   24   26   29   31   32   34   34   36   37   38   39   39   41   43 
LCS_GDT     I   127_A     I   127_A     15   23   39      7   15   16   18   19   22   24   26   29   31   32   34   34   36   37   38   43   48   51   53 
LCS_GDT     Q   128_A     Q   128_A     15   23   39      9   15   16   18   19   22   24   26   29   31   32   34   34   36   37   42   46   49   51   53 
LCS_GDT     Y   129_A     Y   129_A     15   23   39      9   15   16   18   19   22   24   26   29   31   35   35   40   40   42   44   47   49   51   53 
LCS_GDT     P   130_A     P   130_A     15   23   39      7   15   16   18   19   22   24   26   29   31   32   34   34   36   37   38   39   45   49   50 
LCS_GDT     T   131_A     T   131_A     15   23   39      9   15   16   18   19   22   24   26   29   31   32   34   34   36   42   44   47   49   51   53 
LCS_GDT     L   132_A     L   132_A     15   23   39      9   15   16   18   19   25   28   30   32   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     S   133_A     S   133_A     15   23   39      9   15   16   18   19   22   24   28   30   34   35   37   40   41   45   46   47   49   51   53 
LCS_GDT     K   134_A     K   134_A     15   23   39      9   15   16   18   19   22   24   26   29   31   35   35   37   40   44   46   47   49   51   53 
LCS_GDT     L   135_A     L   135_A     15   23   39      9   15   16   18   19   22   26   30   32   34   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     L   136_A     L   136_A     15   23   39      9   15   22   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     E   137_A     E   137_A     15   23   39      7   15   16   18   19   24   28   29   30   34   35   37   40   43   45   46   47   49   51   53 
LCS_GDT     L   138_A     L   138_A     15   23   39      7   15   16   18   21   25   28   30   32   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     Y   139_A     Y   139_A     15   23   39      6   15   17   25   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     N   140_A     N   140_A     15   23   39      9   15   16   18   19   22   28   31   33   34   35   37   39   42   45   46   47   49   50   53 
LCS_GDT     S   141_A     S   141_A     15   23   39      4    4   10   16   27   28   29   31   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     Q   142_A     Q   142_A      8   23   39      4    6   18   24   26   27   28   31   33   34   35   37   40   42   45   46   47   48   50   53 
LCS_GDT     N   143_A     N   143_A      4   23   39      3    4   15   18   19   22   24   26   29   31   32   34   35   36   37   39   42   44   48   50 
LCS_GDT     H   147_A     H   147_A     11   14   39      5   10   11   13   15   16   21   26   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     L   148_A     L   148_A     11   14   39      3    4    4   10   12   15   17   23   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     S   149_A     S   149_A     11   14   39      9   10   11   13   15   16   21   26   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     I   150_A     I   150_A     11   14   39      9   10   11   13   15   16   21   26   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     E   151_A     E   151_A     11   14   39      9   10   11   13   15   16   21   26   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     K   152_A     K   152_A     11   14   39      9   10   11   13   15   16   21   26   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     L   153_A     L   153_A     11   14   39      9   10   11   13   15   16   21   26   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     I   154_A     I   154_A     11   14   39      9   10   11   13   15   16   21   26   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     A   155_A     A   155_A     11   14   39      9   10   11   13   15   16   21   26   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     G   156_A     G   156_A     11   14   39      9   10   11   13   15   16   21   26   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     L   157_A     L   157_A     11   14   39      9   10   11   13   15   16   21   26   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     A   158_A     A   158_A     10   14   39      4   10   11   13   15   16   21   26   29   31   32   34   34   36   37   38   39   39   40   41 
LCS_GDT     V   159_A     V   159_A      5   14   39      3    3    5    9   13   15   15   16   20   24   28   34   34   36   37   38   39   39   40   41 
LCS_GDT     R   160_A     R   160_A     11   14   39      8   15   16   18   19   22   24   26   27   28   31   34   34   35   36   38   39   39   40   41 
LCS_GDT     R   161_A     R   161_A     11   14   38      8   11   12   13   13   15   15   19   24   27   31   34   34   35   35   36   36   39   41   43 
LCS_GDT     K   162_A     K   162_A     11   14   31      8   11   12   13   17   19   22   25   28   30   31   34   34   35   35   36   36   39   41   43 
LCS_GDT     V   163_A     V   163_A     11   14   31      8   11   12   13   17   19   22   25   28   30   31   34   34   35   35   36   36   39   41   44 
LCS_GDT     C   164_A     C   164_A     11   14   31      8   11   12   13   13   16   19   24   28   30   31   34   34   35   35   38   42   44   47   51 
LCS_GDT     K   165_A     K   165_A     11   14   31      8   11   12   13   13   15   15   16   19   21   25   27   29   31   35   40   42   47   49   53 
LCS_GDT     L   166_A     L   166_A     11   14   31      8   11   12   13   13   15   15   18   19   21   23   25   28   34   37   41   43   47   49   53 
LCS_GDT     V   167_A     V   167_A     11   14   31      8   11   12   13   13   15   15   18   19   26   31   35   40   43   45   46   47   49   51   53 
LCS_GDT     Q   168_A     Q   168_A     11   14   31      8   11   12   13   13   15   22   23   27   32   35   38   40   43   45   46   47   49   51   53 
LCS_GDT     D   169_A     D   169_A     11   14   31      8   11   12   13   13   15   15   18   27   33   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     G   170_A     G   170_A     11   14   31      8   11   12   13   13   15   15   16   19   21   34   36   40   43   45   46   47   49   51   53 
LCS_GDT     H   171_A     H   171_A      3    5   31      3    3    4    5    6    9   11   15   19   21   26   33   40   43   45   46   47   49   51   53 
LCS_GDT     I   172_A     I   172_A      3    5   31      3    3    4    5    8   25   28   30   33   35   36   38   40   43   45   46   47   49   51   53 
LCS_GDT     D   173_A     D   173_A      3    5   30      3    3    4    5    8   10   11   20   32   35   36   38   40   43   45   46   47   49   51   53 
LCS_AVERAGE  LCS_A:  15.31  (   8.39   13.57   23.97 )

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     10     16     22     25     27     28     29     31     33     35     36     38     40     43     45     46     47     49     51     53 
GDT PERCENT_AT   7.94  12.70  17.46  19.84  21.43  22.22  23.02  24.60  26.19  27.78  28.57  30.16  31.75  34.13  35.71  36.51  37.30  38.89  40.48  42.06
GDT RMS_LOCAL    0.33   0.70   1.08   1.19   1.36   1.45   1.60   1.90   2.19   2.64   2.82   3.38   3.54   4.09   4.36   4.45   4.73   4.91   5.43   5.60
GDT RMS_ALL_AT  17.91  17.97  18.16  18.04  18.11  18.31  18.21  18.32  18.22  17.93  17.86  17.54  17.66  17.41  17.39  17.42  17.34  17.41  17.24  17.31

# Checking swapping
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  D   125_A      D   125_A
#   possible swapping detected:  D   169_A      D   169_A
#   possible swapping detected:  D   173_A      D   173_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    22.558     6    0.552   0.565    25.417    0.000    0.000
LGA    R    60_A      R    60_A    23.142     6    0.491   0.453    23.858    0.000    0.000
LGA    V    61_A      V    61_A    25.752     0    0.566   0.551    27.460    0.000    0.000
LGA    K    62_A      K    62_A    31.875     0    0.618   0.643    43.636    0.000    0.000
LGA    L    63_A      L    63_A    31.101     0    0.593   0.511    32.743    0.000    0.000
LGA    R    64_A      R    64_A    31.589     6    0.585   0.587    32.153    0.000    0.000
LGA    K    65_A      K    65_A    35.335     0    0.050   0.793    43.965    0.000    0.000
LGA    H    66_A      H    66_A    37.867     0    0.161   1.255    43.448    0.000    0.000
LGA    L    67_A      L    67_A    32.844     0    0.610   0.583    36.032    0.000    0.000
LGA    V    68_A      V    68_A    27.826     0    0.608   0.946    29.602    0.000    0.000
LGA    E    69_A      E    69_A    31.616     0    0.640   0.563    38.906    0.000    0.000
LGA    I    70_A      I    70_A    29.736     0    0.553   0.986    30.792    0.000    0.000
LGA    N    71_A      N    71_A    27.982     0    0.413   0.388    31.264    0.000    0.000
LGA    A    72_A      A    72_A    26.407     0    0.498   0.460    27.127    0.000    0.000
LGA    D    73_A      D    73_A    25.336     0    0.392   1.307    27.123    0.000    0.000
LGA    E    74_A      E    74_A    26.473     0    0.619   1.288    29.655    0.000    0.000
LGA    I    75_A      I    75_A    22.543     0    0.103   0.196    23.659    0.000    0.000
LGA    T    76_A      T    76_A    20.956     0    0.118   1.211    21.687    0.000    0.000
LGA    I    77_A      I    77_A    21.259     0    0.046   1.036    23.859    0.000    0.000
LGA    T    78_A      T    78_A    22.544     0    0.408   0.443    25.155    0.000    0.000
LGA    L    79_A      L    79_A    26.782     0    0.663   0.657    30.308    0.000    0.000
LGA    S    80_A      S    80_A    31.412     0    0.671   0.602    32.860    0.000    0.000
LGA    R    81_A      R    81_A    30.961     0    0.695   1.597    37.690    0.000    0.000
LGA    Y    82_A      Y    82_A    31.185     0    0.686   0.492    40.838    0.000    0.000
LGA    T    83_A      T    83_A    25.137     0    0.040   0.055    26.894    0.000    0.000
LGA    S    84_A      S    84_A    25.694     0    0.031   0.051    27.590    0.000    0.000
LGA    P    85_A      P    85_A    20.476     0    0.104   0.156    24.433    0.000    0.000
LGA    E    86_A      E    86_A    22.953     0    0.145   0.797    29.147    0.000    0.000
LGA    A    87_A      A    87_A    21.360     0    0.060   0.058    22.822    0.000    0.000
LGA    L    88_A      L    88_A    14.769     0    0.613   1.443    17.498    0.000    0.000
LGA    E    89_A      E    89_A    13.696     0    0.568   0.937    18.746    0.000    0.000
LGA    R    90_A      R    90_A    10.387     0    0.625   1.047    18.599    1.548    0.563
LGA    S    91_A      S    91_A     5.119     0    0.026   0.620     6.280   34.405   33.413
LGA    I    92_A      I    92_A     1.899     0    0.590   1.553     8.608   79.286   48.452
LGA    T    93_A      T    93_A     0.874     0    0.063   1.060     3.046   85.952   77.347
LGA    A    94_A      A    94_A     1.550     0    0.170   0.183     2.009   81.548   78.190
LGA    L    95_A      L    95_A     0.910     0    0.109   0.210     1.927   88.214   82.738
LGA    A    96_A      A    96_A     0.800     0    0.033   0.056     1.355   85.952   86.857
LGA    A    97_A      A    97_A     1.722     0    0.091   0.118     2.314   72.976   72.952
LGA    M    98_A      M    98_A     1.266     0    0.042   0.737     4.342   77.381   70.238
LGA    T    99_A      T    99_A     1.474     0    0.026   0.136     1.608   79.286   78.980
LGA    G   100_A      G   100_A     1.540     0    0.052   0.052     1.687   77.143   77.143
LGA    H   101_A      H   101_A     0.844     5    0.018   0.045     1.340   90.476   44.333
LGA    A   102_A      A   102_A     0.936     0    0.077   0.116     1.277   90.476   88.667
LGA    P   103_A      P   103_A     0.706     0    0.143   0.432     1.261   90.476   89.184
LGA    S   104_A      S   104_A     0.798     0    0.019   0.683     2.160   90.476   86.190
LGA    S   105_A      S   105_A     0.613     0    0.062   0.662     2.792   95.238   88.095
LGA    I   106_A      I   106_A     0.556     0    0.055   0.233     1.763   90.476   90.655
LGA    K   107_A      K   107_A     1.153     0    0.056   0.748     5.123   81.548   63.598
LGA    E   108_A      E   108_A     1.092     3    0.028   0.702     3.002   81.429   51.799
LGA    E   109_A      E   109_A     1.165     0    0.213   0.828     3.760   83.690   72.275
LGA    C   110_A      C   110_A     2.316     0    0.062   0.707     4.933   68.810   59.444
LGA    V   111_A      V   111_A     1.803     0    0.029   0.120     3.374   77.143   67.551
LGA    E   112_A      E   112_A     1.293     0    0.097   0.958     5.124   79.286   61.005
LGA    L   113_A      L   113_A     1.894     0    0.049   1.480     6.784   72.976   57.143
LGA    I   114_A      I   114_A     0.974     0    0.099   0.163     2.471   83.690   79.405
LGA    D   115_A      D   115_A     1.615     0    0.053   0.881     2.736   72.976   68.929
LGA    K   116_A      K   116_A     1.410     2    0.044   0.232     2.515   71.190   61.852
LGA    L   117_A      L   117_A     3.206     0    0.030   0.205     5.148   47.262   42.381
LGA    D   118_A      D   118_A     6.009     0    0.391   0.591     9.417   19.762   11.845
LGA    W   119_A      W   119_A     8.689     0    0.053   0.355    15.711    3.929    1.122
LGA    L   120_A      L   120_A    11.394     0    0.065   0.113    14.440    0.119    0.774
LGA    R   121_A      R   121_A    18.135     0    0.096   1.033    22.388    0.000    0.000
LGA    V   122_A      V   122_A    23.025     0    0.123   0.222    26.353    0.000    0.000
LGA    E   123_A      E   123_A    28.630     4    0.638   0.679    29.874    0.000    0.000
LGA    N   124_A      N   124_A    28.302     0    0.100   0.849    34.596    0.000    0.000
LGA    D   125_A      D   125_A    25.639     0    0.181   0.432    27.612    0.000    0.000
LGA    V   126_A      V   126_A    19.310     0    0.071   0.135    21.806    0.000    0.000
LGA    I   127_A      I   127_A    15.572     0    0.072   0.128    17.428    0.000    0.000
LGA    Q   128_A      Q   128_A    13.280     0    0.057   1.372    20.181    0.000    0.000
LGA    Y   129_A      Y   129_A    10.310     0    0.015   1.379    12.564    0.000    0.000
LGA    P   130_A      P   130_A    15.769     0    0.076   0.163    19.065    0.000    0.000
LGA    T   131_A      T   131_A    14.511     0    0.024   0.076    17.575    0.000    0.000
LGA    L   132_A      L   132_A     7.010     0    0.037   0.169     9.677   13.452   17.679
LGA    S   133_A      S   133_A     8.709     0    0.033   0.656    12.035    3.333    2.222
LGA    K   134_A      K   134_A    12.564     4    0.037   0.035    15.394    0.000    0.000
LGA    L   135_A      L   135_A     8.653     0    0.034   1.373    12.377   11.548    6.131
LGA    L   136_A      L   136_A     2.210     0    0.039   0.499     6.483   50.595   42.976
LGA    E   137_A      E   137_A     7.862     4    0.032   0.030    10.789   12.857    5.714
LGA    L   138_A      L   138_A     7.838     3    0.000   0.014    10.032   15.476    7.738
LGA    Y   139_A      Y   139_A     3.464     0    0.061   1.339    13.423   54.286   24.444
LGA    N   140_A      N   140_A     3.874     0    0.159   0.148     7.534   45.833   29.821
LGA    S   141_A      S   141_A     3.407     0    0.044   0.055     4.848   65.714   54.286
LGA    Q   142_A      Q   142_A     3.772     4    0.240   0.239     6.906   35.714   20.000
LGA    N   143_A      N   143_A     7.945     3    0.210   0.198     9.639    6.905    4.048
LGA    H   147_A      H   147_A    17.760     0    0.132   1.182    20.791    0.000    0.000
LGA    L   148_A      L   148_A    16.935     0    0.076   1.319    17.974    0.000    0.000
LGA    S   149_A      S   149_A    18.035     0    0.231   0.610    21.658    0.000    0.000
LGA    I   150_A      I   150_A    15.081     0    0.092   1.260    17.060    0.000    0.000
LGA    E   151_A      E   151_A    21.322     0    0.060   1.018    23.653    0.000    0.000
LGA    K   152_A      K   152_A    21.968     0    0.065   0.764    25.995    0.000    0.000
LGA    L   153_A      L   153_A    16.746     0    0.061   1.440    18.104    0.000    0.000
LGA    I   154_A      I   154_A    18.800     0    0.016   0.701    21.849    0.000    0.000
LGA    A   155_A      A   155_A    24.823     0    0.047   0.068    26.274    0.000    0.000
LGA    G   156_A      G   156_A    23.432     0    0.102   0.102    24.242    0.000    0.000
LGA    L   157_A      L   157_A    21.481     0    0.171   0.175    23.302    0.000    0.000
LGA    A   158_A      A   158_A    25.439     0    0.331   0.316    26.677    0.000    0.000
LGA    V   159_A      V   159_A    25.854     0    0.559   1.352    27.862    0.000    0.000
LGA    R   160_A      R   160_A    26.677     0    0.220   1.278    30.058    0.000    0.000
LGA    R   161_A      R   161_A    26.318     0    0.050   1.330    37.372    0.000    0.000
LGA    K   162_A      K   162_A    25.447     0    0.071   0.726    33.681    0.000    0.000
LGA    V   163_A      V   163_A    20.498     0    0.065   0.168    23.581    0.000    0.000
LGA    C   164_A      C   164_A    16.984     0    0.033   0.771    18.569    0.000    0.000
LGA    K   165_A      K   165_A    17.417     0    0.041   0.600    20.908    0.000    0.000
LGA    L   166_A      L   166_A    15.290     0    0.078   0.172    21.330    0.000    0.000
LGA    V   167_A      V   167_A    10.809     0    0.027   0.084    12.677    1.548    1.088
LGA    Q   168_A      Q   168_A    10.336     0    0.059   0.708    14.219    0.476    0.212
LGA    D   169_A      D   169_A     9.431     0    0.197   1.074    14.218    3.452    1.726
LGA    G   170_A      G   170_A     8.214     0    0.103   0.103    11.046    2.738    2.738
LGA    H   171_A      H   171_A    10.075     0    0.536   0.635    18.005    3.690    1.476
LGA    I   172_A      I   172_A     4.677     0    0.116   0.752     6.666   22.024   35.298
LGA    D   173_A      D   173_A     5.188     0    0.030   1.215     5.833   25.119   33.988

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     844    844  100.00               126
SUMMARY(RMSD_GDC):    15.637         15.483                 16.649           20.078   17.339

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  133  126    4.0     31    1.90    23.413    21.445     1.549

LGA_LOCAL      RMSD:   1.901  Number of atoms:   31  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.322  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:  15.637  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.574849 * X  +  -0.249536 * Y  +  -0.779282 * Z  + -22.065632
  Y_new =  -0.815843 * X  +  -0.247918 * Y  +  -0.522433 * Z  + 117.474213
  Z_new =  -0.062832 * X  +   0.936092 * Y  +  -0.346098 * Z  +  58.689384 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.956985  0.062873  1.924936   [DEG:  -54.8312    3.6024  110.2907 ]
ZXZ: -0.980211  1.924205 -0.067021   [DEG:  -56.1620  110.2488   -3.8400 ]
 
# END of job
