
#######################################################
#                                                     #
#                        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  132 ( 1136),  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:    71       2_D - 72_D        4.92    24.73
  LCS_AVERAGE:     44.72

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58       2_D - 59_D        1.90    25.28
  LCS_AVERAGE:     30.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      30_D - 58_D        0.95    25.17
  LONGEST_CONTINUOUS_SEGMENT:    29      97_D - 125_D       0.86    21.91
  LCS_AVERAGE:     15.82

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     24   58   71     20   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     K     3_D     K     3_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     E     4_D     E     4_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     I     5_D     I     5_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     A     6_D     A     6_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     K     7_D     K     7_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     E     8_D     E     8_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     I     9_D     I     9_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     F    10_D     F    10_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     N    11_D     N    11_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     M    12_D     M    12_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     M    13_D     M    13_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     F    14_D     F    14_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     M    15_D     M    15_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     L    16_D     L    16_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     L    17_D     L    17_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     W    18_D     W    18_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     R    19_D     R    19_D     24   58   71     32   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     V    20_D     V    20_D     24   58   71     32   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     F    21_D     F    21_D     24   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     R    22_D     R    22_D     24   58   71     25   45   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     S    23_D     S    23_D     24   58   71      9   34   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     Q    24_D     Q    24_D     24   58   71     30   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     R    25_D     R    25_D     24   58   71      3    4   29   47   54   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     I    26_D     I    26_D      3   58   71      3    4   17   26   31   38   48   60   63   63   65   66   66   66   68   68   68   69   69   69 
LCS_GDT     D    27_D     D    27_D      4   58   71      3    4    4   10   18   28   50   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     A    28_D     A    28_D      4   58   71      3    4    4    6    8   12   17   22   43   62   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     N    29_D     N    29_D      4   58   71      3    4    4    6   12   44   58   60   62   62   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     N    30_D     N    30_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     V    31_D     V    31_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     E    32_D     E    32_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     L    33_D     L    33_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     I    34_D     I    34_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     K    35_D     K    35_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     F    36_D     F    36_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     N    37_D     N    37_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     I    38_D     I    38_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     R    39_D     R    39_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     V    40_D     V    40_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     L    41_D     L    41_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     D    42_D     D    42_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     W    43_D     W    43_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     I    44_D     I    44_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     M    45_D     M    45_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     A    46_D     A    46_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     E    47_D     E    47_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     A    48_D     A    48_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     D    49_D     D    49_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     N    50_D     N    50_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     D    51_D     D    51_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     L    52_D     L    52_D     29   58   71     40   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     C    53_D     C    53_D     29   58   71     38   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     Y    54_D     Y    54_D     29   58   71     30   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     F    55_D     F    55_D     29   58   71     32   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     I    56_D     I    56_D     29   58   71     18   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     G    57_D     G    57_D     29   58   71      3    4   13   20   39   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     T    58_D     T    58_D     29   58   71      3   33   43   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     H    59_D     H    59_D      6   58   71      3    8   17   34   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     D    60_D     D    60_D      6   38   71      3    5    6    8   14   22   40   51   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     K    61_D     K    61_D      6   38   71      3    5    8   16   22   32   48   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     C    62_D     C    62_D      6   38   71      3   15   50   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     E    63_D     E    63_D      6   38   71     38   48   51   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     N    64_D     N    64_D      4   38   71      3   15   40   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     P    65_D     P    65_D      4   38   71      3   34   49   53   55   58   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     K    66_D     K    66_D      4   38   71      3    4    6   16   36   56   59   60   63   63   65   66   66   67   68   68   68   69   69   69 
LCS_GDT     E    67_D     E    67_D      3    4   71      3    3    3    4   17   29   33   45   57   62   63   66   66   67   68   68   68   69   69   69 
LCS_GDT     Q    68_D     Q    68_D      3    4   71      0    3    3   11   19   24   27   31   38   47   54   63   66   67   68   68   68   69   69   69 
LCS_GDT     W    69_D     W    69_D      3    3   71      3    3    7   13   21   26   29   35   42   47   59   63   66   67   68   68   68   69   69   69 
LCS_GDT     V    70_D     V    70_D      3    3   71      3    4    5    6   10   22   23   26   31   34   36   39   45   49   56   61   66   69   69   69 
LCS_GDT     A    71_D     A    71_D      3    4   71      3    4    5    6    8   13   18   24   27   30   33   34   37   40   45   49   53   54   59   64 
LCS_GDT     N    72_D     N    72_D      4    6   71      3    4    5    5    9   12   17   22   27   30   33   34   37   40   45   49   53   54   58   63 
LCS_GDT     Y    73_D     Y    73_D      4    6   47      4    4    4    6    8   13   18   24   27   30   33   34   37   40   45   48   53   54   57   62 
LCS_GDT     Q    74_D     Q    74_D      4    6   14      4    4    4    4    7   12   14   19   24   27   29   33   35   37   39   42   45   48   52   54 
LCS_GDT     N    75_D     N    75_D      4    6   14      4    4    4    6    7   12   13   17   21   26   29   33   35   37   39   41   44   46   50   54 
LCS_GDT     L    76_D     L    76_D      4    6   14      4    4    4    6    8   12   14   19   24   26   29   33   35   37   39   42   44   48   51   54 
LCS_GDT     N    77_D     N    77_D      4    6   18      3    3    4    6    8   12   13   17   23   26   29   33   35   37   39   41   43   46   51   53 
LCS_GDT     N    78_D     N    78_D      4    5   18      3    3    4    5    6    9    9   12   18   22   24   29   34   35   39   41   42   49   51   53 
LCS_GDT     V    79_D     V    79_D      4    5   18      3    3    4    4    5    6    9   11   15   18   24   28   34   35   39   41   42   45   51   53 
LCS_GDT     V    80_D     V    80_D      3    5   18      3    4    4    4    5    6    9   12   15   17   23   26   36   40   41   44   47   49   51   53 
LCS_GDT     F    81_D     F    81_D      4    5   32      3    4    4    4    6    6    9   10   19   32   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     T    82_D     T    82_D      4    5   33      3    4    4    5    6    8   20   23   28   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     N    83_D     N    83_D      4    5   33      3    4    4    6    8   10   15   23   29   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     K    84_D     K    84_D      4    5   33      3    4    6    7    8   14   20   23   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     E    85_D     E    85_D      3    4   33      3    4    6    7    8   10   12   14   18   23   29   35   38   40   41   44   47   49   51   53 
LCS_GDT     L    86_D     L    86_D      4    6   33      3    4    4    5    6   10   12   15   19   23   26   29   33   40   41   44   47   49   51   53 
LCS_GDT     E    87_D     E    87_D      4    6   33      3    4    5    5    7   10   12   16   18   22   24   29   32   33   36   41   44   48   48   53 
LCS_GDT     D    88_D     D    88_D      4    6   38      3    3    5    5    7   10   12   16   18   22   24   29   32   34   38   44   47   49   51   53 
LCS_GDT     I    89_D     I    89_D      4    6   38      3    3    5    5    7   10   12   16   19   23   27   35   38   40   41   44   47   49   51   53 
LCS_GDT     Y    90_D     Y    90_D      3    6   38      3    3    3    4    6    8   12   16   18   21   24   29   32   34   38   44   47   49   51   53 
LCS_GDT     D    91_D     D    91_D      4    6   38      4    4    4    4    6    8   12   16   18   21   23   26   29   34   38   44   47   49   51   53 
LCS_GDT     L    92_D     L    92_D      4    4   38      4    4    4    4    4    5    9   14   17   21   24   29   32   34   40   44   46   49   51   53 
LCS_GDT     S    93_D     S    93_D      4    4   38      4    4    4    4    4    7   10   12   17   21   23   25   31   37   40   44   47   49   51   53 
LCS_GDT     N    94_D     N    94_D      4    4   38      4    4    4    4    6    8   12   16   24   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     K    95_D     K    95_D      7   31   38      5    6   11   19   26   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     E    96_D     E    96_D      7   31   38      5    6   10   16   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     E    97_D     E    97_D     29   31   38      5    5    9   23   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     T    98_D     T    98_D     29   31   38      5   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     K    99_D     K    99_D     29   31   38     19   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     E   100_D     E   100_D     29   31   38     19   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     V   101_D     V   101_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     L   102_D     L   102_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     K   103_D     K   103_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     K   104_D     K   104_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     F   105_D     F   105_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     K   106_D     K   106_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     E   107_D     E   107_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     K   108_D     K   108_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     V   109_D     V   109_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     N   110_D     N   110_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     Q   111_D     Q   111_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     F   112_D     F   112_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     Y   113_D     Y   113_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     R   114_D     R   114_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     H   115_D     H   115_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     A   116_D     A   116_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     F   117_D     F   117_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     D   118_D     D   118_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     I   119_D     I   119_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     I   120_D     I   120_D     29   31   38     12   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     N   121_D     N   121_D     29   31   38     12   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     K   122_D     K   122_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_GDT     Y   123_D     Y   123_D     29   31   38     19   27   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   48   50   53 
LCS_GDT     G   124_D     G   124_D     29   31   38     21   27   28   28   29   31   31   31   31   35   36   36   38   40   41   43   47   48   50   53 
LCS_GDT     L   125_D     L   125_D     29   31   38      3   14   28   28   29   31   31   31   31   35   36   36   38   40   41   44   47   49   51   53 
LCS_AVERAGE  LCS_A:  30.44  (  15.82   30.78   44.72 )

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     40     48     51     53     55     58     59     60     63     63     65     66     66     67     68     68     68     69     69     69 
GDT PERCENT_AT  32.26  38.71  41.13  42.74  44.35  46.77  47.58  48.39  50.81  50.81  52.42  53.23  53.23  54.03  54.84  54.84  54.84  55.65  55.65  55.65
GDT RMS_LOCAL    0.27   0.41   0.54   0.62   0.79   1.10   1.19   1.36   1.88   1.88   2.13   2.36   2.36   2.90   3.00   3.00   3.00   3.55   3.55   3.55
GDT RMS_ALL_AT  25.34  25.31  25.36  25.36  25.36  25.31  25.28  25.20  25.37  25.37  25.26  25.23  25.23  25.06  25.12  25.12  25.12  25.02  25.02  25.02

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  E    32_D      E    32_D
#   possible swapping detected:  F    36_D      F    36_D
#   possible swapping detected:  E    47_D      E    47_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  E    67_D      E    67_D
#   possible swapping detected:  Y    73_D      Y    73_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E    96_D      E    96_D
#   possible swapping detected:  E   100_D      E   100_D
#   possible swapping detected:  F   112_D      F   112_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     0.766     0    0.599   1.258     5.890   84.048   58.155
LGA    K     3_D      K     3_D     0.349     0    0.019   0.974     4.565   97.619   75.661
LGA    E     4_D      E     4_D     0.295     0    0.014   1.058     4.396  100.000   81.958
LGA    I     5_D      I     5_D     0.322     0    0.015   0.694     2.634  100.000   93.452
LGA    A     6_D      A     6_D     0.508     0    0.000   0.006     0.581   97.619   96.190
LGA    K     7_D      K     7_D     0.449     0    0.027   0.714     4.259   97.619   76.931
LGA    E     8_D      E     8_D     0.171     0    0.138   1.217     4.127  100.000   78.783
LGA    I     9_D      I     9_D     0.067     0    0.014   0.046     0.228  100.000  100.000
LGA    F    10_D      F    10_D     0.273     0    0.015   0.103     0.382  100.000  100.000
LGA    N    11_D      N    11_D     0.299     0    0.016   0.867     3.358  100.000   85.952
LGA    M    12_D      M    12_D     0.137     0    0.038   0.922     3.874  100.000   91.726
LGA    M    13_D      M    13_D     0.152     0    0.017   0.097     0.265  100.000  100.000
LGA    F    14_D      F    14_D     0.184     0    0.035   0.111     0.460  100.000  100.000
LGA    M    15_D      M    15_D     0.530     0    0.059   1.155     4.632   92.857   76.607
LGA    L    16_D      L    16_D     0.619     0    0.060   0.085     0.907   92.857   91.667
LGA    L    17_D      L    17_D     0.365     0    0.025   0.273     0.903   97.619   97.619
LGA    W    18_D      W    18_D     0.604     0    0.013   0.539     3.168   95.238   79.660
LGA    R    19_D      R    19_D     1.062     0    0.051   1.321     5.070   85.952   70.693
LGA    V    20_D      V    20_D     0.920     0    0.011   0.044     1.097   90.476   87.891
LGA    F    21_D      F    21_D     0.330     0    0.065   0.300     1.054  100.000   94.848
LGA    R    22_D      R    22_D     1.648     0    0.136   0.779     3.994   75.238   65.281
LGA    S    23_D      S    23_D     2.241     0    0.313   0.701     3.324   77.381   70.714
LGA    Q    24_D      Q    24_D     0.729     0    0.588   0.794     2.304   88.333   82.698
LGA    R    25_D      R    25_D     3.345     0    0.667   1.165    15.790   41.429   18.182
LGA    I    26_D      I    26_D     7.525     0    0.591   0.565    12.093   12.619    6.369
LGA    D    27_D      D    27_D     6.150     0    0.467   0.901     7.441   20.476   17.440
LGA    A    28_D      A    28_D     7.296     0    0.696   0.638     9.050   14.405   11.810
LGA    N    29_D      N    29_D     5.026     0    0.023   0.899     9.726   38.690   22.738
LGA    N    30_D      N    30_D     0.540     0    0.428   0.529     5.185   86.071   65.238
LGA    V    31_D      V    31_D     0.886     0    0.039   0.077     1.459   90.476   86.599
LGA    E    32_D      E    32_D     0.785     0    0.013   0.776     2.755   90.476   78.254
LGA    L    33_D      L    33_D     0.486     0    0.038   0.086     0.824   97.619   94.048
LGA    I    34_D      I    34_D     0.272     0    0.024   0.061     0.545  100.000   98.810
LGA    K    35_D      K    35_D     0.340     0    0.019   0.543     1.384  100.000   92.698
LGA    F    36_D      F    36_D     0.302     0    0.050   0.096     0.961  100.000   94.805
LGA    N    37_D      N    37_D     0.110     0    0.087   0.101     0.726  100.000   96.429
LGA    I    38_D      I    38_D     0.225     0    0.022   0.145     0.548  100.000   97.619
LGA    R    39_D      R    39_D     0.287     0    0.012   0.913     4.658  100.000   82.641
LGA    V    40_D      V    40_D     0.378     0    0.018   0.061     0.540  100.000   98.639
LGA    L    41_D      L    41_D     0.440     0    0.030   0.300     1.155  100.000   95.357
LGA    D    42_D      D    42_D     0.447     0    0.042   0.212     0.936  100.000   96.429
LGA    W    43_D      W    43_D     0.436     0    0.029   0.126     1.296  100.000   90.646
LGA    I    44_D      I    44_D     0.393     0    0.045   0.080     0.462  100.000  100.000
LGA    M    45_D      M    45_D     0.388     0    0.023   0.193     0.847  100.000   98.810
LGA    A    46_D      A    46_D     0.420     0    0.015   0.019     0.438  100.000  100.000
LGA    E    47_D      E    47_D     0.318     0    0.044   0.183     0.994  100.000   96.825
LGA    A    48_D      A    48_D     0.400     0    0.013   0.018     0.478  100.000  100.000
LGA    D    49_D      D    49_D     0.430     0    0.017   0.112     0.579  100.000   98.810
LGA    N    50_D      N    50_D     0.391     0    0.018   1.027     4.345  100.000   81.429
LGA    D    51_D      D    51_D     0.404     0    0.019   0.160     0.644   95.238   96.429
LGA    L    52_D      L    52_D     0.504     0    0.028   0.100     0.698   92.857   92.857
LGA    C    53_D      C    53_D     0.728     0    0.029   0.639     2.028   90.476   86.190
LGA    Y    54_D      Y    54_D     1.011     0    0.032   0.097     2.619   85.952   74.603
LGA    F    55_D      F    55_D     0.903     0    0.606   0.676     3.275   78.095   79.481
LGA    I    56_D      I    56_D     0.971     0    0.511   0.431     1.673   83.810   86.012
LGA    G    57_D      G    57_D     3.343     0    0.417   0.417     3.674   52.024   52.024
LGA    T    58_D      T    58_D     3.018     0    0.092   1.100     6.771   57.738   43.946
LGA    H    59_D      H    59_D     2.915     0    0.451   1.169     3.848   61.190   54.524
LGA    D    60_D      D    60_D     5.947     0    0.246   0.265    10.015   25.000   14.107
LGA    K    61_D      K    61_D     5.048     0    0.163   0.938    10.739   33.214   16.878
LGA    C    62_D      C    62_D     1.832     0    0.286   0.836     2.432   82.024   79.048
LGA    E    63_D      E    63_D     0.604     0    0.034   0.473     2.654   85.952   78.042
LGA    N    64_D      N    64_D     1.988     0    0.239   0.792     6.482   81.548   57.024
LGA    P    65_D      P    65_D     2.052     0    0.649   0.547     3.399   69.048   62.993
LGA    K    66_D      K    66_D     3.572     0    0.599   1.265    13.956   35.952   18.995
LGA    E    67_D      E    67_D     8.414     0    0.637   1.282    12.279    5.595    2.593
LGA    Q    68_D      Q    68_D    11.672     0    0.603   0.799    14.088    0.000    0.000
LGA    W    69_D      W    69_D    12.073     0    0.607   1.295    14.305    0.000    0.068
LGA    V    70_D      V    70_D    17.968     0    0.598   0.614    21.644    0.000    0.000
LGA    A    71_D      A    71_D    23.170     0    0.134   0.134    25.543    0.000    0.000
LGA    N    72_D      N    72_D    24.797     0    0.419   0.415    26.683    0.000    0.000
LGA    Y    73_D      Y    73_D    24.912     0    0.201   1.314    28.780    0.000    0.000
LGA    Q    74_D      Q    74_D    30.579     0    0.135   1.085    34.574    0.000    0.000
LGA    N    75_D      N    75_D    35.379     0    0.151   0.217    37.355    0.000    0.000
LGA    L    76_D      L    76_D    33.104     0    0.612   1.023    34.902    0.000    0.000
LGA    N    77_D      N    77_D    37.538     0    0.095   0.917    40.880    0.000    0.000
LGA    N    78_D      N    78_D    41.216     0    0.493   0.468    45.796    0.000    0.000
LGA    V    79_D      V    79_D    36.874     0    0.127   1.215    38.127    0.000    0.000
LGA    V    80_D      V    80_D    37.056     0    0.623   0.647    40.181    0.000    0.000
LGA    F    81_D      F    81_D    40.353     0    0.539   0.636    44.193    0.000    0.000
LGA    T    82_D      T    82_D    47.270     0    0.651   0.542    48.554    0.000    0.000
LGA    N    83_D      N    83_D    48.955     0    0.259   0.855    53.276    0.000    0.000
LGA    K    84_D      K    84_D    51.859     0    0.589   0.481    58.370    0.000    0.000
LGA    E    85_D      E    85_D    48.558     0    0.624   0.790    51.993    0.000    0.000
LGA    L    86_D      L    86_D    44.236     0    0.619   0.990    45.705    0.000    0.000
LGA    E    87_D      E    87_D    48.642     0    0.590   1.388    52.666    0.000    0.000
LGA    D    88_D      D    88_D    48.464     0    0.336   0.353    53.940    0.000    0.000
LGA    I    89_D      I    89_D    41.186     0    0.178   1.368    43.919    0.000    0.000
LGA    Y    90_D      Y    90_D    41.399     0    0.589   1.369    43.981    0.000    0.000
LGA    D    91_D      D    91_D    46.629     0    0.658   1.219    48.252    0.000    0.000
LGA    L    92_D      L    92_D    45.737     0    0.052   0.137    49.936    0.000    0.000
LGA    S    93_D      S    93_D    40.009     0    0.406   0.666    42.250    0.000    0.000
LGA    N    94_D      N    94_D    39.838     0    0.129   0.189    42.281    0.000    0.000
LGA    K    95_D      K    95_D    40.150     0    0.602   0.997    43.427    0.000    0.000
LGA    E    96_D      E    96_D    37.933     0    0.018   1.126    43.403    0.000    0.000
LGA    E    97_D      E    97_D    30.597     0    0.091   0.848    33.277    0.000    0.000
LGA    T    98_D      T    98_D    31.719     0    0.174   1.025    33.804    0.000    0.000
LGA    K    99_D      K    99_D    36.857     0    0.024   0.783    46.740    0.000    0.000
LGA    E   100_D      E   100_D    32.806     0    0.015   1.364    34.553    0.000    0.000
LGA    V   101_D      V   101_D    27.062     0    0.022   0.167    29.054    0.000    0.000
LGA    L   102_D      L   102_D    31.931     0    0.023   1.351    35.307    0.000    0.000
LGA    K   103_D      K   103_D    35.773     0    0.011   0.852    44.821    0.000    0.000
LGA    K   104_D      K   104_D    29.983     0    0.019   0.504    31.813    0.000    0.000
LGA    F   105_D      F   105_D    27.448     0    0.018   1.391    29.527    0.000    0.000
LGA    K   106_D      K   106_D    34.232     0    0.052   0.948    44.011    0.000    0.000
LGA    E   107_D      E   107_D    35.100     0    0.016   1.047    37.842    0.000    0.000
LGA    K   108_D      K   108_D    28.384     0    0.032   0.610    30.474    0.000    0.000
LGA    V   109_D      V   109_D    29.253     0    0.022   0.038    31.577    0.000    0.000
LGA    N   110_D      N   110_D    36.126     0    0.017   0.045    41.297    0.000    0.000
LGA    Q   111_D      Q   111_D    33.936     0    0.039   0.164    34.296    0.000    0.000
LGA    F   112_D      F   112_D    28.111     0    0.018   1.462    29.965    0.000    0.000
LGA    Y   113_D      Y   113_D    32.856     0    0.020   1.388    34.780    0.000    0.000
LGA    R   114_D      R   114_D    37.967     0    0.022   0.303    43.580    0.000    0.000
LGA    H   115_D      H   115_D    33.410     0    0.017   1.101    34.534    0.000    0.000
LGA    A   116_D      A   116_D    29.824     0    0.010   0.013    32.141    0.000    0.000
LGA    F   117_D      F   117_D    36.333     0    0.050   0.084    39.133    0.000    0.000
LGA    D   118_D      D   118_D    39.988     0    0.043   0.087    43.963    0.000    0.000
LGA    I   119_D      I   119_D    35.056     0    0.046   0.102    36.576    0.000    0.000
LGA    I   120_D      I   120_D    35.560     0    0.031   0.931    39.199    0.000    0.000
LGA    N   121_D      N   121_D    43.158     0    0.010   0.041    45.600    0.000    0.000
LGA    K   122_D      K   122_D    44.271     0    0.032   0.227    47.485    0.000    0.000
LGA    Y   123_D      Y   123_D    39.753     0    0.023   1.376    42.252    0.000    0.000
LGA    G   124_D      G   124_D    36.909     0    0.069   0.069    38.888    0.000    0.000
LGA    L   125_D      L   125_D    43.482     0    0.202   0.270    47.240    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):    15.554         15.558                 16.426           44.200   40.104

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     60    1.36    46.169    43.156     4.111

LGA_LOCAL      RMSD:   1.360  Number of atoms:   60  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.201  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  15.554  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.743629 * X  +   0.306317 * Y  +  -0.594294 * Z  + -10.590197
  Y_new =  -0.667416 * X  +   0.287379 * Y  +  -0.687000 * Z  + -39.204979
  Z_new =  -0.039652 * X  +   0.907515 * Y  +   0.418145 * Z  +  68.137222 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.731439  0.039663  1.139032   [DEG:  -41.9084    2.2725   65.2617 ]
ZXZ: -0.713171  1.139395 -0.043665   [DEG:  -40.8617   65.2825   -2.5018 ]
 
# END of job
