
#######################################################
#                                                     #
#                        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  126 ( 1076),  selected  124 , name one
# Molecule2: number of CA atoms  124 ( 1059),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:D  -ch2:D  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67       2_D - 68_D        4.84    25.92
  LCS_AVERAGE:     48.39

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58       2_D - 59_D        1.99    25.97
  LCS_AVERAGE:     31.03

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      95_D - 124_D       0.88    19.91
  LCS_AVERAGE:     15.45

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     D     2_D     D     2_D     23   58   67      8   19   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     K     3_D     K     3_D     23   58   67     14   32   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     E     4_D     E     4_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     I     5_D     I     5_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     A     6_D     A     6_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     K     7_D     K     7_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     E     8_D     E     8_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     I     9_D     I     9_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     F    10_D     F    10_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     N    11_D     N    11_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     M    12_D     M    12_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     M    13_D     M    13_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     F    14_D     F    14_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     M    15_D     M    15_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     L    16_D     L    16_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     L    17_D     L    17_D     23   58   67     12   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     W    18_D     W    18_D     23   58   67     13   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     R    19_D     R    19_D     23   58   67      6   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     V    20_D     V    20_D     23   58   67      7   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     F    21_D     F    21_D     23   58   67     12   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     R    22_D     R    22_D     23   58   67     14   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     S    23_D     S    23_D     23   58   67      4   16   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     Q    24_D     Q    24_D     23   58   67      4   22   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     R    25_D     R    25_D     23   58   67      4    5   27   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     I    26_D     I    26_D      5   58   67      4    5   27   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     D    27_D     D    27_D      5   58   67      3    5   36   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     A    28_D     A    28_D      5   58   67      4    4    5   13   31   49   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     N    29_D     N    29_D      5   58   67      4    4   22   29   43   52   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     N    30_D     N    30_D     25   58   67      4    8   20   39   46   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     V    31_D     V    31_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     E    32_D     E    32_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     L    33_D     L    33_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     I    34_D     I    34_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     K    35_D     K    35_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     F    36_D     F    36_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     N    37_D     N    37_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     I    38_D     I    38_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     R    39_D     R    39_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     V    40_D     V    40_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     L    41_D     L    41_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     D    42_D     D    42_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     W    43_D     W    43_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     I    44_D     I    44_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     M    45_D     M    45_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     A    46_D     A    46_D     25   58   67     16   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     E    47_D     E    47_D     25   58   67     10   33   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     A    48_D     A    48_D     25   58   67     10   30   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     D    49_D     D    49_D     25   58   67      9   30   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     N    50_D     N    50_D     25   58   67      9   30   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     D    51_D     D    51_D     25   58   67      9   22   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     L    52_D     L    52_D     25   58   67      5   20   32   46   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     C    53_D     C    53_D     25   58   67      5   17   36   46   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     Y    54_D     Y    54_D     25   58   67      3   14   22   30   38   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     F    55_D     F    55_D     23   58   67      3   14   22   30   34   50   55   57   58   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     I    56_D     I    56_D     21   58   67      3    8   21   33   46   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     G    57_D     G    57_D      5   58   67      3   21   40   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     T    58_D     T    58_D      4   58   67      3    3    4   48   51   53   56   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     H    59_D     H    59_D      4   58   67      3    3    6   13   30   45   50   53   58   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     D    60_D     D    60_D      4   33   67      4   10   31   39   45   50   53   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     K    61_D     K    61_D      4   33   67      4   13   28   39   42   46   53   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     C    62_D     C    62_D      4   33   67      4    4    7   19   36   46   53   57   59   61   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     E    63_D     E    63_D      4    7   67      4    4    6   10   17   30   35   48   54   60   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     N    64_D     N    64_D      4    7   67      3    3    7   18   28   32   35   47   54   60   63   63   63   64   64   65   65   65   65   65 
LCS_GDT     P    65_D     P    65_D      4    7   67      3    3    5   10   17   28   35   37   38   45   51   60   63   64   64   65   65   65   65   65 
LCS_GDT     K    66_D     K    66_D      4    6   67      1    3    4    8   16   29   35   37   38   39   43   49   54   58   64   65   65   65   65   65 
LCS_GDT     E    67_D     E    67_D      3    5   67      2    3    4    8   10   14   25   32   37   39   40   42   45   46   47   49   52   54   58   60 
LCS_GDT     Q    68_D     Q    68_D      3   13   67      0    3    4    7   10   14   15   25   30   37   40   42   45   46   47   49   50   51   54   54 
LCS_GDT     W    69_D     W    69_D      9   13   49      3    5   11   13   14   15   18   27   32   37   40   42   45   46   47   49   50   51   55   59 
LCS_GDT     V    70_D     V    70_D     11   13   49      3    6   11   13   14   15   18   25   30   33   40   42   45   46   47   49   50   50   52   57 
LCS_GDT     A    71_D     A    71_D     11   13   49      3   10   11   13   14   15   18   18   23   32   36   42   45   46   47   49   50   50   51   55 
LCS_GDT     N    72_D     N    72_D     11   13   49      4   10   11   13   14   15   18   24   30   33   39   42   45   46   47   49   51   53   55   59 
LCS_GDT     Y    73_D     Y    73_D     11   13   52      8   10   11   13   14   15   18   25   30   33   39   42   45   46   47   49   51   53   57   61 
LCS_GDT     Q    74_D     Q    74_D     11   13   52      8   10   11   13   14   15   18   19   23   32   36   42   45   46   47   49   51   53   57   61 
LCS_GDT     N    75_D     N    75_D     11   13   52      8   10   11   13   14   15   18   19   23   32   36   42   45   46   47   49   51   53   57   61 
LCS_GDT     L    76_D     L    76_D     11   13   52      8   10   11   13   14   15   18   19   23   32   36   42   46   48   50   52   54   54   57   61 
LCS_GDT     N    77_D     N    77_D     11   13   52      8   10   11   13   14   15   18   18   27   35   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     N    78_D     N    78_D     11   13   52      8   10   11   13   14   15   18   18   20   29   39   45   47   49   50   52   54   54   57   61 
LCS_GDT     V    79_D     V    79_D     11   13   52      8   10   11   13   14   15   18   18   19   22   26   36   45   48   50   52   54   54   57   61 
LCS_GDT     V    80_D     V    80_D     11   13   52      8   10   11   13   14   15   18   34   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     F    81_D     F    81_D      4   13   52      3    4   14   26   31   32   35   35   38   39   41   44   47   48   50   52   54   54   57   61 
LCS_GDT     T    82_D     T    82_D      4   12   52      3    4    4   13   18   26   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     N    83_D     N    83_D      4    4   52      3    6   16   27   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     K    84_D     K    84_D      4    4   52      3    7   16   27   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     E    85_D     E    85_D      3    4   52      3    4    4    4   11   17   25   32   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     L    86_D     L    86_D      4    6   52      3    4    5    6   10   12   16   21   27   34   41   45   47   49   50   52   54   54   57   61 
LCS_GDT     E    87_D     E    87_D      4    6   52      3    4    4    6   10   12   14   18   23   28   33   41   44   47   49   52   54   54   57   61 
LCS_GDT     D    88_D     D    88_D      4    6   52      3    3    5    7   10   12   18   22   30   36   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     I    89_D     I    89_D      4    6   52      3    3    5    8   14   25   34   34   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     Y    90_D     Y    90_D      3    6   52      3    3    3    7   10   12   15   23   33   38   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     D    91_D     D    91_D      4    6   52      4    4    4    7   10   12   15   21   28   37   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     L    92_D     L    92_D      4    5   52      4    4    4    4    5    7   10   18   27   35   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     S    93_D     S    93_D      4    5   52      4    4    4    4    5    9   12   18   27   36   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     N    94_D     N    94_D      4   32   52      4    4    5    8   10   25   34   34   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     K    95_D     K    95_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     E    96_D     E    96_D     30   32   52     11   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     E    97_D     E    97_D     30   32   52     11   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     T    98_D     T    98_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     K    99_D     K    99_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     E   100_D     E   100_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     V   101_D     V   101_D     30   32   52     14   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     L   102_D     L   102_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     K   103_D     K   103_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     K   104_D     K   104_D     30   32   52     11   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     F   105_D     F   105_D     30   32   52     11   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     K   106_D     K   106_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     E   107_D     E   107_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     K   108_D     K   108_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     V   109_D     V   109_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     N   110_D     N   110_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     Q   111_D     Q   111_D     30   32   52     11   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     F   112_D     F   112_D     30   32   52     11   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     Y   113_D     Y   113_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     R   114_D     R   114_D     30   32   52     11   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     H   115_D     H   115_D     30   32   52     11   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     A   116_D     A   116_D     30   32   52     11   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     F   117_D     F   117_D     30   32   52     11   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     D   118_D     D   118_D     30   32   52     11   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     I   119_D     I   119_D     30   32   52      9   17   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     I   120_D     I   120_D     30   32   52      6   18   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     N   121_D     N   121_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     K   122_D     K   122_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     Y   123_D     Y   123_D     30   32   52     15   25   29   29   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     G   124_D     G   124_D     30   32   52      3    4    8   27   32   32   35   35   38   39   42   45   47   49   50   52   54   54   57   61 
LCS_GDT     L   125_D     L   125_D      3   32   52      3    3    3   10   28   32   35   35   36   39   40   42   44   48   50   52   54   54   56   57 
LCS_AVERAGE  LCS_A:  31.62  (  15.45   31.03   48.39 )

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     16     33     40     48     51     53     56     57     59     61     63     63     63     64     64     65     65     65     65     65 
GDT PERCENT_AT  12.90  26.61  32.26  38.71  41.13  42.74  45.16  45.97  47.58  49.19  50.81  50.81  50.81  51.61  51.61  52.42  52.42  52.42  52.42  52.42
GDT RMS_LOCAL    0.30   0.66   0.84   1.15   1.27   1.40   1.68   1.77   2.05   2.25   2.61   2.61   2.61   2.90   2.90   3.29   3.29   3.29   3.29   3.29
GDT RMS_ALL_AT  26.11  26.22  26.14  26.15  26.08  26.06  25.93  25.89  26.08  26.09  26.11  26.11  26.11  26.10  26.10  26.06  26.06  26.06  26.06  26.06

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  E    85_D      E    85_D
#   possible swapping detected:  E    87_D      E    87_D
#   possible swapping detected:  Y    90_D      Y    90_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E    96_D      E    96_D
#   possible swapping detected:  E    97_D      E    97_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  E   107_D      E   107_D
#   possible swapping detected:  Y   113_D      Y   113_D
#   possible swapping detected:  D   118_D      D   118_D
#   possible swapping detected:  Y   123_D      Y   123_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     2.305     0    0.137   0.701     3.270   61.071   60.060
LGA    K     3_D      K     3_D     1.783     0    0.024   0.330     1.970   75.000   78.624
LGA    E     4_D      E     4_D     1.510     0    0.112   0.216     2.311   75.000   71.111
LGA    I     5_D      I     5_D     0.720     0    0.036   0.632     2.906   92.857   87.500
LGA    A     6_D      A     6_D     0.825     0    0.010   0.018     1.216   90.476   88.667
LGA    K     7_D      K     7_D     0.972     0    0.087   0.631     2.863   92.857   77.407
LGA    E     8_D      E     8_D     0.513     0    0.014   1.340     7.160   95.238   64.868
LGA    I     9_D      I     9_D     0.160     0    0.022   0.152     0.655  100.000   97.619
LGA    F    10_D      F    10_D     0.167     0    0.047   0.393     2.821  100.000   83.896
LGA    N    11_D      N    11_D     0.450     0    0.009   0.426     1.425   95.238   91.726
LGA    M    12_D      M    12_D     0.830     0    0.052   0.912     4.664   90.476   78.750
LGA    M    13_D      M    13_D     0.609     0    0.015   1.199     3.538   90.476   78.214
LGA    F    14_D      F    14_D     0.578     0    0.105   1.294     7.423   97.619   59.221
LGA    M    15_D      M    15_D     0.410     0    0.027   0.967     3.382   95.238   81.726
LGA    L    16_D      L    16_D     0.659     0    0.060   0.075     0.825   90.476   90.476
LGA    L    17_D      L    17_D     0.879     0    0.014   1.323     3.780   90.476   76.071
LGA    W    18_D      W    18_D     1.422     0    0.045   0.263     4.777   81.429   56.156
LGA    R    19_D      R    19_D     1.380     0    0.035   1.381     6.515   81.429   62.165
LGA    V    20_D      V    20_D     0.535     0    0.028   0.130     1.297   95.238   90.612
LGA    F    21_D      F    21_D     0.807     0    0.047   0.879     4.613   92.857   69.610
LGA    R    22_D      R    22_D     0.838     0    0.076   0.933     7.616   90.476   54.156
LGA    S    23_D      S    23_D     1.586     0    0.272   0.676     2.431   77.143   73.016
LGA    Q    24_D      Q    24_D     1.845     0    0.589   1.043     6.211   65.476   50.847
LGA    R    25_D      R    25_D     2.181     0    0.347   1.017    10.023   68.810   37.532
LGA    I    26_D      I    26_D     2.433     0    0.092   0.167     4.248   62.857   54.821
LGA    D    27_D      D    27_D     1.987     0    0.678   0.583     4.285   70.833   60.833
LGA    A    28_D      A    28_D     4.382     0    0.380   0.484     5.583   37.262   34.095
LGA    N    29_D      N    29_D     4.494     0    0.171   0.894     9.512   37.500   22.857
LGA    N    30_D      N    30_D     2.935     0    0.184   0.407     5.402   50.833   46.607
LGA    V    31_D      V    31_D     1.385     0    0.082   0.120     2.309   85.952   79.184
LGA    E    32_D      E    32_D     0.690     0    0.010   1.282     5.434   90.476   67.778
LGA    L    33_D      L    33_D     1.008     0    0.041   0.125     2.038   88.214   80.595
LGA    I    34_D      I    34_D     0.797     0    0.014   0.159     1.505   90.476   84.881
LGA    K    35_D      K    35_D     0.858     0    0.009   0.652     2.403   90.476   82.751
LGA    F    36_D      F    36_D     0.946     0    0.055   0.150     1.078   90.476   88.831
LGA    N    37_D      N    37_D     0.792     0    0.041   0.819     3.688   90.476   77.202
LGA    I    38_D      I    38_D     1.403     0    0.023   0.635     2.072   77.143   73.988
LGA    R    39_D      R    39_D     1.831     0    0.063   0.895     4.246   72.857   61.082
LGA    V    40_D      V    40_D     1.151     0    0.036   0.042     1.294   81.429   84.014
LGA    L    41_D      L    41_D     1.202     0    0.039   1.362     4.353   81.429   70.774
LGA    D    42_D      D    42_D     1.718     0    0.011   0.246     2.244   72.857   69.821
LGA    W    43_D      W    43_D     1.641     0    0.019   1.266     7.933   77.143   45.510
LGA    I    44_D      I    44_D     0.987     0    0.020   0.066     1.101   85.952   88.214
LGA    M    45_D      M    45_D     1.259     0    0.019   0.959     2.793   81.429   75.179
LGA    A    46_D      A    46_D     1.500     0    0.030   0.032     1.844   79.286   78.000
LGA    E    47_D      E    47_D     1.171     0    0.055   0.987     5.811   85.952   64.762
LGA    A    48_D      A    48_D     0.892     0    0.020   0.031     1.110   88.214   86.857
LGA    D    49_D      D    49_D     0.882     0    0.009   0.175     1.795   90.476   86.012
LGA    N    50_D      N    50_D     0.782     0    0.020   0.170     1.200   85.952   87.083
LGA    D    51_D      D    51_D     1.286     0    0.041   0.087     2.101   75.119   83.988
LGA    L    52_D      L    52_D     2.103     0    0.073   0.116     2.864   66.786   64.821
LGA    C    53_D      C    53_D     1.964     0    0.039   0.392     3.016   63.214   65.079
LGA    Y    54_D      Y    54_D     3.477     0    0.018   0.198     7.602   46.905   29.127
LGA    F    55_D      F    55_D     4.272     0    0.688   1.522    12.133   38.810   18.615
LGA    I    56_D      I    56_D     3.369     0    0.317   1.159     6.862   55.476   44.643
LGA    G    57_D      G    57_D     1.393     0    0.140   0.140     2.360   75.119   75.119
LGA    T    58_D      T    58_D     2.418     0    0.173   1.229     4.117   59.405   54.558
LGA    H    59_D      H    59_D     7.553     0    0.297   1.261    11.066   10.238    4.190
LGA    D    60_D      D    60_D     6.298     0    0.274   0.320     7.260   18.214   15.417
LGA    K    61_D      K    61_D     7.008     0    0.535   1.104     8.441    9.524    8.254
LGA    C    62_D      C    62_D     6.215     0    0.256   0.810     7.097   14.405   26.984
LGA    E    63_D      E    63_D     9.259     0    0.286   0.861    13.813    4.048    1.799
LGA    N    64_D      N    64_D     9.370     0    0.271   0.769    11.595    0.714    2.619
LGA    P    65_D      P    65_D    11.996     0    0.658   0.564    13.072    0.000    0.204
LGA    K    66_D      K    66_D    14.888     0    0.618   1.308    17.673    0.000    0.000
LGA    E    67_D      E    67_D    22.318     0    0.615   0.970    24.675    0.000    0.000
LGA    Q    68_D      Q    68_D    25.626     0    0.598   0.646    31.623    0.000    0.000
LGA    W    69_D      W    69_D    25.127     0    0.261   0.901    28.693    0.000    0.000
LGA    V    70_D      V    70_D    31.600     0    0.087   0.099    35.596    0.000    0.000
LGA    A    71_D      A    71_D    36.013     0    0.033   0.036    36.749    0.000    0.000
LGA    N    72_D      N    72_D    31.493     0    0.227   0.191    32.467    0.000    0.000
LGA    Y    73_D      Y    73_D    32.545     0    0.045   1.257    37.419    0.000    0.000
LGA    Q    74_D      Q    74_D    39.444     0    0.062   0.970    47.229    0.000    0.000
LGA    N    75_D      N    75_D    38.284     0    0.059   0.211    40.991    0.000    0.000
LGA    L    76_D      L    76_D    33.740     0    0.010   1.131    35.970    0.000    0.000
LGA    N    77_D      N    77_D    39.285     0    0.052   1.063    44.060    0.000    0.000
LGA    N    78_D      N    78_D    42.959     0    0.066   0.355    47.832    0.000    0.000
LGA    V    79_D      V    79_D    37.873     0    0.065   0.158    39.255    0.000    0.000
LGA    V    80_D      V    80_D    36.361     0    0.656   1.445    39.846    0.000    0.000
LGA    F    81_D      F    81_D    40.289     0    0.519   0.573    44.060    0.000    0.000
LGA    T    82_D      T    82_D    46.955     0    0.634   0.532    48.171    0.000    0.000
LGA    N    83_D      N    83_D    48.640     0    0.300   0.879    52.855    0.000    0.000
LGA    K    84_D      K    84_D    51.402     0    0.592   1.004    56.219    0.000    0.000
LGA    E    85_D      E    85_D    47.600     0    0.595   0.718    49.575    0.000    0.000
LGA    L    86_D      L    86_D    43.160     0    0.647   1.135    44.661    0.000    0.000
LGA    E    87_D      E    87_D    47.571     0    0.612   0.914    54.825    0.000    0.000
LGA    D    88_D      D    88_D    46.908     0    0.393   0.416    52.164    0.000    0.000
LGA    I    89_D      I    89_D    39.867     0    0.202   1.289    42.466    0.000    0.000
LGA    Y    90_D      Y    90_D    39.904     0    0.531   1.364    43.232    0.000    0.000
LGA    D    91_D      D    91_D    44.776     0    0.608   1.223    46.122    0.000    0.000
LGA    L    92_D      L    92_D    44.060     0    0.171   0.180    49.335    0.000    0.000
LGA    S    93_D      S    93_D    37.323     0    0.091   0.702    39.929    0.000    0.000
LGA    N    94_D      N    94_D    36.317     0    0.103   1.197    40.373    0.000    0.000
LGA    K    95_D      K    95_D    36.084     0    0.624   0.714    38.882    0.000    0.000
LGA    E    96_D      E    96_D    35.124     0    0.046   1.018    41.968    0.000    0.000
LGA    E    97_D      E    97_D    27.871     0    0.024   0.952    30.319    0.000    0.000
LGA    T    98_D      T    98_D    29.255     0    0.035   0.070    31.010    0.000    0.000
LGA    K    99_D      K    99_D    35.186     0    0.016   0.781    45.057    0.000    0.000
LGA    E   100_D      E   100_D    31.967     0    0.016   0.977    32.793    0.000    0.000
LGA    V   101_D      V   101_D    25.950     0    0.069   0.835    28.002    0.000    0.000
LGA    L   102_D      L   102_D    30.614     0    0.021   0.321    34.273    0.000    0.000
LGA    K   103_D      K   103_D    35.040     0    0.027   0.770    43.689    0.000    0.000
LGA    K   104_D      K   104_D    29.789     0    0.013   0.484    31.380    0.000    0.000
LGA    F   105_D      F   105_D    26.662     0    0.033   1.437    28.712    0.000    0.000
LGA    K   106_D      K   106_D    33.259     0    0.040   0.838    44.379    0.000    0.000
LGA    E   107_D      E   107_D    35.024     0    0.026   1.040    38.661    0.000    0.000
LGA    K   108_D      K   108_D    28.666     0    0.017   1.223    30.526    0.000    0.000
LGA    V   109_D      V   109_D    28.823     0    0.021   0.055    31.229    0.000    0.000
LGA    N   110_D      N   110_D    35.959     0    0.022   0.504    39.387    0.000    0.000
LGA    Q   111_D      Q   111_D    35.647     0    0.043   0.923    35.874    0.000    0.000
LGA    F   112_D      F   112_D    29.866     0    0.015   1.450    31.554    0.000    0.000
LGA    Y   113_D      Y   113_D    33.149     0    0.014   1.556    35.528    0.000    0.000
LGA    R   114_D      R   114_D    39.354     0    0.026   1.310    44.797    0.000    0.000
LGA    H   115_D      H   115_D    36.577     0    0.009   1.062    37.006    0.000    0.000
LGA    A   116_D      A   116_D    32.181     0    0.031   0.039    34.224    0.000    0.000
LGA    F   117_D      F   117_D    37.090     0    0.073   1.209    40.194    0.000    0.000
LGA    D   118_D      D   118_D    42.430     0    0.060   1.278    47.019    0.000    0.000
LGA    I   119_D      I   119_D    38.709     0    0.017   0.230    39.622    0.000    0.000
LGA    I   120_D      I   120_D    37.161     0    0.051   0.692    40.288    0.000    0.000
LGA    N   121_D      N   121_D    44.179     0    0.011   0.084    46.703    0.000    0.000
LGA    K   122_D      K   122_D    46.522     0    0.118   0.706    50.039    0.000    0.000
LGA    Y   123_D      Y   123_D    42.085     0    0.117   1.250    44.726    0.000    0.000
LGA    G   124_D      G   124_D    40.421     0    0.084   0.084    41.284    0.000    0.000
LGA    L   125_D      L   125_D    40.282     0    0.174   1.418    42.100    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    15.249         15.270                 15.980           36.849   32.316

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     57    1.77    40.927    39.895     3.052

LGA_LOCAL      RMSD:   1.768  Number of atoms:   57  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.893  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  15.249  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.539652 * X  +  -0.135740 * Y  +   0.830873 * Z  +  14.849699
  Y_new =   0.822760 * X  +  -0.294217 * Y  +   0.486315 * Z  + -34.786934
  Z_new =   0.178445 * X  +   0.946050 * Y  +   0.270457 * Z  +  60.179691 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.151311 -0.179405  1.292344   [DEG:  123.2610  -10.2792   74.0458 ]
ZXZ:  2.100341  1.296929  0.186430   [DEG:  120.3407   74.3086   10.6817 ]
 
# END of job
